#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3m s LYS 3 N 0.00 2.24 -0.06 1.61 1.02 -1.26 -1.45 119.74 121.84 2c3m s LYS 3 Ca 0.00 -1.23 -0.02 0.00 0.02 0.00 0.00 55.97 54.74 2c3m s LYS 3 Cb 0.00 -2.24 0.04 0.00 -0.52 0.00 0.00 37.83 35.11 2c3m s LYS 3 CO 0.00 0.43 0.12 0.21 -0.92 0.00 0.00 175.35 175.19 2c3m s LYS 4 N -3.02 0.03 -0.39 1.68 2.20 -0.25 -4.94 119.74 115.05 2c3m s LYS 4 Ca 0.27 0.38 -0.26 0.00 -0.36 0.00 0.00 55.97 55.99 2c3m s LYS 4 Cb -0.09 -0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.00 2c3m s LYS 4 CO 0.17 -0.21 0.95 -1.64 -0.36 0.00 0.00 175.35 174.26 2c3m s MET 5 N 1.50 3.80 0.08 4.03 -1.94 -1.26 -0.46 119.30 125.05 2c3m s MET 5 Ca -0.05 0.54 0.02 0.00 -1.71 0.00 0.00 55.69 54.49 2c3m s MET 5 Cb -0.12 -3.83 -0.04 0.00 2.01 0.00 0.00 34.83 32.86 2c3m s MET 5 CO -0.05 -1.02 -0.07 0.00 -0.01 0.00 0.00 175.02 173.87 2c3m s MET 6 N 3.60 0.74 -0.27 2.03 0.00 0.48 -4.97 119.30 120.92 2c3m s MET 6 Ca 0.39 -1.13 -0.07 0.00 0.00 0.00 0.00 55.69 54.88 2c3m s MET 6 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 34.83 34.42 2c3m s MET 6 CO 0.21 0.02 0.08 -0.08 0.00 0.00 0.00 175.02 175.24 2c3m s THR 7 N -2.74 4.21 0.32 3.16 -1.32 -1.26 -0.48 115.64 117.53 2c3m s THR 7 Ca 0.04 -0.37 -0.18 0.00 -1.21 0.00 0.00 61.69 59.97 2c3m s THR 7 Cb -0.01 -3.05 0.05 0.00 -1.51 0.00 0.00 72.50 67.99 2c3m s THR 7 CO -0.02 0.23 0.81 0.42 -2.21 0.00 0.00 174.62 173.85 2c3m s THR 8 N 1.58 0.00 0.55 5.08 -4.23 -0.87 -4.94 115.64 112.80 2c3m s THR 8 Ca 0.05 -0.94 0.07 0.00 -1.18 0.00 0.00 61.69 59.69 2c3m s THR 8 Cb -0.16 -2.61 0.07 0.00 1.34 0.00 0.00 72.50 71.13 2c3m s THR 8 CO 0.03 0.00 0.75 1.51 -0.54 0.00 0.00 174.62 176.38 2c3m s ASP 9 N -3.06 5.17 0.24 3.99 3.84 -1.26 -1.45 116.67 124.14 2c3m s ASP 9 Ca 0.15 -0.58 -0.05 0.00 -0.00 0.00 0.00 52.55 52.07 2c3m s ASP 9 Cb -0.05 -0.13 0.34 0.00 -1.38 0.00 0.00 42.92 41.70 2c3m s ASP 9 CO 0.09 -1.23 1.84 1.23 -0.00 0.00 0.00 175.17 177.11 2c3m h GLY 10 N 0.20 1.28 0.69 2.12 0.00 -1.17 -1.58 103.07 104.61 2c3m h GLY 10 Ca -0.35 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 46.64 2c3m h GLY 10 CO 0.43 0.24 -0.06 3.43 0.00 0.00 0.00 176.54 180.57 2c3m h ASN 11 N 0.93 -0.21 -0.14 0.19 -0.26 -1.58 -1.60 115.58 112.91 2c3m h ASN 11 Ca 0.38 0.05 -0.15 0.00 -0.56 0.00 0.00 56.30 56.01 2c3m h ASN 11 Cb 0.21 0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 2c3m h ASN 11 CO -0.19 -0.09 -0.46 0.71 -1.06 0.00 0.00 177.43 176.35 2c3m h THR 12 N -0.06 1.30 -0.71 2.81 1.35 -1.78 0.21 112.91 116.03 2c3m h THR 12 Ca 0.07 -1.65 0.01 0.00 -0.55 0.00 0.00 66.41 64.29 2c3m h THR 12 Cb 0.16 1.58 -0.04 0.00 -1.73 0.00 0.00 68.15 68.12 2c3m h THR 12 CO -0.15 0.53 0.47 0.00 -0.25 0.00 0.00 175.52 176.11 2c3m h ALA 13 N 0.93 0.91 -0.13 6.62 0.00 -1.16 0.78 119.26 127.22 2c3m h ALA 13 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2c3m h ALA 13 Cb 1.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2c3m h ALA 13 CO 0.09 0.30 -0.13 1.15 0.00 0.00 0.00 179.25 180.66 2c3m h THR 14 N 0.94 1.35 -0.35 0.00 2.02 -1.15 -3.12 112.91 112.60 2c3m h THR 14 Ca 0.27 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 66.18 2c3m h THR 14 Cb -0.07 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2c3m h THR 14 CO -0.07 0.37 0.23 0.00 0.37 0.00 0.00 175.52 176.42 2c3m h ALA 15 N 0.60 1.77 -0.35 6.16 0.00 -0.66 -0.21 119.26 126.57 2c3m h ALA 15 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2c3m h ALA 15 Cb 0.65 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2c3m h ALA 15 CO 0.03 0.20 -0.05 1.25 0.00 0.00 0.00 179.25 180.69 2c3m h HIS 16 N 0.46 -0.11 -0.05 0.00 6.17 -0.79 0.20 115.15 121.03 2c3m h HIS 16 Ca 0.13 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.17 2c3m h HIS 16 Cb -0.02 0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.01 2c3m h HIS 16 CO -0.00 -0.11 -0.24 0.28 0.71 0.00 0.00 177.93 178.56 2c3m h VAL 17 N 0.04 1.46 -0.91 5.26 2.07 -1.34 -3.16 116.25 119.67 2c3m h VAL 17 Ca 0.17 -1.71 0.09 0.00 0.82 0.00 0.00 66.70 66.07 2c3m h VAL 17 Cb 0.25 2.43 -0.07 0.00 -1.52 0.00 0.00 31.29 32.37 2c3m h VAL 17 CO -0.32 0.48 0.55 0.00 0.02 0.00 0.00 177.57 178.30 2c3m h ALA 18 N 0.39 1.30 -0.46 1.67 0.00 -0.87 -1.13 119.26 120.16 2c3m h ALA 18 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2c3m h ALA 18 Cb 0.91 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2c3m h ALA 18 CO 0.05 0.21 0.23 -0.92 0.00 0.00 0.00 179.25 178.82 2c3m h TYR 19 N 0.93 0.66 -0.67 0.00 3.20 -1.03 -2.42 116.97 117.64 2c3m h TYR 19 Ca 0.43 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.20 2c3m h TYR 19 Cb 0.34 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 2c3m h TYR 19 CO -0.03 0.52 0.14 0.00 -1.64 0.00 0.00 178.16 177.15 2c3m h ALA 20 N 1.08 0.99 -0.12 1.82 0.00 -1.27 -3.20 119.26 118.56 2c3m h ALA 20 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2c3m h ALA 20 Cb 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2c3m h ALA 20 CO -0.02 0.65 0.00 -1.33 0.00 0.00 0.00 179.25 178.55 2c3m n MET 21 N -4.23 1.76 -4.37 0.00 2.81 -0.52 -1.44 117.12 111.13 2c3m n MET 21 Ca 0.05 -1.13 -0.24 0.00 -1.81 0.00 0.00 57.70 54.56 2c3m n MET 21 Cb 0.27 -1.43 -0.12 0.00 -0.71 0.00 0.00 33.22 31.23 2c3m n MET 21 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2c3m s SER 22 N -1.73 3.00 -0.15 7.83 0.01 -0.92 -4.87 113.70 116.87 2c3m s SER 22 Ca 0.34 -0.85 0.09 0.00 1.31 0.00 0.00 55.95 56.84 2c3m s SER 22 Cb 0.19 -0.20 -0.15 0.00 0.21 0.00 0.00 66.02 66.07 2c3m s SER 22 CO 0.29 0.04 -0.02 -0.62 0.41 0.00 0.00 173.24 173.34 2c3m n GLU 23 N 0.37 1.28 -4.19 12.44 1.02 -0.32 -4.80 120.64 126.45 2c3m n GLU 23 Ca -0.14 0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 2c3m n GLU 23 Cb 0.56 -1.36 -0.13 0.00 -0.02 0.00 0.00 31.44 30.50 2c3m n GLU 23 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2c3m s VAL 24 N -2.34 0.81 -0.09 2.62 1.01 -0.64 -1.55 120.40 120.22 2c3m s VAL 24 Ca -0.13 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 2c3m s VAL 24 Cb 0.05 -0.78 0.05 0.00 0.00 0.00 0.00 36.38 35.69 2c3m s VAL 24 CO 0.51 -0.16 0.19 0.00 0.00 0.00 0.00 175.10 175.64 2c3m s ALA 25 N -1.02 -0.30 -0.21 5.51 0.00 0.21 -1.61 121.76 124.35 2c3m s ALA 25 Ca -0.03 0.70 -0.05 0.00 0.00 0.00 0.00 51.96 52.58 2c3m s ALA 25 Cb -0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 2c3m s ALA 25 CO 0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 175.76 175.29 2c3m s ALA 26 N 2.00 2.94 0.31 0.00 0.00 -1.20 -1.69 121.76 124.10 2c3m s ALA 26 Ca -0.01 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.89 2c3m s ALA 26 Cb -0.12 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 2c3m s ALA 26 CO -0.07 -0.31 0.10 0.96 0.00 0.00 0.00 175.76 176.44 2c3m s ILE 27 N 1.28 0.75 -0.21 0.00 -4.36 -0.34 -4.64 121.20 113.67 2c3m s ILE 27 Ca 0.04 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.25 2c3m s ILE 27 Cb -0.15 -2.64 0.06 0.00 1.25 0.00 0.00 42.46 40.99 2c3m s ILE 27 CO 0.00 0.00 0.55 -0.47 0.24 0.00 0.00 174.94 175.26 2c3m s TYR 28 N -3.51 -0.66 0.26 1.37 5.04 -1.26 -1.35 117.35 117.24 2c3m s TYR 28 Ca 0.35 1.52 -0.30 0.00 -2.44 0.00 0.00 57.07 56.21 2c3m s TYR 28 Cb 0.07 0.26 -0.09 0.00 0.35 0.00 0.00 41.96 42.55 2c3m s TYR 28 CO 0.15 -0.32 1.01 -1.25 -1.34 0.00 0.00 175.55 173.79 2c3m s PRO 29 N 0.60 4.75 -0.29 4.97 0.04 -1.26 -4.86 135.00 138.95 2c3m s PRO 29 Ca -0.03 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.48 2c3m s PRO 29 Cb -0.05 -3.21 0.12 0.00 0.04 0.00 0.00 34.50 31.40 2c3m s PRO 29 CO -0.04 0.37 0.86 -1.50 0.04 0.00 0.00 177.00 176.73 2c3m s ILE 30 N -1.19 -0.12 0.36 0.56 2.07 -1.26 -4.99 121.20 116.63 2c3m s ILE 30 Ca 0.43 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.39 2c3m s ILE 30 Cb -0.28 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.21 2c3m s ILE 30 CO 0.36 0.00 1.34 -0.89 -1.91 0.00 0.00 174.94 173.84 2c3m s THR 31 N 1.65 2.55 -0.37 4.00 2.01 -1.26 -0.70 115.64 123.52 2c3m s THR 31 Ca -0.09 0.53 0.08 0.00 0.31 0.00 0.00 61.69 62.52 2c3m s THR 31 Cb -0.05 -3.33 0.68 0.00 0.01 0.00 0.00 72.50 69.81 2c3m s THR 31 CO -0.17 0.12 1.80 -0.81 -0.69 0.00 0.00 174.62 174.86 2c3m n PRO 32 N 0.55 2.86 0.00 4.92 -0.04 -1.26 -4.90 135.00 137.14 2c3m n PRO 32 Ca 0.01 -3.06 0.11 0.00 -0.04 0.00 0.00 63.50 60.52 2c3m n PRO 32 Cb 0.42 -2.14 0.05 0.00 -0.04 0.00 0.00 33.50 31.78 2c3m n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2c3m n SER 33 N -0.70 0.72 -0.32 3.54 3.41 0.12 -4.51 113.62 115.89 2c3m n SER 33 Ca 0.47 -0.55 0.18 0.00 -0.26 0.00 0.00 58.87 58.70 2c3m n SER 33 Cb 1.45 0.69 0.37 0.00 -0.26 0.00 0.00 64.21 66.46 2c3m n SER 33 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2c3m h SER 34 N 0.00 0.26 -0.97 4.04 0.02 -1.75 -1.97 113.55 113.18 2c3m h SER 34 Ca 0.00 0.19 0.17 0.00 -0.84 0.00 0.00 61.79 61.31 2c3m h SER 34 Cb 0.55 0.20 -0.10 0.00 0.14 0.00 0.00 62.40 63.18 2c3m h SER 34 CO 0.00 -0.13 0.58 0.74 -1.14 0.00 0.00 176.83 176.88 2c3m h THR 35 N 0.29 0.73 0.10 -2.27 2.02 -1.90 -2.48 112.91 109.40 2c3m h THR 35 Ca 0.63 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.55 2c3m h THR 35 Cb 1.34 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2c3m h THR 35 CO -0.62 0.14 -0.05 0.24 0.37 0.00 0.00 175.52 175.60 2c3m h MET 36 N 0.76 -0.12 -0.71 6.66 2.86 -1.63 0.83 114.93 123.59 2c3m h MET 36 Ca 0.55 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 58.16 2c3m h MET 36 Cb 0.80 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 2c3m h MET 36 CO -0.37 -0.08 0.32 0.78 1.06 0.00 0.00 176.91 178.62 2c3m h GLY 37 N -0.13 1.09 1.23 8.32 0.00 -1.62 -0.67 103.07 111.29 2c3m h GLY 37 Ca -0.01 -0.54 -0.17 0.00 0.00 0.00 0.00 47.33 46.61 2c3m h GLY 37 CO 0.02 0.51 -0.49 0.83 0.00 0.00 0.00 176.54 177.41 2c3m h GLU 38 N 1.01 0.82 -0.42 4.80 5.08 -1.24 -1.28 114.58 123.35 2c3m h GLU 38 Ca 0.24 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2c3m h GLU 38 Cb 0.13 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2c3m h GLU 38 CO -0.03 1.12 0.21 0.93 -1.00 0.00 0.00 179.01 180.24 2c3m h GLU 39 N 0.65 0.60 -0.77 2.33 4.39 -0.55 -1.31 114.58 119.91 2c3m h GLU 39 Ca 0.03 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.70 2c3m h GLU 39 Cb 1.08 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.56 2c3m h GLU 39 CO 0.11 0.50 0.47 0.00 -1.16 0.00 0.00 179.01 178.93 2c3m h ALA 40 N 1.06 1.03 -0.49 3.43 0.00 -0.92 -0.86 119.26 122.51 2c3m h ALA 40 Ca 0.15 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2c3m h ALA 40 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2c3m h ALA 40 CO -0.02 0.21 -0.08 0.22 0.00 0.00 0.00 179.25 179.58 2c3m h ASP 41 N 0.87 0.87 -0.04 0.00 1.82 -0.88 -1.63 116.42 117.43 2c3m h ASP 41 Ca 0.33 -0.26 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2c3m h ASP 41 Cb 0.13 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 39.90 2c3m h ASP 41 CO -0.16 0.98 0.02 0.44 -1.61 0.00 0.00 179.24 178.91 2c3m h ASP 42 N 0.80 0.05 -0.77 2.28 3.32 -0.55 -2.32 116.42 119.23 2c3m h ASP 42 Ca 0.14 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2c3m h ASP 42 Cb 0.59 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 2c3m h ASP 42 CO 0.04 0.16 0.43 -0.50 -1.72 0.00 0.00 179.24 177.66 2c3m h TRP 43 N -0.06 1.06 -0.26 4.55 6.55 -1.02 -0.46 115.95 126.31 2c3m h TRP 43 Ca 0.01 -0.02 -0.05 0.00 0.95 0.00 0.00 58.89 59.78 2c3m h TRP 43 Cb 0.13 -0.34 -0.01 0.00 -0.86 0.00 0.00 29.16 28.07 2c3m h TRP 43 CO -0.03 0.73 -0.07 0.00 -1.05 0.00 0.00 178.44 178.02 2c3m h ALA 44 N 1.39 1.40 -0.05 1.49 0.00 -1.17 0.09 119.26 122.41 2c3m h ALA 44 Ca 0.28 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2c3m h ALA 44 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2c3m h ALA 44 CO -0.05 0.41 -0.71 0.00 0.00 0.00 0.00 179.25 178.91 2c3m h ALA 45 N 1.54 0.70 0.00 0.00 0.00 -0.71 -2.61 119.26 118.18 2c3m h ALA 45 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2c3m h ALA 45 Cb 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2c3m h ALA 45 CO 0.02 0.79 0.00 1.04 0.00 0.00 0.00 179.25 181.10 2c3m n GLN 46 N -3.80 0.94 -1.01 0.00 6.02 -0.28 -4.88 117.38 114.37 2c3m n GLN 46 Ca -0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2c3m n GLN 46 Cb 0.69 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 30.47 2c3m n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2c3m n GLY 47 N 0.87 0.45 3.75 1.08 0.00 -0.81 -5.00 105.19 105.53 2c3m n GLY 47 Ca 0.22 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2c3m n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2c3m s ARG 48 N -1.17 4.11 -0.01 1.61 3.52 -0.05 -4.86 118.95 122.10 2c3m s ARG 48 Ca 0.00 2.61 -0.03 0.00 -0.13 0.00 0.00 55.73 58.18 2c3m s ARG 48 Cb 0.00 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 2c3m s ARG 48 CO 0.00 -0.65 0.18 0.15 -0.81 0.00 0.00 175.30 174.17 2c3m s LYS 49 N -0.53 3.44 0.10 5.12 -0.14 -1.26 -4.17 119.74 122.29 2c3m s LYS 49 Ca 0.64 -0.32 -0.01 0.00 -1.36 0.00 0.00 55.97 54.92 2c3m s LYS 49 Cb -0.48 -3.10 0.02 0.00 -1.68 0.00 0.00 37.83 32.59 2c3m s LYS 49 CO 0.49 0.68 0.13 0.27 -0.76 0.00 0.00 175.35 176.15 2c3m n ASN 50 N 0.96 0.08 0.04 2.83 0.23 0.11 -4.82 115.26 114.69 2c3m n ASN 50 Ca -0.11 -1.09 0.05 0.00 -0.53 0.00 0.00 54.58 52.90 2c3m n ASN 50 Cb 0.53 -0.09 0.23 0.00 -2.08 0.00 0.00 39.78 38.36 2c3m n ASN 50 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2c3m n ILE 51 N -1.87 1.44 0.40 1.53 -5.35 -0.52 -0.69 119.36 114.30 2c3m n ILE 51 Ca 0.02 0.44 0.12 0.00 -0.27 0.00 0.00 62.75 63.05 2c3m n ILE 51 Cb 0.07 -1.36 0.24 0.00 -1.74 0.00 0.00 39.64 36.86 2c3m n ILE 51 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2c3m n PHE 52 N -1.69 0.50 -1.09 4.28 3.01 -1.26 -4.93 117.46 116.28 2c3m n PHE 52 Ca 0.01 -0.25 -0.03 0.00 1.01 0.00 0.00 57.45 58.19 2c3m n PHE 52 Cb 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.53 2c3m n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c3m n GLY 53 N 1.46 0.62 3.60 1.37 0.00 0.13 -5.02 105.19 107.35 2c3m n GLY 53 Ca 0.19 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 2c3m n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3m s GLN 54 N -1.62 2.14 0.25 1.61 -1.52 -1.26 -4.74 119.66 114.53 2c3m s GLN 54 Ca 0.00 -1.40 -0.20 0.00 -1.95 0.00 0.00 55.36 51.81 2c3m s GLN 54 Cb 0.00 -2.12 -0.09 0.00 -0.22 0.00 0.00 33.01 30.58 2c3m s GLN 54 CO 0.00 0.39 0.77 0.95 -0.25 0.00 0.00 175.29 177.14 2c3m s THR 55 N -2.11 4.51 0.30 -0.19 -4.23 -1.26 0.05 115.64 112.71 2c3m s THR 55 Ca 0.29 1.35 -0.29 0.00 -1.18 0.00 0.00 61.69 61.86 2c3m s THR 55 Cb -0.07 -3.86 -0.10 0.00 1.34 0.00 0.00 72.50 69.81 2c3m s THR 55 CO 0.18 0.15 1.44 -0.22 -0.54 0.00 0.00 174.62 175.63 2c3m s LEU 56 N -2.09 4.38 -0.48 4.79 2.96 -1.26 -4.94 118.68 122.04 2c3m s LEU 56 Ca 0.45 2.78 -0.21 0.00 -0.22 0.00 0.00 54.13 56.94 2c3m s LEU 56 Cb -0.16 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.93 2c3m s LEU 56 CO 0.21 -0.72 0.68 -0.89 -1.32 0.00 0.00 176.35 174.31 2c3m s THR 57 N -0.48 4.77 -0.09 3.68 2.01 -0.59 -4.90 115.64 120.04 2c3m s THR 57 Ca 0.56 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.51 2c3m s THR 57 Cb -0.43 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 67.77 2c3m s THR 57 CO 0.50 -0.75 -0.18 -0.63 -0.69 0.00 0.00 174.62 172.86 2c3m s ILE 58 N 2.93 2.66 -0.01 1.82 1.01 -1.26 -0.62 121.20 127.74 2c3m s ILE 58 Ca 0.21 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.03 2c3m s ILE 58 Cb -0.16 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2c3m s ILE 58 CO 0.16 0.56 -0.01 -0.13 0.00 0.00 0.00 174.94 175.52 2c3m s ARG 59 N -0.06 0.18 -0.15 2.79 1.81 -0.68 -5.00 118.95 117.83 2c3m s ARG 59 Ca -0.04 -0.03 -0.15 0.00 -1.72 0.00 0.00 55.73 53.79 2c3m s ARG 59 Cb -0.14 -0.22 -0.05 0.00 -0.45 0.00 0.00 34.95 34.09 2c3m s ARG 59 CO 0.04 0.00 0.32 -2.00 -0.68 0.00 0.00 175.30 172.99 2c3m s GLU 60 N 0.19 4.26 0.26 3.54 2.12 -1.26 -1.20 118.70 126.61 2c3m s GLU 60 Ca -0.02 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.49 2c3m s GLU 60 Cb -0.04 -3.42 0.05 0.00 0.26 0.00 0.00 34.13 30.98 2c3m s GLU 60 CO -0.01 0.23 0.36 -1.33 -0.54 0.00 0.00 175.26 173.97 2c3m n MET 61 N 3.57 0.61 0.10 4.30 2.81 -0.46 -4.94 117.12 123.11 2c3m n MET 61 Ca -0.11 -1.18 0.12 0.00 -1.81 0.00 0.00 57.70 54.72 2c3m n MET 61 Cb 0.52 -0.17 0.25 0.00 -0.71 0.00 0.00 33.22 33.10 2c3m n MET 61 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 2c3m h GLN 62 N 0.00 0.00 -2.29 0.03 -0.00 -1.93 -3.47 115.11 107.45 2c3m h GLN 62 Ca -0.12 0.00 0.23 0.00 -0.00 0.00 0.00 58.65 58.76 2c3m h GLN 62 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.92 2c3m h GLN 62 CO 0.15 0.00 0.68 -1.54 -0.00 0.00 0.00 178.83 178.12 2c3m s SER 63 N -4.66 -0.02 0.36 0.06 1.04 -1.26 -2.50 113.70 106.72 2c3m s SER 63 Ca 0.08 -0.47 0.18 0.00 0.48 0.00 0.00 55.95 56.21 2c3m s SER 63 Cb 0.12 0.38 0.64 0.00 0.10 0.00 0.00 66.02 67.26 2c3m s SER 63 CO 0.67 -0.74 1.72 -0.33 0.98 0.00 0.00 173.24 175.55 2c3m h GLU 64 N 2.00 0.00 -0.56 4.02 3.07 -1.92 -0.43 114.58 120.76 2c3m h GLU 64 Ca -0.26 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.51 2c3m h GLU 64 Cb 1.21 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.10 2c3m h GLU 64 CO 0.33 0.40 -0.01 0.00 -1.40 0.00 0.00 179.01 178.33 2c3m h ALA 65 N 1.60 0.91 -0.31 3.43 0.00 -1.86 0.89 119.26 123.92 2c3m h ALA 65 Ca -0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2c3m h ALA 65 Cb 0.91 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2c3m h ALA 65 CO 0.05 0.65 -0.41 0.78 0.00 0.00 0.00 179.25 180.32 2c3m h GLY 66 N 0.99 0.90 1.02 0.00 0.00 -1.78 -2.07 103.07 102.13 2c3m h GLY 66 Ca 0.16 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 46.49 2c3m h GLY 66 CO 0.03 0.88 0.41 0.00 0.00 0.00 0.00 176.54 177.85 2c3m h ALA 67 N 0.70 1.02 -0.38 3.60 0.00 -0.79 -1.21 119.26 122.20 2c3m h ALA 67 Ca 0.04 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2c3m h ALA 67 Cb 1.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2c3m h ALA 67 CO 0.10 0.56 -0.18 0.00 0.00 0.00 0.00 179.25 179.73 2c3m h ALA 68 N 1.21 0.97 -0.48 0.00 0.00 -0.73 -0.31 119.26 119.92 2c3m h ALA 68 Ca 0.28 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2c3m h ALA 68 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2c3m h ALA 68 CO -0.04 0.60 -0.18 0.78 0.00 0.00 0.00 179.25 180.41 2c3m h GLY 69 N 0.98 1.03 1.55 0.00 0.00 -0.98 -0.73 103.07 104.92 2c3m h GLY 69 Ca 0.10 -0.88 -0.13 0.00 0.00 0.00 0.00 47.33 46.42 2c3m h GLY 69 CO 0.05 0.80 -0.41 0.00 0.00 0.00 0.00 176.54 176.98 2c3m h ALA 70 N 0.95 0.89 -0.37 3.60 0.00 -1.00 -1.00 119.26 122.34 2c3m h ALA 70 Ca 0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2c3m h ALA 70 Cb 0.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2c3m h ALA 70 CO 0.06 0.64 0.02 0.28 0.00 0.00 0.00 179.25 180.24 2c3m h VAL 71 N 0.41 1.25 -0.39 0.00 2.07 -0.84 -0.44 116.25 118.32 2c3m h VAL 71 Ca 0.03 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.63 2c3m h VAL 71 Cb 0.89 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2c3m h VAL 71 CO 0.08 0.32 0.22 -0.74 0.02 0.00 0.00 177.57 177.46 2c3m h HIS 72 N 0.46 0.40 -0.41 1.57 6.17 -0.92 -1.31 115.15 121.11 2c3m h HIS 72 Ca 0.11 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 2c3m h HIS 72 Cb 0.44 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 30.22 2c3m h HIS 72 CO 0.03 0.23 0.19 0.78 0.71 0.00 0.00 177.93 179.87 2c3m h GLY 73 N 0.44 0.64 1.00 5.26 0.00 -0.94 0.14 103.07 109.61 2c3m h GLY 73 Ca 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2c3m h GLY 73 CO -0.09 0.31 0.32 0.00 0.00 0.00 0.00 176.54 177.08 2c3m h ALA 74 N 1.04 0.82 -0.38 3.60 0.00 -0.88 -0.80 119.26 122.67 2c3m h ALA 74 Ca 0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2c3m h ALA 74 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2c3m h ALA 74 CO -0.02 0.37 0.04 -0.07 0.00 0.00 0.00 179.25 179.57 2c3m h LEU 75 N 0.88 0.63 -1.51 0.00 3.38 -1.09 -0.96 115.31 116.62 2c3m h LEU 75 Ca 0.22 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2c3m h LEU 75 Cb 0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2c3m h LEU 75 CO -0.03 0.75 0.38 0.00 0.09 0.00 0.00 178.44 179.63 2c3m h ALA 76 N 0.90 1.74 -0.44 1.53 0.00 -0.71 -1.30 119.26 120.98 2c3m h ALA 76 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2c3m h ALA 76 Cb 0.41 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2c3m h ALA 76 CO 0.01 0.19 0.12 0.00 0.00 0.00 0.00 179.25 179.57 2c3m n ALA 77 N -2.47 3.69 -1.46 0.00 0.00 -0.33 -0.72 120.51 119.22 2c3m n ALA 77 Ca 0.07 -1.39 -0.05 0.00 0.00 0.00 0.00 53.44 52.08 2c3m n ALA 77 Cb 0.16 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 2c3m n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3m n GLY 78 N 0.13 0.55 3.48 0.00 0.00 -0.49 -4.75 105.19 104.11 2c3m n GLY 78 Ca 0.23 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 2c3m n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m s ALA 79 N -2.20 2.86 0.07 4.61 0.00 -0.41 -4.76 121.76 121.93 2c3m s ALA 79 Ca 0.00 -0.86 -0.31 0.00 0.00 0.00 0.00 51.96 50.79 2c3m s ALA 79 Cb 0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 23.12 21.69 2c3m s ALA 79 CO 0.00 0.32 1.60 -0.51 0.00 0.00 0.00 175.76 177.18 2c3m s LEU 80 N 0.04 4.36 0.08 0.00 1.43 -1.26 -3.85 118.68 119.47 2c3m s LEU 80 Ca -0.02 2.44 0.06 0.00 -1.03 0.00 0.00 54.13 55.58 2c3m s LEU 80 Cb -0.14 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 2c3m s LEU 80 CO 0.03 -0.85 -0.16 -0.89 0.23 0.00 0.00 176.35 174.71 2c3m s THR 81 N 2.47 1.25 0.16 5.49 2.01 -1.26 -1.17 115.64 124.59 2c3m s THR 81 Ca 0.72 -1.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 2c3m s THR 81 Cb -0.39 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 2c3m s THR 81 CO 0.31 -0.19 0.15 0.28 -0.69 0.00 0.00 174.62 174.48 2c3m s THR 82 N -1.26 0.07 0.19 -0.82 -1.32 -0.63 -2.82 115.64 109.04 2c3m s THR 82 Ca 0.00 -1.77 -0.16 0.00 -1.21 0.00 0.00 61.69 58.54 2c3m s THR 82 Cb -0.10 -2.09 0.02 0.00 -1.51 0.00 0.00 72.50 68.83 2c3m s THR 82 CO 0.03 -0.31 0.48 0.28 -2.21 0.00 0.00 174.62 172.89 2c3m s THR 83 N -4.05 0.03 -0.06 5.08 -1.32 -1.12 -3.27 115.64 110.93 2c3m s THR 83 Ca 0.25 -0.84 0.02 0.00 -1.21 0.00 0.00 61.69 59.91 2c3m s THR 83 Cb 0.06 -1.58 0.01 0.00 -1.51 0.00 0.00 72.50 69.48 2c3m s THR 83 CO 0.04 -0.16 -0.12 -0.36 -2.21 0.00 0.00 174.62 171.81 2c3m s PHE 84 N -3.88 1.43 0.00 9.09 0.40 -1.26 -1.42 117.98 122.33 2c3m s PHE 84 Ca 0.10 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2c3m s PHE 84 Cb -0.00 -1.04 0.00 0.00 0.51 0.00 0.00 43.02 42.49 2c3m s PHE 84 CO -0.03 -0.26 0.00 -2.37 0.70 0.00 0.00 175.22 173.26 2c3m n THR 85 N 3.75 0.00 -3.60 0.64 5.66 -0.76 -4.61 114.28 115.36 2c3m n THR 85 Ca -0.22 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.78 2c3m n THR 85 Cb 0.52 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.29 2c3m n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2c3m s ALA 86 N -1.00 -2.33 0.00 1.79 0.00 -1.26 -2.02 121.76 116.94 2c3m s ALA 86 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2c3m s ALA 86 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.11 2c3m s ALA 86 CO 0.00 -0.84 0.00 0.45 0.00 0.00 0.00 175.76 175.37 2c3m n SER 87 N -0.29 0.00 -0.27 0.00 2.88 -1.26 -0.88 113.62 113.79 2c3m n SER 87 Ca -0.03 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.69 2c3m n SER 87 Cb 0.61 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.54 2c3m n SER 87 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2c3m h GLN 88 N 0.00 0.46 -0.34 -1.46 1.08 -1.90 -0.17 115.11 112.78 2c3m h GLN 88 Ca 0.00 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 2c3m h GLN 88 Cb 0.00 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 2c3m h GLN 88 CO 0.00 0.30 -0.16 0.78 -0.95 0.00 0.00 178.83 178.80 2c3m h GLY 89 N 0.47 0.77 1.26 3.46 0.00 -1.44 -2.95 103.07 104.64 2c3m h GLY 89 Ca 0.50 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2c3m h GLY 89 CO -0.22 0.63 0.32 -2.00 0.00 0.00 0.00 176.54 175.27 2c3m h LEU 90 N 0.48 0.86 -1.19 3.11 5.85 -0.31 -2.07 115.31 122.05 2c3m h LEU 90 Ca 0.08 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2c3m h LEU 90 Cb 0.70 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2c3m h LEU 90 CO 0.05 0.73 0.55 -0.07 -0.34 0.00 0.00 178.44 179.37 2c3m h LEU 91 N 0.95 0.93 -1.06 2.25 3.38 -1.25 -1.05 115.31 119.47 2c3m h LEU 91 Ca 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2c3m h LEU 91 Cb 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2c3m h LEU 91 CO -0.03 0.66 0.00 -0.07 0.09 0.00 0.00 178.44 179.09 2c3m h LEU 92 N 1.09 0.00 0.00 1.67 3.38 -1.21 -2.77 115.31 117.47 2c3m h LEU 92 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2c3m h LEU 92 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2c3m h LEU 92 CO -0.08 0.00 -0.65 0.23 0.09 0.00 0.00 178.44 178.03 2c3m n MET 93 N -2.61 0.07 -0.18 1.13 2.81 -0.42 -4.10 117.12 113.82 2c3m n MET 93 Ca 0.01 0.01 -0.01 0.00 -1.81 0.00 0.00 57.70 55.90 2c3m n MET 93 Cb 0.26 -1.53 0.07 0.00 -0.71 0.00 0.00 33.22 31.31 2c3m n MET 93 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2c3m h ILE 94 N 0.00 0.50 -0.56 2.02 2.04 -1.29 -0.37 117.51 119.86 2c3m h ILE 94 Ca 0.00 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.92 2c3m h ILE 94 Cb 0.56 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 2c3m h ILE 94 CO 0.00 0.01 0.18 -0.65 0.00 0.00 0.00 178.15 177.69 2c3m h PRO 95 N 0.07 0.34 0.00 2.37 0.11 -1.81 -1.14 132.00 131.94 2c3m h PRO 95 Ca 0.29 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.31 2c3m h PRO 95 Cb 0.45 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 2c3m h PRO 95 CO -0.52 0.22 -0.34 -0.91 -0.21 0.00 0.00 178.00 176.25 2c3m h ASN 96 N 0.35 0.00 -0.77 -2.05 2.35 -1.68 -2.97 115.58 110.81 2c3m h ASN 96 Ca 0.28 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.98 2c3m h ASN 96 Cb 0.35 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2c3m h ASN 96 CO -0.30 0.34 0.27 0.24 -1.65 0.00 0.00 177.43 176.32 2c3m h MET 97 N 0.00 1.17 -0.62 0.81 2.86 0.19 0.24 114.93 119.58 2c3m h MET 97 Ca -0.00 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 2c3m h MET 97 Cb 0.83 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 2c3m h MET 97 CO 0.04 0.97 0.30 1.88 1.06 0.00 0.00 176.91 181.17 2c3m h TYR 98 N 1.13 0.86 -0.21 -0.22 -1.99 -1.31 -1.47 116.97 113.77 2c3m h TYR 98 Ca 0.25 -0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.85 2c3m h TYR 98 Cb 0.27 -0.27 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 2c3m h TYR 98 CO 0.02 0.63 -0.30 0.87 -0.00 0.00 0.00 178.16 179.38 2c3m h LYS 99 N 0.87 0.56 -0.53 4.88 1.79 -1.29 0.70 116.57 123.56 2c3m h LYS 99 Ca 0.22 -0.33 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 2c3m h LYS 99 Cb 0.08 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2c3m h LYS 99 CO -0.03 0.93 0.22 0.82 -1.08 0.00 0.00 179.45 180.32 2c3m h ILE 100 N 0.24 1.21 -0.03 1.86 2.04 -0.29 -1.10 117.51 121.44 2c3m h ILE 100 Ca 0.02 -0.64 -0.25 0.00 1.00 0.00 0.00 64.86 64.99 2c3m h ILE 100 Cb 0.87 0.65 0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2c3m h ILE 100 CO 0.07 0.25 -0.96 0.77 0.00 0.00 0.00 178.15 178.27 2c3m h SER 101 N 0.71 0.82 -0.05 1.72 4.64 -1.33 -1.75 113.55 118.31 2c3m h SER 101 Ca 0.18 -0.63 0.01 0.00 -0.47 0.00 0.00 61.79 60.88 2c3m h SER 101 Cb 0.18 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2c3m h SER 101 CO -0.02 1.43 0.04 1.23 -0.87 0.00 0.00 176.83 178.64 2c3m h GLY 102 N 0.65 0.00 -2.92 -0.77 0.00 -0.61 -0.02 103.07 99.40 2c3m h GLY 102 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2c3m h GLY 102 CO 0.19 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.91 2c3m n GLU 103 N -4.50 3.61 -3.81 4.80 1.02 -0.44 -4.98 120.64 116.33 2c3m n GLU 103 Ca -0.02 -2.85 -0.34 0.00 -0.02 0.00 0.00 57.16 53.93 2c3m n GLU 103 Cb 0.14 -1.84 0.03 0.00 -0.02 0.00 0.00 31.44 29.74 2c3m n GLU 103 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2c3m n LEU 104 N 1.09 -1.94 -4.67 -4.62 4.77 -0.02 -4.97 117.00 106.64 2c3m n LEU 104 Ca 0.25 -1.06 -0.35 0.00 -0.03 0.00 0.00 56.01 54.82 2c3m n LEU 104 Cb 0.85 -2.03 -0.10 0.00 -2.33 0.00 0.00 43.42 39.82 2c3m n LEU 104 CO 0.23 0.50 -0.30 -0.76 -1.33 0.00 0.00 177.39 175.72 2c3m s LEU 105 N -6.46 3.61 0.00 2.23 1.43 -0.68 -4.69 118.68 114.12 2c3m s LEU 105 Ca 0.38 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.57 2c3m s LEU 105 Cb -0.17 -1.84 -0.18 0.00 0.03 0.00 0.00 46.19 44.03 2c3m s LEU 105 CO 0.90 0.34 2.76 -0.81 0.23 0.00 0.00 176.35 179.78 2c3m n PRO 106 N 2.38 1.46 -2.10 1.29 -0.04 -1.26 -2.67 135.00 134.06 2c3m n PRO 106 Ca -0.18 -0.67 -0.32 0.00 -0.04 0.00 0.00 63.50 62.29 2c3m n PRO 106 Cb 0.53 -1.77 -0.01 0.00 -0.04 0.00 0.00 33.50 32.22 2c3m n PRO 106 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2c3m s GLY 107 N 2.17 1.92 -0.10 0.55 0.00 -1.26 -4.66 107.32 105.94 2c3m s GLY 107 Ca 0.45 0.13 -0.02 0.00 0.00 0.00 0.00 44.72 45.28 2c3m s GLY 107 CO 0.00 0.41 0.01 0.14 0.00 0.00 0.00 173.10 173.67 2c3m s VAL 108 N -2.80 0.39 -0.20 1.40 1.01 -1.13 -1.23 120.40 117.85 2c3m s VAL 108 Ca 0.58 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.43 2c3m s VAL 108 Cb -0.12 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 2c3m s VAL 108 CO 0.41 0.14 0.11 -0.36 0.00 0.00 0.00 175.10 175.40 2c3m s PHE 109 N 1.95 3.33 -0.25 5.22 2.99 0.36 -2.79 117.98 128.79 2c3m s PHE 109 Ca 0.04 0.20 -0.08 0.00 0.00 0.00 0.00 56.93 57.09 2c3m s PHE 109 Cb -0.13 -2.15 -0.03 0.00 0.00 0.00 0.00 43.02 40.71 2c3m s PHE 109 CO -0.06 0.19 0.08 -1.01 -0.00 0.00 0.00 175.22 174.42 2c3m s HIS 110 N 0.50 3.10 -0.09 0.36 3.76 -0.51 -0.46 115.29 121.96 2c3m s HIS 110 Ca 0.06 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.65 2c3m s HIS 110 Cb -0.12 -2.25 0.00 0.00 1.11 0.00 0.00 32.58 31.32 2c3m s HIS 110 CO -0.00 -0.33 -0.22 0.08 -0.85 0.00 0.00 174.74 173.42 2c3m s VAL 111 N 1.61 1.89 -0.65 -0.90 1.01 0.64 -1.82 120.40 122.18 2c3m s VAL 111 Ca 0.06 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 2c3m s VAL 111 Cb -0.15 -1.64 0.11 0.00 0.00 0.00 0.00 36.38 34.70 2c3m s VAL 111 CO 0.04 0.52 0.78 0.42 0.00 0.00 0.00 175.10 176.86 2c3m s THR 112 N 0.33 4.82 -0.30 3.92 -4.23 -0.85 -1.81 115.64 117.51 2c3m s THR 112 Ca -0.16 -1.11 -0.38 0.00 -1.18 0.00 0.00 61.69 58.85 2c3m s THR 112 Cb -0.17 -4.54 -0.14 0.00 1.34 0.00 0.00 72.50 68.99 2c3m s THR 112 CO 0.07 -1.19 1.92 0.00 -0.54 0.00 0.00 174.62 174.88 2c3m n ALA 113 N 6.30 0.32 -2.79 3.99 0.00 -0.00 -4.44 120.51 123.89 2c3m n ALA 113 Ca -0.04 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 2c3m n ALA 113 Cb 0.44 -2.34 -0.11 0.00 0.00 0.00 0.00 19.45 17.44 2c3m n ALA 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2c3m s ARG 114 N 4.60 0.59 0.69 0.00 3.52 -1.10 -1.06 118.95 126.19 2c3m s ARG 114 Ca 1.03 -0.83 -0.17 0.00 -0.13 0.00 0.00 55.73 55.64 2c3m s ARG 114 Cb -1.01 -0.35 0.01 0.00 -1.56 0.00 0.00 34.95 32.04 2c3m s ARG 114 CO 0.60 0.06 1.15 0.00 -0.81 0.00 0.00 175.30 176.30 2c3m n ALA 115 N 1.32 0.46 -2.73 6.12 0.00 0.08 -3.43 120.51 122.33 2c3m n ALA 115 Ca -0.22 -0.11 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 2c3m n ALA 115 Cb 0.55 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 2c3m n ALA 115 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2c3m s ILE 116 N -1.64 5.25 -0.15 0.00 -1.09 -1.26 -4.67 121.20 117.64 2c3m s ILE 116 Ca 0.78 0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 59.06 2c3m s ILE 116 Cb -0.36 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 2c3m s ILE 116 CO 0.45 0.29 1.35 0.00 -1.23 0.00 0.00 174.94 175.79 2c3m s ALA 117 N -1.39 3.63 0.00 9.38 0.00 -1.26 -4.71 121.76 127.41 2c3m s ALA 117 Ca 0.31 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2c3m s ALA 117 Cb -0.13 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2c3m s ALA 117 CO 0.19 -1.26 0.00 0.00 0.00 0.00 0.00 175.76 174.68 2c3m n ALA 118 N 6.80 0.29 0.33 0.00 0.00 -1.26 -4.86 120.51 121.81 2c3m n ALA 118 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.74 2c3m n ALA 118 Cb 0.45 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.46 2c3m n ALA 118 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2c3m h HIS 119 N 0.00 0.00 -2.55 0.00 2.07 -1.89 -3.45 115.15 109.33 2c3m h HIS 119 Ca 0.00 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.61 2c3m h HIS 119 Cb 0.00 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 29.86 2c3m h HIS 119 CO 0.00 0.00 0.39 0.00 -3.07 0.00 0.00 177.93 175.25 2c3m s ALA 120 N -3.49 -1.67 0.15 6.11 0.00 -1.26 -4.40 121.76 117.19 2c3m s ALA 120 Ca 0.03 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 2c3m s ALA 120 Cb 0.09 0.63 -0.07 0.00 0.00 0.00 0.00 23.12 23.77 2c3m s ALA 120 CO 0.52 -0.81 0.51 -1.17 0.00 0.00 0.00 175.76 174.81 2c3m s LEU 121 N -2.69 4.31 -0.12 0.00 0.20 -1.26 -4.28 118.68 114.84 2c3m s LEU 121 Ca 0.06 0.97 -0.06 0.00 0.69 0.00 0.00 54.13 55.79 2c3m s LEU 121 Cb -0.02 -3.28 0.05 0.00 -0.43 0.00 0.00 46.19 42.51 2c3m s LEU 121 CO -0.06 0.08 0.28 -0.55 -0.29 0.00 0.00 176.35 175.81 2c3m s SER 122 N -1.86 -0.32 0.00 3.68 0.15 -1.26 -5.01 113.70 109.07 2c3m s SER 122 Ca 0.39 0.60 0.25 0.00 0.70 0.00 0.00 55.95 57.89 2c3m s SER 122 Cb -0.14 0.49 0.84 0.00 -1.71 0.00 0.00 66.02 65.51 2c3m s SER 122 CO 0.19 -0.17 1.62 2.30 1.20 0.00 0.00 173.24 178.39 2c3m n ILE 123 N 4.16 0.08 -2.42 6.45 -5.35 -1.26 -4.24 119.36 116.78 2c3m n ILE 123 Ca -0.24 -0.33 -0.24 0.00 -0.27 0.00 0.00 62.75 61.67 2c3m n ILE 123 Cb 0.54 0.61 0.05 0.00 -1.74 0.00 0.00 39.64 39.09 2c3m n ILE 123 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2c3m s PHE 124 N -1.92 2.96 0.15 4.28 0.08 -1.26 -4.36 117.98 117.91 2c3m s PHE 124 Ca 0.35 0.31 -0.28 0.00 0.12 0.00 0.00 56.93 57.43 2c3m s PHE 124 Cb 0.20 -2.94 -0.07 0.00 -0.57 0.00 0.00 43.02 39.64 2c3m s PHE 124 CO 0.31 -1.09 0.88 0.20 -0.10 0.00 0.00 175.22 175.42 2c3m s GLY 125 N -4.44 2.99 0.04 4.36 0.00 -1.18 -0.75 107.32 108.34 2c3m s GLY 125 Ca 0.58 0.50 -0.28 0.00 0.00 0.00 0.00 44.72 45.51 2c3m s GLY 125 CO 0.42 1.19 1.20 0.51 0.00 0.00 0.00 173.10 176.43 2c3m s ASP 126 N -0.61 -0.06 -0.13 1.64 3.84 -1.13 0.01 116.67 120.23 2c3m s ASP 126 Ca 0.41 -0.27 0.14 0.00 -0.00 0.00 0.00 52.55 52.84 2c3m s ASP 126 Cb -0.24 0.26 0.65 0.00 -1.38 0.00 0.00 42.92 42.21 2c3m s ASP 126 CO 0.29 -0.49 1.52 1.41 -0.00 0.00 0.00 175.17 177.90 2c3m n HIS 127 N -0.59 1.45 -0.22 2.11 8.25 0.64 -2.70 115.22 124.16 2c3m n HIS 127 Ca -0.05 -0.55 -0.00 0.00 -0.26 0.00 0.00 57.72 56.86 2c3m n HIS 127 Cb 0.61 -0.30 0.11 0.00 1.12 0.00 0.00 29.99 31.53 2c3m n HIS 127 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2c3m h GLN 128 N 3.46 0.51 -0.13 -0.41 4.20 -1.79 -1.64 115.11 119.32 2c3m h GLN 128 Ca 0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2c3m h GLN 128 Cb 1.45 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 2c3m h GLN 128 CO 0.28 0.34 -0.05 0.38 -0.67 0.00 0.00 178.83 179.10 2c3m h ASP 129 N 0.52 0.26 0.02 1.46 -0.00 -1.78 -2.60 116.42 114.31 2c3m h ASP 129 Ca 0.31 -0.40 -0.07 0.00 -0.00 0.00 0.00 57.03 56.87 2c3m h ASP 129 Cb 0.32 -0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.56 2c3m h ASP 129 CO -0.26 0.61 -0.21 0.16 -0.00 0.00 0.00 179.24 179.54 2c3m h ILE 130 N -0.08 1.23 0.00 4.15 -0.00 -1.84 -2.05 117.51 118.93 2c3m h ILE 130 Ca 0.03 -1.07 -0.08 0.00 -0.00 0.00 0.00 64.86 63.74 2c3m h ILE 130 Cb 0.50 1.32 -0.01 0.00 -0.00 0.00 0.00 36.82 38.63 2c3m h ILE 130 CO 0.02 0.33 -0.39 1.88 -0.00 0.00 0.00 178.15 179.99 2c3m h TYR 131 N 0.30 0.00 0.00 0.16 0.99 -1.31 -2.32 116.97 114.80 2c3m h TYR 131 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2c3m h TYR 131 Cb 0.54 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.27 2c3m h TYR 131 CO 0.01 0.39 0.00 0.00 -0.00 0.00 0.00 178.16 178.56 2c3m n ALA 132 N -2.38 1.57 -0.35 3.88 0.00 -0.77 -2.54 120.51 119.93 2c3m n ALA 132 Ca -0.01 0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.58 2c3m n ALA 132 Cb 0.46 -1.38 0.13 0.00 0.00 0.00 0.00 19.45 18.66 2c3m n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c3m n ALA 133 N -1.78 2.28 0.30 0.00 0.00 -0.88 -4.70 120.51 115.73 2c3m n ALA 133 Ca 0.02 -1.44 0.18 0.00 0.00 0.00 0.00 53.44 52.20 2c3m n ALA 133 Cb 0.20 -0.37 0.95 0.00 0.00 0.00 0.00 19.45 20.24 2c3m n ALA 133 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2c3m h ARG 134 N 1.29 0.00 -0.06 0.00 0.11 -1.39 -2.48 114.38 111.86 2c3m h ARG 134 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2c3m h ARG 134 Cb 0.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.90 2c3m h ARG 134 CO 0.04 0.03 0.00 0.00 0.10 0.00 0.00 179.97 180.14 2c3m n GLN 135 N -3.31 1.97 0.21 0.08 0.00 -1.26 -4.32 117.38 110.76 2c3m n GLN 135 Ca -0.02 -1.41 0.15 0.00 0.00 0.00 0.00 57.00 55.72 2c3m n GLN 135 Cb 0.16 -1.47 0.61 0.00 0.00 0.00 0.00 30.24 29.55 2c3m n GLN 135 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 2c3m h THR 136 N 3.33 0.00 0.00 -0.39 1.35 -1.80 -3.47 112.91 111.94 2c3m h THR 136 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2c3m h THR 136 Cb 0.71 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2c3m h THR 136 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2c3m n GLY 137 N -0.01 0.69 3.80 5.82 0.00 -1.26 -4.10 105.19 110.13 2c3m n GLY 137 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2c3m n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c3m s PHE 138 N -2.03 3.61 0.49 1.61 0.40 -1.26 -4.73 117.98 116.07 2c3m s PHE 138 Ca 0.00 1.60 -0.19 0.00 -0.60 0.00 0.00 56.93 57.73 2c3m s PHE 138 Cb 0.00 -2.79 -0.08 0.00 0.51 0.00 0.00 43.02 40.66 2c3m s PHE 138 CO 0.00 0.21 1.01 0.00 0.70 0.00 0.00 175.22 177.14 2c3m s ALA 139 N -1.67 2.91 -0.12 5.36 0.00 0.21 -4.79 121.76 123.66 2c3m s ALA 139 Ca 0.49 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 2c3m s ALA 139 Cb -0.16 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.78 2c3m s ALA 139 CO 0.21 -0.27 -0.03 -1.64 0.00 0.00 0.00 175.76 174.03 2c3m s MET 140 N -3.45 1.06 -0.15 0.00 -1.94 0.10 -0.85 119.30 114.08 2c3m s MET 140 Ca 0.64 -0.22 0.02 0.00 -1.71 0.00 0.00 55.69 54.43 2c3m s MET 140 Cb -0.14 -1.55 0.01 0.00 2.01 0.00 0.00 34.83 35.16 2c3m s MET 140 CO 0.22 -0.37 -0.21 -1.17 -0.01 0.00 0.00 175.02 173.48 2c3m s LEU 141 N 1.80 2.16 -0.07 -0.03 2.96 -0.67 -0.40 118.68 124.44 2c3m s LEU 141 Ca 0.03 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.30 2c3m s LEU 141 Cb -0.14 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2c3m s LEU 141 CO -0.07 0.07 0.12 0.00 -1.32 0.00 0.00 176.35 175.15 2c3m s ALA 142 N 0.88 3.79 -0.02 5.97 0.00 0.56 -1.87 121.76 131.07 2c3m s ALA 142 Ca -0.05 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.25 2c3m s ALA 142 Cb -0.15 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 2c3m s ALA 142 CO -0.03 0.66 -0.20 -1.54 0.00 0.00 0.00 175.76 174.65 2c3m s SER 143 N -1.32 3.57 -0.02 0.00 1.04 -0.75 -4.71 113.70 111.51 2c3m s SER 143 Ca 0.19 -0.36 0.09 0.00 0.48 0.00 0.00 55.95 56.35 2c3m s SER 143 Cb -0.12 -0.59 0.25 0.00 0.10 0.00 0.00 66.02 65.66 2c3m s SER 143 CO 0.09 0.32 1.20 -1.54 0.98 0.00 0.00 173.24 174.29 2c3m n SER 144 N 2.22 2.77 -3.68 7.02 3.41 -1.26 -4.44 113.62 119.65 2c3m n SER 144 Ca -0.17 -2.13 -0.09 0.00 -0.26 0.00 0.00 58.87 56.22 2c3m n SER 144 Cb 0.52 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 2c3m n SER 144 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2c3m s SER 145 N -1.14 -0.36 0.19 4.04 1.04 -1.26 -3.88 113.70 112.32 2c3m s SER 145 Ca 0.19 -0.38 -0.12 0.00 0.48 0.00 0.00 55.95 56.13 2c3m s SER 145 Cb 0.12 0.65 0.13 0.00 0.10 0.00 0.00 66.02 67.02 2c3m s SER 145 CO 0.11 -1.14 1.84 0.58 0.98 0.00 0.00 173.24 175.60 2c3m h VAL 146 N 2.05 1.09 -0.79 5.02 2.07 -1.91 0.87 116.25 124.65 2c3m h VAL 146 Ca -0.27 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2c3m h VAL 146 Cb 1.27 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2c3m h VAL 146 CO 0.32 0.14 0.39 -0.61 0.02 0.00 0.00 177.57 177.82 2c3m h GLN 147 N 0.76 1.13 0.00 1.57 5.75 -1.95 -2.36 115.11 120.02 2c3m h GLN 147 Ca 0.24 -0.16 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 2c3m h GLN 147 Cb -0.01 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 2c3m h GLN 147 CO -0.09 0.87 -0.41 0.93 -2.65 0.00 0.00 178.83 177.48 2c3m h GLU 148 N 1.11 0.00 -0.57 1.69 5.08 -1.77 -2.66 114.58 117.46 2c3m h GLU 148 Ca 0.27 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2c3m h GLU 148 Cb 0.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2c3m h GLU 148 CO -0.04 0.41 0.37 0.00 -1.00 0.00 0.00 179.01 178.76 2c3m h ALA 149 N 1.59 0.72 0.44 3.43 0.00 -0.31 0.43 119.26 125.55 2c3m h ALA 149 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2c3m h ALA 149 Cb 0.75 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2c3m h ALA 149 CO 0.05 0.15 -0.21 1.25 0.00 0.00 0.00 179.25 180.50 2c3m h HIS 150 N 0.77 -0.55 -0.32 0.00 -0.00 -1.34 -1.68 115.15 112.03 2c3m h HIS 150 Ca 0.21 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.58 2c3m h HIS 150 Cb -0.09 0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 2c3m h HIS 150 CO -0.04 -0.29 0.18 -0.44 -0.00 0.00 0.00 177.93 177.34 2c3m h ASP 151 N -0.69 0.28 0.17 3.26 3.32 -1.18 -2.61 116.42 118.96 2c3m h ASP 151 Ca -0.06 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 2c3m h ASP 151 Cb 0.50 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2c3m h ASP 151 CO 0.10 0.20 -0.47 0.24 -1.72 0.00 0.00 179.24 177.60 2c3m h MET 152 N 0.36 0.36 -0.63 3.56 2.86 -0.20 -2.15 114.93 119.09 2c3m h MET 152 Ca 0.13 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2c3m h MET 152 Cb 0.02 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 2c3m h MET 152 CO -0.07 0.75 0.39 0.00 1.06 0.00 0.00 176.91 179.04 2c3m h ALA 153 N 1.22 0.83 -0.23 6.32 0.00 -1.13 0.77 119.26 127.05 2c3m h ALA 153 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2c3m h ALA 153 Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2c3m h ALA 153 CO 0.08 0.13 0.04 1.25 0.00 0.00 0.00 179.25 180.75 2c3m h LEU 154 N 0.76 0.35 -0.69 0.00 5.85 -1.20 -2.38 115.31 118.01 2c3m h LEU 154 Ca 0.26 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.77 2c3m h LEU 154 Cb 0.03 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2c3m h LEU 154 CO -0.11 0.51 0.41 0.58 -0.34 0.00 0.00 178.44 179.50 2c3m h VAL 155 N 0.18 1.05 -0.29 1.05 2.07 -1.01 -1.61 116.25 117.68 2c3m h VAL 155 Ca 0.07 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2c3m h VAL 155 Cb 0.31 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2c3m h VAL 155 CO 0.00 0.14 0.13 0.00 0.02 0.00 0.00 177.57 177.87 2c3m h ALA 156 N 1.32 0.34 -0.18 1.67 0.00 -0.68 0.24 119.26 121.98 2c3m h ALA 156 Ca 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2c3m h ALA 156 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2c3m h ALA 156 CO -0.14 -0.26 0.05 0.45 0.00 0.00 0.00 179.25 179.35 2c3m h HIS 157 N 0.28 0.29 -0.40 0.00 -0.00 -1.14 0.11 115.15 114.28 2c3m h HIS 157 Ca 0.12 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.45 2c3m h HIS 157 Cb 0.05 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 2c3m h HIS 157 CO -0.11 0.40 0.23 -0.07 -0.00 0.00 0.00 177.93 178.38 2c3m h LEU 158 N 0.10 0.50 -0.65 2.43 3.38 -1.12 -1.52 115.31 118.42 2c3m h LEU 158 Ca 0.06 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2c3m h LEU 158 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2c3m h LEU 158 CO -0.00 0.42 -0.25 0.00 0.09 0.00 0.00 178.44 178.70 2c3m h ALA 159 N 1.09 0.84 -0.40 1.53 0.00 -0.46 -2.33 119.26 119.53 2c3m h ALA 159 Ca 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2c3m h ALA 159 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2c3m h ALA 159 CO -0.03 0.64 0.20 0.00 0.00 0.00 0.00 179.25 180.07 2c3m h ALA 160 N 1.04 0.52 -0.11 0.00 0.00 -0.53 0.42 119.26 120.59 2c3m h ALA 160 Ca 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2c3m h ALA 160 Cb 0.78 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2c3m h ALA 160 CO 0.06 0.07 0.02 0.82 0.00 0.00 0.00 179.25 180.22 2c3m h ILE 161 N 0.51 0.95 -0.05 0.00 2.04 -1.15 -0.39 117.51 119.42 2c3m h ILE 161 Ca 0.14 -0.02 -0.18 0.00 1.00 0.00 0.00 64.86 65.79 2c3m h ILE 161 Cb 0.10 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2c3m h ILE 161 CO -0.02 0.01 -0.75 -0.08 0.00 0.00 0.00 178.15 177.31 2c3m h GLU 162 N 0.07 0.33 0.00 2.37 4.81 -1.30 -3.33 114.58 117.53 2c3m h GLU 162 Ca 0.05 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2c3m h GLU 162 Cb 0.04 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2c3m h GLU 162 CO -0.07 0.94 -0.75 0.66 -0.73 0.00 0.00 179.01 179.06 2c3m h SER 163 N 0.22 0.00 -0.34 1.04 4.64 -0.84 -3.48 113.55 114.80 2c3m h SER 163 Ca -0.03 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.13 2c3m h SER 163 Cb 1.33 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.36 2c3m h SER 163 CO 0.12 0.01 -0.13 0.59 -0.87 0.00 0.00 176.83 176.55 2c3m n ASN 164 N -2.74 -4.79 -4.41 4.97 4.13 -0.17 -4.93 115.26 107.33 2c3m n ASN 164 Ca 0.01 0.17 -0.34 0.00 1.68 0.00 0.00 54.58 56.10 2c3m n ASN 164 Cb 0.54 -2.91 -0.13 0.00 -1.54 0.00 0.00 39.78 35.74 2c3m n ASN 164 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2c3m s VAL 165 N -1.95 3.67 0.63 2.41 1.01 -1.25 -2.97 120.40 121.95 2c3m s VAL 165 Ca 0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 2c3m s VAL 165 Cb 0.00 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2c3m s VAL 165 CO 0.00 0.46 1.23 -2.16 0.00 0.00 0.00 175.10 174.63 2c3m s PRO 166 N 0.88 2.71 0.06 2.72 0.04 -1.09 -4.46 135.00 135.87 2c3m s PRO 166 Ca -0.01 1.89 0.09 0.00 0.04 0.00 0.00 61.00 63.01 2c3m s PRO 166 Cb -0.15 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2c3m s PRO 166 CO 0.01 -1.43 -0.25 -0.06 0.04 0.00 0.00 177.00 175.32 2c3m s PHE 167 N -1.60 2.14 -0.26 0.56 0.40 -0.36 -0.62 117.98 118.24 2c3m s PHE 167 Ca 0.78 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.75 2c3m s PHE 167 Cb -0.32 -1.25 0.06 0.00 0.51 0.00 0.00 43.02 42.01 2c3m s PHE 167 CO 0.37 0.16 -0.11 1.41 0.70 0.00 0.00 175.22 177.75 2c3m s MET 168 N -1.40 2.27 -0.23 0.44 -2.45 -0.03 -0.48 119.30 117.42 2c3m s MET 168 Ca 0.11 -1.33 -0.14 0.00 -1.25 0.00 0.00 55.69 53.08 2c3m s MET 168 Cb -0.10 -2.89 -0.04 0.00 1.25 0.00 0.00 34.83 33.05 2c3m s MET 168 CO 0.03 -0.56 0.30 -1.58 1.05 0.00 0.00 175.02 174.26 2c3m s HIS 169 N 1.11 3.33 0.05 4.11 2.46 0.39 -1.66 115.29 125.09 2c3m s HIS 169 Ca -0.08 0.43 0.04 0.00 0.47 0.00 0.00 55.06 55.91 2c3m s HIS 169 Cb -0.20 -2.43 -0.03 0.00 -0.13 0.00 0.00 32.58 29.80 2c3m s HIS 169 CO -0.05 -0.01 -0.11 -0.59 -2.47 0.00 0.00 174.74 171.51 2c3m s PHE 170 N 1.30 0.93 0.03 3.88 -0.12 -0.78 -0.26 117.98 122.95 2c3m s PHE 170 Ca 0.14 -0.46 -0.05 0.00 -0.05 0.00 0.00 56.93 56.51 2c3m s PHE 170 Cb -0.14 -0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 41.70 2c3m s PHE 170 CO 0.07 -0.01 0.09 -0.59 -0.05 0.00 0.00 175.22 174.72 2c3m s PHE 171 N -1.25 0.19 0.11 3.49 -0.12 -0.75 -1.81 117.98 117.83 2c3m s PHE 171 Ca -0.05 -0.45 -0.32 0.00 -0.05 0.00 0.00 56.93 56.05 2c3m s PHE 171 Cb -0.10 -0.14 -0.12 0.00 -0.63 0.00 0.00 43.02 42.04 2c3m s PHE 171 CO 0.01 -0.33 1.76 -0.25 -0.05 0.00 0.00 175.22 176.36 2c3m n ASP 172 N 0.96 3.72 -4.70 1.98 10.43 -1.26 -0.82 116.55 126.86 2c3m n ASP 172 Ca -0.20 1.02 -0.44 0.00 2.57 0.00 0.00 54.79 57.74 2c3m n ASP 172 Cb 0.58 -1.50 -0.03 0.00 1.84 0.00 0.00 41.12 42.01 2c3m n ASP 172 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2c3m n GLY 173 N 4.02 1.35 5.00 0.44 0.00 -0.22 -1.46 105.19 114.32 2c3m n GLY 173 Ca 0.18 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.83 2c3m n GLY 173 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c3m n PHE 174 N 3.66 0.00 -0.21 1.61 3.72 -1.26 -3.12 117.46 121.86 2c3m n PHE 174 Ca 0.16 0.00 0.25 0.00 -0.05 0.00 0.00 57.45 57.81 2c3m n PHE 174 Cb 0.32 0.00 0.64 0.00 -0.94 0.00 0.00 39.48 39.51 2c3m n PHE 174 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2c3m h ARG 175 N 0.00 0.15 0.00 -1.08 9.65 -1.96 -1.04 114.38 120.10 2c3m h ARG 175 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2c3m h ARG 175 Cb 0.00 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 2c3m h ARG 175 CO 0.00 0.10 -0.99 2.41 2.80 0.00 0.00 179.97 184.29 2c3m n THR 176 N -4.37 0.00 0.02 0.20 -1.04 -0.53 -4.35 114.28 104.21 2c3m n THR 176 Ca 0.19 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.22 2c3m n THR 176 Cb 0.88 -0.55 0.37 0.00 -1.82 0.00 0.00 70.33 69.21 2c3m n THR 176 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2c3m h SER 177 N 0.00 0.44 -0.01 8.00 4.64 -1.29 -2.29 113.55 123.03 2c3m h SER 177 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2c3m h SER 177 Cb 0.99 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2c3m h SER 177 CO 0.00 0.43 -0.04 1.41 -0.87 0.00 0.00 176.83 177.77 2c3m n HIS 178 N -4.37 0.00 -2.57 4.77 8.25 -0.41 -1.83 115.22 119.06 2c3m n HIS 178 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 2c3m n HIS 178 Cb 0.17 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 2c3m n HIS 178 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2c3m s GLU 179 N -1.05 4.61 -0.16 -0.41 2.12 -1.12 -4.74 118.70 117.94 2c3m s GLU 179 Ca 0.13 1.64 -0.09 0.00 0.36 0.00 0.00 54.97 57.01 2c3m s GLU 179 Cb 0.10 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.12 2c3m s GLU 179 CO 0.17 0.08 0.16 0.42 -0.54 0.00 0.00 175.26 175.54 2c3m s ILE 180 N -0.02 5.43 0.03 -3.70 1.01 0.90 -3.35 121.20 121.50 2c3m s ILE 180 Ca 0.50 0.25 -0.06 0.00 0.00 0.00 0.00 60.65 61.33 2c3m s ILE 180 Cb -0.27 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 2c3m s ILE 180 CO 0.33 0.50 0.10 -1.10 0.00 0.00 0.00 174.94 174.78 2c3m s GLN 181 N -0.17 0.54 -0.26 2.79 -1.52 -0.53 -0.90 119.66 119.61 2c3m s GLN 181 Ca 0.12 -0.62 -0.23 0.00 -1.95 0.00 0.00 55.36 52.68 2c3m s GLN 181 Cb -0.12 0.22 -0.01 0.00 -0.22 0.00 0.00 33.01 32.88 2c3m s GLN 181 CO 0.01 -0.13 0.74 0.21 -0.25 0.00 0.00 175.29 175.87 2c3m s LYS 182 N -2.13 4.11 0.34 2.91 2.20 -1.11 -2.06 119.74 124.01 2c3m s LYS 182 Ca -0.09 0.71 0.06 0.00 -0.36 0.00 0.00 55.97 56.29 2c3m s LYS 182 Cb -0.04 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 2c3m s LYS 182 CO -0.02 -0.51 0.23 0.96 -0.36 0.00 0.00 175.35 175.65 2c3m s ILE 183 N 2.73 0.15 -0.04 5.43 -4.36 0.37 -4.82 121.20 120.66 2c3m s ILE 183 Ca 0.31 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.76 2c3m s ILE 183 Cb -0.15 -2.45 -0.02 0.00 1.25 0.00 0.00 42.46 41.09 2c3m s ILE 183 CO 0.09 0.00 -0.23 -1.83 0.24 0.00 0.00 174.94 173.21 2c3m s GLU 184 N -3.56 2.40 0.37 0.37 -1.05 -1.26 -0.38 118.70 115.59 2c3m s GLU 184 Ca 0.36 -0.86 0.08 0.00 -0.15 0.00 0.00 54.97 54.40 2c3m s GLU 184 Cb 0.03 -2.18 -0.06 0.00 -0.44 0.00 0.00 34.13 31.47 2c3m s GLU 184 CO 0.23 0.50 0.05 0.14 0.95 0.00 0.00 175.26 177.13 2c3m s VAL 185 N -0.44 2.42 0.07 1.83 -7.23 0.39 -4.90 120.40 112.55 2c3m s VAL 185 Ca 0.05 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.33 2c3m s VAL 185 Cb -0.12 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 2c3m s VAL 185 CO 0.01 -0.11 0.13 -0.76 -0.31 0.00 0.00 175.10 174.06 2c3m s LEU 186 N -3.76 4.02 0.69 1.32 1.43 -1.26 -1.09 118.68 120.03 2c3m s LEU 186 Ca 0.36 0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 2c3m s LEU 186 Cb 0.03 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.60 2c3m s LEU 186 CO 0.20 0.17 1.10 -1.81 0.23 0.00 0.00 176.35 176.24 2c3m s ASP 187 N -2.45 4.95 0.39 2.29 1.01 -0.53 -4.93 116.67 117.40 2c3m s ASP 187 Ca 0.32 1.92 0.09 0.00 0.71 0.00 0.00 52.55 55.59 2c3m s ASP 187 Cb -0.12 -2.54 0.79 0.00 1.01 0.00 0.00 42.92 42.06 2c3m s ASP 187 CO 0.24 -1.73 1.93 1.88 0.21 0.00 0.00 175.17 177.70 2c3m h TYR 188 N -0.35 0.29 -0.86 4.23 -1.99 -1.98 -2.63 116.97 113.69 2c3m h TYR 188 Ca -0.46 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.24 2c3m h TYR 188 Cb 1.24 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 39.84 2c3m h TYR 188 CO 0.56 0.37 0.52 0.00 -0.00 0.00 0.00 178.16 179.60 2c3m h ALA 189 N 1.65 1.09 -0.60 3.88 0.00 -1.97 -1.33 119.26 121.99 2c3m h ALA 189 Ca 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2c3m h ALA 189 Cb 0.31 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2c3m h ALA 189 CO 0.01 0.56 0.15 -0.44 0.00 0.00 0.00 179.25 179.53 2c3m h ASP 190 N 1.18 0.87 -0.43 0.00 3.45 -1.83 -1.92 116.42 117.74 2c3m h ASP 190 Ca 0.31 -0.16 -0.05 0.00 0.43 0.00 0.00 57.03 57.55 2c3m h ASP 190 Cb -0.04 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.48 2c3m h ASP 190 CO -0.06 0.85 0.06 0.24 -1.57 0.00 0.00 179.24 178.76 2c3m h MET 191 N 0.89 0.72 -0.60 3.56 2.86 -1.28 -2.90 114.93 118.19 2c3m h MET 191 Ca 0.19 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2c3m h MET 191 Cb 0.31 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 2c3m h MET 191 CO -0.00 0.76 0.35 0.00 1.06 0.00 0.00 176.91 179.08 2c3m h ALA 192 N 0.93 1.50 0.00 6.32 0.00 -0.93 -2.06 119.26 125.02 2c3m h ALA 192 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2c3m h ALA 192 Cb 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2c3m h ALA 192 CO 0.01 0.43 0.00 0.66 0.00 0.00 0.00 179.25 180.35 2c3m h SER 193 N 0.82 0.00 0.48 0.00 4.64 -1.14 -2.48 113.55 115.87 2c3m h SER 193 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2c3m h SER 193 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2c3m h SER 193 CO -0.04 0.00 -0.76 0.18 -0.87 0.00 0.00 176.83 175.34 2c3m n LEU 194 N -2.82 0.63 -4.74 5.97 4.32 -0.78 -4.94 117.00 114.64 2c3m n LEU 194 Ca -0.01 -0.03 -0.41 0.00 -0.02 0.00 0.00 56.01 55.54 2c3m n LEU 194 Cb 0.18 -0.16 -0.03 0.00 -1.62 0.00 0.00 43.42 41.79 2c3m n LEU 194 CO 0.21 0.08 1.03 -0.69 -1.22 0.00 0.00 177.39 176.80 2c3m s VAL 195 N -3.10 2.98 -0.77 4.08 1.01 -0.94 -4.94 120.40 118.73 2c3m s VAL 195 Ca 0.07 0.82 -0.26 0.00 0.00 0.00 0.00 61.98 62.61 2c3m s VAL 195 Cb 0.16 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 33.05 2c3m s VAL 195 CO 0.76 0.13 1.28 0.21 0.00 0.00 0.00 175.10 177.48 2c3m s ASN 196 N 0.31 6.20 0.41 3.32 3.84 -1.26 -4.87 114.94 122.90 2c3m s ASN 196 Ca 0.57 -0.60 0.09 0.00 0.21 0.00 0.00 52.86 53.13 2c3m s ASN 196 Cb -0.39 -2.55 0.88 0.00 -0.55 0.00 0.00 41.25 38.64 2c3m s ASN 196 CO 0.41 -1.78 2.00 1.56 -2.79 0.00 0.00 177.10 176.50 2c3m h GLN 197 N 9.97 0.32 -0.25 0.43 1.08 -1.95 -2.04 115.11 122.67 2c3m h GLN 197 Ca -0.22 -0.04 -0.19 0.00 -1.45 0.00 0.00 58.65 56.74 2c3m h GLN 197 Cb 1.05 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 2c3m h GLN 197 CO 1.29 0.32 -0.61 0.87 -0.95 0.00 0.00 178.83 179.75 2c3m h LYS 198 N 0.32 0.85 -0.75 1.46 1.79 -1.99 -1.64 116.57 116.60 2c3m h LYS 198 Ca 0.08 -0.58 -0.05 0.00 -2.18 0.00 0.00 60.65 57.92 2c3m h LYS 198 Cb 0.16 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 2c3m h LYS 198 CO -0.00 1.21 0.29 0.00 -1.08 0.00 0.00 179.45 179.87 2c3m h ALA 199 N 0.64 0.98 -0.34 3.86 0.00 -1.85 -0.56 119.26 121.99 2c3m h ALA 199 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2c3m h ALA 199 Cb 1.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2c3m h ALA 199 CO 0.13 0.62 0.17 1.25 0.00 0.00 0.00 179.25 181.41 2c3m h LEU 200 N 1.09 0.43 -1.07 0.00 5.85 -1.28 -0.51 115.31 119.84 2c3m h LEU 200 Ca 0.25 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2c3m h LEU 200 Cb 0.23 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2c3m h LEU 200 CO -0.02 0.43 0.08 0.00 -0.34 0.00 0.00 178.44 178.59 2c3m h ALA 201 N 1.02 1.24 -0.28 1.25 0.00 -1.00 -2.01 119.26 119.48 2c3m h ALA 201 Ca 0.12 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2c3m h ALA 201 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2c3m h ALA 201 CO -0.02 0.52 -0.24 1.49 0.00 0.00 0.00 179.25 181.00 2c3m h GLU 202 N 0.72 0.53 -0.79 0.00 4.57 -0.70 -0.55 114.58 118.35 2c3m h GLU 202 Ca 0.16 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2c3m h GLU 202 Cb 0.32 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 2c3m h GLU 202 CO 0.00 0.73 0.44 0.35 -1.18 0.00 0.00 179.01 179.36 2c3m h PHE 203 N 0.47 1.08 -0.15 0.92 3.57 -0.40 -1.50 116.94 120.92 2c3m h PHE 203 Ca 0.07 -0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.34 2c3m h PHE 203 Cb 0.67 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2c3m h PHE 203 CO 0.02 0.75 -0.72 0.00 -2.23 0.00 0.00 178.31 176.13 2c3m h ARG 204 N 1.09 0.69 -0.36 1.11 3.08 -0.98 -2.94 114.38 116.07 2c3m h ARG 204 Ca 0.28 -0.54 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 2c3m h ARG 204 Cb 0.02 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2c3m h ARG 204 CO -0.05 1.16 0.05 0.00 -1.07 0.00 0.00 179.97 180.06 2c3m h ALA 205 N 0.70 1.41 -0.00 0.04 0.00 -0.80 -2.67 119.26 117.94 2c3m h ALA 205 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2c3m h ALA 205 Cb 1.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2c3m h ALA 205 CO 0.14 0.42 -0.26 0.36 0.00 0.00 0.00 179.25 179.91 2c3m n LYS 206 N -4.31 0.24 -1.17 0.00 2.85 -0.59 -4.94 118.16 110.25 2c3m n LYS 206 Ca 0.02 -0.10 -0.29 0.00 -1.05 0.00 0.00 58.31 56.88 2c3m n LYS 206 Cb 0.21 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.25 2c3m n LYS 206 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2c3m s SER 207 N -2.83 3.21 0.25 -5.58 0.01 -1.01 -4.96 113.70 102.79 2c3m s SER 207 Ca 0.17 1.44 -0.31 0.00 1.31 0.00 0.00 55.95 58.57 2c3m s SER 207 Cb 0.19 -2.12 -0.11 0.00 0.21 0.00 0.00 66.02 64.19 2c3m s SER 207 CO 0.59 -2.80 1.57 -0.04 0.41 0.00 0.00 173.24 172.97 2c3m s MET 208 N -4.92 4.17 -0.30 12.44 -1.94 0.10 -4.93 119.30 123.93 2c3m s MET 208 Ca 0.64 2.48 -0.16 0.00 -1.71 0.00 0.00 55.69 56.94 2c3m s MET 208 Cb -0.18 -3.07 0.16 0.00 2.01 0.00 0.00 34.83 33.75 2c3m s MET 208 CO 0.57 -0.59 1.03 1.21 -0.01 0.00 0.00 175.02 177.23 2c3m s ASN 209 N 0.67 -0.48 0.26 3.03 3.84 -1.26 -4.73 114.94 116.28 2c3m s ASN 209 Ca 0.65 0.70 0.18 0.00 0.21 0.00 0.00 52.86 54.60 2c3m s ASN 209 Cb -0.46 1.41 0.97 0.00 -0.55 0.00 0.00 41.25 42.62 2c3m s ASN 209 CO 0.41 -0.10 1.56 -0.81 -2.79 0.00 0.00 177.10 175.38 2c3m n PRO 210 N 4.36 0.12 0.12 0.43 -0.04 -1.26 -1.15 135.00 137.59 2c3m n PRO 210 Ca -0.13 0.59 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 2c3m n PRO 210 Cb 0.55 -1.87 0.43 0.00 -0.04 0.00 0.00 33.50 32.57 2c3m n PRO 210 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2c3m h GLU 211 N 0.00 0.00 0.00 0.54 4.39 -1.99 -3.36 114.58 114.16 2c3m h GLU 211 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 2c3m h GLU 211 Cb 0.04 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.55 2c3m h GLU 211 CO 0.00 0.00 -0.39 -2.39 -1.16 0.00 0.00 179.01 175.07 2c3m n HIS 212 N -2.32 -2.72 -1.10 4.33 1.44 -0.30 -5.17 115.22 109.39 2c3m n HIS 212 Ca 0.04 -1.68 -0.30 0.00 -2.01 0.00 0.00 57.72 53.77 2c3m n HIS 212 Cb 0.36 1.51 0.14 0.00 0.12 0.00 0.00 29.99 32.13 2c3m n HIS 212 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2c3m s PRO 213 N 0.46 1.22 0.29 -1.40 0.04 -0.48 -4.55 135.00 130.58 2c3m s PRO 213 Ca 0.28 0.97 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 2c3m s PRO 213 Cb 0.25 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 33.01 2c3m s PRO 213 CO -0.17 -2.31 0.67 -3.38 0.04 0.00 0.00 177.00 171.85 2c3m s HIS 214 N -2.86 0.00 -0.11 0.56 -3.43 -1.26 -5.04 115.29 103.16 2c3m s HIS 214 Ca 0.64 -0.46 -0.00 0.00 -0.80 0.00 0.00 55.06 54.44 2c3m s HIS 214 Cb -0.19 0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 31.52 2c3m s HIS 214 CO 0.58 -1.22 -0.08 0.08 -2.00 0.00 0.00 174.74 172.10 2c3m s VAL 215 N -3.75 3.55 0.11 -5.38 1.01 -1.26 -5.02 120.40 109.67 2c3m s VAL 215 Ca 0.15 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.68 2c3m s VAL 215 Cb -0.05 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2c3m s VAL 215 CO 0.08 0.55 -0.16 0.00 0.00 0.00 0.00 175.10 175.57 2c3m s ARG 216 N -0.19 1.04 -0.45 2.72 1.70 -1.26 -4.84 118.95 117.67 2c3m s ARG 216 Ca 0.02 -1.19 -0.01 0.00 -0.47 0.00 0.00 55.73 54.09 2c3m s ARG 216 Cb -0.13 -1.04 0.00 0.00 -0.57 0.00 0.00 34.95 33.21 2c3m s ARG 216 CO 0.03 0.22 0.38 0.41 -1.08 0.00 0.00 175.30 175.25 2c3m n GLY 217 N 0.76 0.19 3.87 3.88 0.00 -1.26 -5.04 105.19 107.58 2c3m n GLY 217 Ca -0.17 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 2c3m n GLY 217 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c3m s THR 218 N -3.13 1.98 -0.17 2.61 -4.23 -1.26 -5.05 115.64 106.39 2c3m s THR 218 Ca 0.03 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.50 2c3m s THR 218 Cb -0.01 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 2c3m s THR 218 CO 0.27 0.00 -0.02 0.00 -0.54 0.00 0.00 174.62 174.33 2c3m s ALA 219 N -3.55 3.04 0.02 3.99 0.00 -1.26 -5.11 121.76 118.89 2c3m s ALA 219 Ca 0.65 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.82 2c3m s ALA 219 Cb -0.10 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 2c3m s ALA 219 CO 0.51 0.08 -0.26 -0.65 0.00 0.00 0.00 175.76 175.45 2c3m s GLN 220 N 0.59 1.87 0.82 0.00 -0.21 -1.26 -5.14 119.66 116.33 2c3m s GLN 220 Ca -0.02 -1.02 -0.08 0.00 0.02 0.00 0.00 55.36 54.26 2c3m s GLN 220 Cb -0.14 -1.95 0.15 0.00 1.00 0.00 0.00 33.01 32.07 2c3m s GLN 220 CO 0.02 0.52 1.14 -0.80 -2.12 0.00 0.00 175.29 174.05 2c3m s ASN 221 N -0.99 3.89 0.61 5.90 0.01 -1.26 -4.78 114.94 118.31 2c3m s ASN 221 Ca 0.11 0.03 0.33 0.00 -0.71 0.00 0.00 52.86 52.61 2c3m s ASN 221 Cb -0.10 -0.30 1.94 0.00 0.41 0.00 0.00 41.25 43.20 2c3m s ASN 221 CO 0.01 -2.20 2.27 -0.65 -1.51 0.00 0.00 177.10 175.02 2c3m h PRO 222 N -1.02 0.00 -0.09 -0.60 0.11 -2.01 -2.42 132.00 125.97 2c3m h PRO 222 Ca -0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 2c3m h PRO 222 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2c3m h PRO 222 CO 0.42 0.00 -0.10 0.38 -0.21 0.00 0.00 178.00 178.50 2c3m h ASP 223 N 0.00 0.13 0.00 -2.05 2.03 -2.05 -3.37 116.42 111.10 2c3m h ASP 223 Ca 0.01 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2c3m h ASP 223 Cb 0.05 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 2c3m h ASP 223 CO -0.00 0.25 0.00 2.30 -1.03 0.00 0.00 179.24 180.76 2c3m n ILE 224 N -4.35 0.00 -0.07 4.15 -5.35 -1.10 -4.88 119.36 107.77 2c3m n ILE 224 Ca -0.01 -0.18 -0.07 0.00 -0.27 0.00 0.00 62.75 62.21 2c3m n ILE 224 Cb 0.22 1.10 -0.01 0.00 -1.74 0.00 0.00 39.64 39.20 2c3m n ILE 224 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 2c3m h TYR 225 N 0.00 -0.08 -0.20 4.28 3.20 -1.61 -1.65 116.97 120.91 2c3m h TYR 225 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2c3m h TYR 225 Cb 0.05 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 2c3m h TYR 225 CO 0.00 -0.08 -0.05 0.35 -1.64 0.00 0.00 178.16 176.73 2c3m h PHE 226 N 0.03 -0.11 -0.90 -3.82 -0.00 -1.86 -0.21 116.94 110.07 2c3m h PHE 226 Ca 0.13 0.02 0.02 0.00 -0.00 0.00 0.00 57.97 58.14 2c3m h PHE 226 Cb 0.18 0.08 -0.05 0.00 -0.00 0.00 0.00 35.95 36.16 2c3m h PHE 226 CO -0.24 -0.09 0.59 1.96 -0.00 0.00 0.00 178.31 180.53 2c3m h GLN 227 N -0.00 1.14 -0.12 1.11 7.50 -1.85 -1.82 115.11 121.07 2c3m h GLN 227 Ca 0.10 -0.07 -0.05 0.00 0.50 0.00 0.00 58.65 59.13 2c3m h GLN 227 Cb 0.15 -0.26 -0.01 0.00 0.05 0.00 0.00 27.48 27.41 2c3m h GLN 227 CO -0.21 0.76 -0.14 0.78 -1.50 0.00 0.00 178.83 178.52 2c3m h GLY 228 N 1.18 0.19 1.83 3.46 0.00 -0.42 -1.93 103.07 107.38 2c3m h GLY 228 Ca 0.35 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.39 2c3m h GLY 228 CO -0.10 0.11 -0.74 -0.09 0.00 0.00 0.00 176.54 175.72 2c3m h ARG 229 N 0.17 0.16 0.00 4.80 9.65 -0.26 -3.16 114.38 125.75 2c3m h ARG 229 Ca 0.04 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2c3m h ARG 229 Cb 0.35 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 2c3m h ARG 229 CO 0.02 0.83 -0.31 0.39 2.80 0.00 0.00 179.97 183.70 2c3m n GLU 230 N -3.74 0.14 0.31 0.20 -0.58 -0.86 -4.07 120.64 112.03 2c3m n GLU 230 Ca -0.02 0.07 0.17 0.00 -0.42 0.00 0.00 57.16 56.96 2c3m n GLU 230 Cb 0.71 -1.62 0.98 0.00 -0.57 0.00 0.00 31.44 30.95 2c3m n GLU 230 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2c3m h ALA 231 N 2.76 1.34 -0.00 0.62 0.00 -1.32 -2.35 119.26 120.30 2c3m h ALA 231 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2c3m h ALA 231 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2c3m h ALA 231 CO 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.22 2c3m n ALA 232 N -2.24 2.68 -0.23 0.00 0.00 -1.26 -4.37 120.51 115.09 2c3m n ALA 232 Ca -0.03 -0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.17 2c3m n ALA 232 Cb 0.10 -1.37 0.14 0.00 0.00 0.00 0.00 19.45 18.32 2c3m n ALA 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2c3m h ASN 233 N 0.70 -0.20 -1.00 0.00 2.35 -1.70 -1.64 115.58 114.08 2c3m h ASN 233 Ca 0.00 0.16 0.21 0.00 -0.55 0.00 0.00 56.30 56.12 2c3m h ASN 233 Cb 0.26 0.26 -0.11 0.00 0.05 0.00 0.00 38.32 38.79 2c3m h ASN 233 CO 0.00 -0.11 0.61 -0.65 -1.65 0.00 0.00 177.43 175.64 2c3m h PRO 234 N 0.16 0.66 -0.29 0.81 0.11 -1.85 -0.99 132.00 130.61 2c3m h PRO 234 Ca 0.37 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.38 2c3m h PRO 234 Cb 0.63 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2c3m h PRO 234 CO -0.55 0.44 -0.05 1.88 -0.21 0.00 0.00 178.00 179.51 2c3m h TYR 235 N 0.68 0.61 -0.15 0.65 0.05 -1.62 -2.97 116.97 114.22 2c3m h TYR 235 Ca 0.59 -0.12 -0.08 0.00 0.05 0.00 0.00 58.73 59.17 2c3m h TYR 235 Cb 1.03 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 2c3m h TYR 235 CO -0.00 0.73 -0.26 1.88 -1.05 0.00 0.00 178.16 179.45 2c3m h TYR 236 N 0.32 0.30 0.00 4.88 -1.99 -1.24 -2.67 116.97 116.57 2c3m h TYR 236 Ca 0.08 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 2c3m h TYR 236 Cb 0.51 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.16 2c3m h TYR 236 CO 0.05 0.51 -0.12 -0.07 -0.00 0.00 0.00 178.16 178.53 2c3m h LEU 237 N 0.24 0.00 0.00 3.88 3.38 -1.07 -2.72 115.31 119.02 2c3m h LEU 237 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2c3m h LEU 237 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2c3m h LEU 237 CO 0.04 0.12 -0.72 0.11 0.09 0.00 0.00 178.44 178.08 2c3m h LYS 238 N 0.00 0.00 -0.32 1.13 1.79 -1.33 -3.40 116.57 114.44 2c3m h LYS 238 Ca -0.00 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 2c3m h LYS 238 Cb 0.23 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.79 2c3m h LYS 238 CO 0.02 0.00 -0.28 0.28 -1.08 0.00 0.00 179.45 178.38 2c3m h VAL 239 N 0.00 0.31 -0.32 0.50 2.07 -1.29 -2.00 116.25 115.52 2c3m h VAL 239 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2c3m h VAL 239 Cb 1.00 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 2c3m h VAL 239 CO 0.00 0.00 -0.12 -0.65 0.02 0.00 0.00 177.57 176.82 2c3m h PRO 240 N -0.26 -0.06 -0.94 1.57 0.11 -1.78 -0.15 132.00 130.50 2c3m h PRO 240 Ca 0.16 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.28 2c3m h PRO 240 Cb 0.50 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.58 2c3m h PRO 240 CO -0.46 -0.04 0.62 0.78 -0.21 0.00 0.00 178.00 178.69 2c3m h GLY 241 N -0.06 1.33 0.94 -0.55 0.00 -1.77 -0.50 103.07 102.46 2c3m h GLY 241 Ca 0.16 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2c3m h GLY 241 CO -0.36 0.49 0.10 -2.22 0.00 0.00 0.00 176.54 174.55 2c3m h ILE 242 N 1.28 1.23 -0.39 2.60 2.04 -0.61 0.56 117.51 124.23 2c3m h ILE 242 Ca 0.34 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 2c3m h ILE 242 Cb -0.14 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2c3m h ILE 242 CO -0.07 0.27 0.22 0.58 0.00 0.00 0.00 178.15 179.15 2c3m h VAL 243 N 0.52 1.14 -0.65 1.67 2.07 -0.62 -1.34 116.25 119.04 2c3m h VAL 243 Ca 0.13 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.30 2c3m h VAL 243 Cb 0.31 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2c3m h VAL 243 CO 0.00 0.15 0.41 0.00 0.02 0.00 0.00 177.57 178.16 2c3m h ALA 244 N 1.08 0.84 -0.39 1.67 0.00 -0.82 -0.66 119.26 120.97 2c3m h ALA 244 Ca 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2c3m h ALA 244 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2c3m h ALA 244 CO -0.02 0.20 0.15 1.49 0.00 0.00 0.00 179.25 181.06 2c3m h GLU 245 N 0.83 0.59 -0.01 0.00 4.57 -0.59 -2.47 114.58 117.49 2c3m h GLU 245 Ca 0.25 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 2c3m h GLU 245 Cb -0.03 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 2c3m h GLU 245 CO -0.08 0.57 -0.46 1.88 -1.18 0.00 0.00 179.01 179.73 2c3m h TYR 246 N 0.49 0.04 -0.77 0.92 -1.99 -0.96 -0.74 116.97 113.95 2c3m h TYR 246 Ca 0.13 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 2c3m h TYR 246 Cb 0.20 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 38.89 2c3m h TYR 246 CO 0.00 0.48 0.43 0.52 -0.00 0.00 0.00 178.16 179.59 2c3m h MET 247 N 0.02 1.07 -0.53 4.88 2.86 -0.90 0.42 114.93 122.76 2c3m h MET 247 Ca -0.00 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.42 2c3m h MET 247 Cb 0.82 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 2c3m h MET 247 CO 0.06 0.79 -0.04 1.96 1.06 0.00 0.00 176.91 180.74 2c3m h GLN 248 N 1.07 0.97 -0.14 1.72 4.20 -0.95 -0.97 115.11 121.00 2c3m h GLN 248 Ca 0.27 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2c3m h GLN 248 Cb 0.03 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2c3m h GLN 248 CO -0.04 1.00 0.02 0.87 -0.67 0.00 0.00 178.83 180.01 2c3m h LYS 249 N 0.84 0.24 -0.69 1.46 1.57 -0.67 -0.76 116.57 118.56 2c3m h LYS 249 Ca 0.15 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2c3m h LYS 249 Cb 0.58 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2c3m h LYS 249 CO 0.04 0.42 0.39 0.28 -0.57 0.00 0.00 179.45 180.00 2c3m h VAL 250 N 0.02 1.20 -0.15 0.50 2.07 -0.90 -1.91 116.25 117.08 2c3m h VAL 250 Ca 0.04 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 2c3m h VAL 250 Cb 0.29 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2c3m h VAL 250 CO 0.00 0.22 -0.18 0.00 0.02 0.00 0.00 177.57 177.63 2c3m h ALA 251 N 1.48 1.42 0.00 1.67 0.00 -0.81 -0.32 119.26 122.70 2c3m h ALA 251 Ca 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2c3m h ALA 251 Cb -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2c3m h ALA 251 CO -0.04 0.40 -0.11 0.66 0.00 0.00 0.00 179.25 180.16 2c3m h SER 252 N 0.23 0.00 0.22 0.00 4.64 -0.31 0.47 113.55 118.80 2c3m h SER 252 Ca 0.04 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.02 2c3m h SER 252 Cb 0.46 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.50 2c3m h SER 252 CO 0.03 0.11 -2.06 0.18 -0.87 0.00 0.00 176.83 174.22 2c3m n LEU 253 N -3.41 1.13 -0.06 5.97 4.77 -0.74 -4.62 117.00 120.04 2c3m n LEU 253 Ca -0.01 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 2c3m n LEU 253 Cb 0.28 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.17 2c3m n LEU 253 CO 0.29 0.56 -0.95 0.35 -1.33 0.00 0.00 177.39 176.32 2c3m n THR 254 N -3.05 0.76 -0.47 -5.08 -2.24 -0.21 -5.00 114.28 98.99 2c3m n THR 254 Ca -0.28 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 2c3m n THR 254 Cb 1.08 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 2c3m n THR 254 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3m n GLY 255 N 1.72 0.83 3.38 3.38 0.00 0.16 -5.02 105.19 109.65 2c3m n GLY 255 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 2c3m n GLY 255 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c3m s ARG 256 N -0.48 2.87 0.12 1.61 0.52 -1.26 -5.04 118.95 117.29 2c3m s ARG 256 Ca 0.00 -1.05 -0.09 0.00 -0.52 0.00 0.00 55.73 54.08 2c3m s ARG 256 Cb 0.00 -3.72 -0.06 0.00 0.52 0.00 0.00 34.95 31.69 2c3m s ARG 256 CO 0.00 -0.68 0.42 -1.12 0.02 0.00 0.00 175.30 173.94 2c3m s SER 257 N 1.56 6.60 0.05 0.23 0.01 -1.26 -4.23 113.70 116.66 2c3m s SER 257 Ca 0.02 0.76 -0.01 0.00 1.31 0.00 0.00 55.95 58.03 2c3m s SER 257 Cb -0.19 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 2c3m s SER 257 CO 0.07 0.11 -0.02 -0.31 0.41 0.00 0.00 173.24 173.50 2c3m s TYR 258 N -1.52 0.47 0.26 2.43 1.51 -1.26 -5.12 117.35 114.12 2c3m s TYR 258 Ca 0.37 -0.98 0.02 0.00 -1.01 0.00 0.00 57.07 55.48 2c3m s TYR 258 Cb -0.13 -0.35 -0.05 0.00 -0.11 0.00 0.00 41.96 41.32 2c3m s TYR 258 CO 0.20 -0.36 0.07 0.15 -1.11 0.00 0.00 175.55 174.49 2c3m s LYS 259 N -3.61 1.44 0.39 -0.62 1.02 -1.26 -4.72 119.74 112.38 2c3m s LYS 259 Ca 0.04 -1.77 0.05 0.00 0.02 0.00 0.00 55.97 54.31 2c3m s LYS 259 Cb 0.06 -0.46 0.78 0.00 -0.52 0.00 0.00 37.83 37.68 2c3m s LYS 259 CO -0.09 -0.23 2.04 -0.07 -0.92 0.00 0.00 175.35 176.08 2c3m h LEU 260 N 2.35 0.57 -7.58 3.17 3.38 -1.93 -3.40 115.31 111.86 2c3m h LEU 260 Ca -0.39 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.23 2c3m h LEU 260 Cb 1.24 -0.14 -0.34 0.00 0.09 0.00 0.00 40.66 41.51 2c3m h LEU 260 CO 0.64 0.41 -0.74 -0.36 0.09 0.00 0.00 178.44 178.47 2c3m s PHE 261 N -5.58 0.25 -0.03 1.13 0.08 -1.26 -0.89 117.98 111.68 2c3m s PHE 261 Ca -0.09 0.03 0.07 0.00 0.12 0.00 0.00 56.93 57.06 2c3m s PHE 261 Cb 0.18 -0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 42.23 2c3m s PHE 261 CO 0.74 -0.12 -0.25 -0.51 -0.10 0.00 0.00 175.22 174.99 2c3m s ASP 262 N 1.05 3.17 -0.08 1.36 -0.00 -0.53 -4.79 116.67 116.85 2c3m s ASP 262 Ca -0.09 -0.44 0.00 0.00 -0.00 0.00 0.00 52.55 52.02 2c3m s ASP 262 Cb -0.13 -0.43 -0.03 0.00 -0.00 0.00 0.00 42.92 42.32 2c3m s ASP 262 CO -0.02 0.32 -0.06 -0.47 -0.00 0.00 0.00 175.17 174.93 2c3m s TYR 263 N -0.59 2.95 0.02 4.23 6.14 -1.26 0.63 117.35 129.47 2c3m s TYR 263 Ca 0.09 -0.01 0.02 0.00 0.64 0.00 0.00 57.07 57.82 2c3m s TYR 263 Cb -0.10 -1.74 -0.02 0.00 0.42 0.00 0.00 41.96 40.52 2c3m s TYR 263 CO -0.01 0.30 -0.07 0.14 0.64 0.00 0.00 175.55 176.55 2c3m s VAL 264 N -0.70 0.50 -0.96 3.14 -7.23 -0.49 -5.00 120.40 109.66 2c3m s VAL 264 Ca 0.11 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2c3m s VAL 264 Cb -0.11 -0.52 0.00 0.00 0.56 0.00 0.00 36.38 36.31 2c3m s VAL 264 CO 0.02 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 2c3m n GLY 265 N 2.06 0.45 3.72 2.32 0.00 -1.26 -0.53 105.19 111.94 2c3m n GLY 265 Ca -0.19 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 2c3m n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m s ALA 266 N -1.81 3.62 0.56 4.61 0.00 -0.29 -4.89 121.76 123.56 2c3m s ALA 266 Ca 0.00 1.15 0.36 0.00 0.00 0.00 0.00 51.96 53.47 2c3m s ALA 266 Cb 0.00 -3.55 1.99 0.00 0.00 0.00 0.00 23.12 21.56 2c3m s ALA 266 CO 0.00 -0.63 2.26 -1.35 0.00 0.00 0.00 175.76 176.04 2c3m h PRO 267 N 6.76 0.00 -0.36 0.00 0.11 -1.96 -1.09 132.00 135.47 2c3m h PRO 267 Ca -0.42 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.57 2c3m h PRO 267 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 2c3m h PRO 267 CO 0.87 0.02 0.01 -0.40 -0.21 0.00 0.00 178.00 178.29 2c3m n ASP 268 N -3.45 3.27 -4.64 -2.05 5.75 -1.26 -4.75 116.55 109.41 2c3m n ASP 268 Ca -0.03 -3.40 -0.44 0.00 -0.01 0.00 0.00 54.79 50.92 2c3m n ASP 268 Cb 0.12 -0.61 -0.01 0.00 -1.03 0.00 0.00 41.12 39.58 2c3m n ASP 268 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2c3m n ALA 269 N -0.82 0.55 -0.04 2.12 0.00 -0.41 -4.85 120.51 117.06 2c3m n ALA 269 Ca 0.29 0.38 0.01 0.00 0.00 0.00 0.00 53.44 54.13 2c3m n ALA 269 Cb 1.02 -2.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.18 2c3m n ALA 269 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2c3m n GLU 270 N 0.81 0.85 -4.47 0.00 1.02 -0.59 -2.62 120.64 115.64 2c3m n GLU 270 Ca 0.08 -0.10 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 2c3m n GLU 270 Cb 0.33 -1.44 -0.16 0.00 -0.02 0.00 0.00 31.44 30.15 2c3m n GLU 270 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2c3m s ARG 271 N -2.89 2.93 -0.01 3.49 0.52 -1.16 -0.42 118.95 121.42 2c3m s ARG 271 Ca -0.08 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 54.36 2c3m s ARG 271 Cb 0.09 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 33.12 2c3m s ARG 271 CO 0.74 -0.09 -0.13 0.08 0.02 0.00 0.00 175.30 175.92 2c3m s VAL 272 N 1.00 1.06 0.05 3.52 1.01 -0.56 -1.46 120.40 125.01 2c3m s VAL 272 Ca -0.03 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2c3m s VAL 272 Cb -0.15 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2c3m s VAL 272 CO -0.06 0.28 0.02 -0.63 0.00 0.00 0.00 175.10 174.71 2c3m s ILE 273 N -0.35 4.21 -0.14 2.22 1.01 -0.56 -0.85 121.20 126.73 2c3m s ILE 273 Ca 0.05 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.96 2c3m s ILE 273 Cb -0.05 -2.95 0.01 0.00 0.01 0.00 0.00 42.46 39.48 2c3m s ILE 273 CO -0.00 0.24 -0.19 -0.69 0.00 0.00 0.00 174.94 174.30 2c3m s VAL 274 N -1.23 1.83 0.19 2.92 1.01 0.25 -0.21 120.40 125.17 2c3m s VAL 274 Ca 0.24 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 2c3m s VAL 274 Cb -0.12 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2c3m s VAL 274 CO 0.15 0.50 0.31 -0.55 0.00 0.00 0.00 175.10 175.51 2c3m s SER 275 N 1.03 0.03 -0.00 3.32 0.15 -0.99 -1.20 113.70 116.04 2c3m s SER 275 Ca -0.03 -0.99 0.01 0.00 0.70 0.00 0.00 55.95 55.63 2c3m s SER 275 Cb -0.15 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2c3m s SER 275 CO -0.05 -0.95 -0.02 -0.32 1.20 0.00 0.00 173.24 173.10 2c3m s MET 276 N -4.02 0.18 0.30 5.44 1.75 -1.26 -1.84 119.30 119.86 2c3m s MET 276 Ca 0.23 -0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.59 2c3m s MET 276 Cb 0.03 -0.18 0.00 0.00 2.84 0.00 0.00 34.83 37.52 2c3m s MET 276 CO 0.05 0.05 0.00 0.41 -0.65 0.00 0.00 175.02 174.88 2c3m n GLY 277 N 3.03 -1.79 0.35 2.11 0.00 -1.26 -4.46 105.19 103.17 2c3m n GLY 277 Ca -0.12 -1.88 0.18 0.00 0.00 0.00 0.00 46.02 44.19 2c3m n GLY 277 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2c3m h SER 278 N 0.00 0.00 0.01 1.61 4.64 -1.78 -1.18 113.55 116.85 2c3m h SER 278 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c3m h SER 278 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2c3m h SER 278 CO 0.00 0.00 -0.01 0.77 -0.87 0.00 0.00 176.83 176.72 2c3m h SER 279 N 0.00 0.00 -0.39 4.97 4.64 -1.86 -2.19 113.55 118.72 2c3m h SER 279 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2c3m h SER 279 Cb 0.69 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 2c3m h SER 279 CO -0.00 0.01 0.26 0.00 -0.87 0.00 0.00 176.83 176.22 2c3m h GLU 281 N 0.53 0.10 -0.69 0.00 4.39 -1.59 -1.05 114.58 116.27 2c3m h GLU 281 Ca 0.14 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 2c3m h GLU 281 Cb -0.06 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 2c3m h GLU 281 CO -0.03 0.28 0.15 1.15 -1.16 0.00 0.00 179.01 179.41 2c3m h THR 282 N -0.10 1.26 -0.68 1.13 2.02 -1.27 -1.78 112.91 113.49 2c3m h THR 282 Ca 0.02 -0.98 -0.05 0.00 0.77 0.00 0.00 66.41 66.17 2c3m h THR 282 Cb 0.23 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2c3m h THR 282 CO -0.00 0.37 0.23 0.40 0.37 0.00 0.00 175.52 176.90 2c3m h ILE 283 N 1.04 1.25 -0.52 3.11 2.04 -0.99 -2.05 117.51 121.38 2c3m h ILE 283 Ca 0.21 -0.84 -0.09 0.00 1.00 0.00 0.00 64.86 65.15 2c3m h ILE 283 Cb 0.38 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2c3m h ILE 283 CO 0.00 0.33 -0.04 -0.08 0.00 0.00 0.00 178.15 178.36 2c3m h GLU 284 N 0.99 0.92 -0.44 2.37 4.81 -0.89 -0.36 114.58 121.97 2c3m h GLU 284 Ca 0.22 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2c3m h GLU 284 Cb 0.27 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 2c3m h GLU 284 CO -0.01 0.93 0.22 1.49 -0.73 0.00 0.00 179.01 180.91 2c3m h GLU 285 N 0.84 0.43 -0.61 1.92 4.81 -1.00 -0.71 114.58 120.25 2c3m h GLU 285 Ca 0.15 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2c3m h GLU 285 Cb 0.55 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2c3m h GLU 285 CO 0.03 0.28 0.08 0.28 -0.73 0.00 0.00 179.01 178.95 2c3m h VAL 286 N 0.44 1.26 -0.27 0.32 2.07 -1.07 -2.67 116.25 116.33 2c3m h VAL 286 Ca 0.19 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.70 2c3m h VAL 286 Cb 0.09 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2c3m h VAL 286 CO -0.13 0.38 0.07 0.40 0.02 0.00 0.00 177.57 178.31 2c3m h ILE 287 N 0.93 0.90 -1.00 4.57 2.04 -0.43 0.67 117.51 125.20 2c3m h ILE 287 Ca 0.18 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 66.05 2c3m h ILE 287 Cb 0.46 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 2c3m h ILE 287 CO 0.02 0.03 0.64 0.78 0.00 0.00 0.00 178.15 179.62 2c3m h ASN 288 N 0.18 1.03 -0.30 1.72 2.35 -0.99 0.47 115.58 120.04 2c3m h ASN 288 Ca 0.12 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2c3m h ASN 288 Cb 0.10 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2c3m h ASN 288 CO -0.14 0.65 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.54 2c3m h HIS 289 N 1.16 0.59 0.10 1.19 2.76 -0.98 -2.90 115.15 117.07 2c3m h HIS 289 Ca 0.43 -0.11 -0.27 0.00 -2.20 0.00 0.00 60.37 58.22 2c3m h HIS 289 Cb 0.17 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 28.99 2c3m h HIS 289 CO -0.00 0.69 -1.17 -0.07 -1.30 0.00 0.00 177.93 176.08 2c3m h LEU 290 N 0.32 0.59 -1.60 0.26 4.07 -0.47 -3.24 115.31 115.25 2c3m h LEU 290 Ca 0.08 -0.56 0.01 0.00 0.08 0.00 0.00 57.88 57.49 2c3m h LEU 290 Cb 0.46 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 2c3m h LEU 290 CO 0.02 1.40 0.28 0.00 -1.08 0.00 0.00 178.44 179.06 2c3m h ALA 291 N 0.54 1.72 -0.15 1.53 0.00 -0.14 0.42 119.26 123.18 2c3m h ALA 291 Ca -0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2c3m h ALA 291 Cb 1.85 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2c3m h ALA 291 CO 0.20 0.25 0.03 0.00 0.00 0.00 0.00 179.25 179.74 2c3m h ALA 292 N 1.74 1.78 -0.28 0.00 0.00 -1.53 -0.22 119.26 120.75 2c3m h ALA 292 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2c3m h ALA 292 Cb -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2c3m h ALA 292 CO -0.04 0.17 0.00 1.63 0.00 0.00 0.00 179.25 181.02 2c3m n LYS 293 N -4.44 1.69 -0.39 0.00 5.02 0.10 -4.90 118.16 115.24 2c3m n LYS 293 Ca -0.01 -1.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.21 2c3m n LYS 293 Cb 0.13 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2c3m n LYS 293 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3m n GLY 294 N 0.99 0.71 3.72 0.72 0.00 -0.09 -5.05 105.19 106.19 2c3m n GLY 294 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2c3m n GLY 294 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3m s GLU 295 N -0.60 4.38 -1.04 1.61 2.02 -0.99 -4.95 118.70 119.14 2c3m s GLU 295 Ca 0.00 1.97 -0.17 0.00 0.02 0.00 0.00 54.97 56.79 2c3m s GLU 295 Cb 0.00 -3.26 0.14 0.00 0.10 0.00 0.00 34.13 31.11 2c3m s GLU 295 CO 0.00 -0.31 1.27 0.15 0.02 0.00 0.00 175.26 176.39 2c3m s LYS 296 N 0.64 3.78 0.10 1.61 -0.14 -1.26 -4.26 119.74 120.20 2c3m s LYS 296 Ca 0.60 -2.00 0.02 0.00 -1.36 0.00 0.00 55.97 53.23 2c3m s LYS 296 Cb -0.34 -5.02 -0.04 0.00 -1.68 0.00 0.00 37.83 30.75 2c3m s LYS 296 CO 0.33 -1.82 -0.07 0.96 -0.76 0.00 0.00 175.35 173.99 2c3m s ILE 297 N 2.52 0.77 0.34 2.17 -4.36 -1.26 -1.54 121.20 119.84 2c3m s ILE 297 Ca 0.38 -1.87 -0.10 0.00 -0.26 0.00 0.00 60.65 58.80 2c3m s ILE 297 Cb -0.03 -1.60 0.02 0.00 1.25 0.00 0.00 42.46 42.10 2c3m s ILE 297 CO -0.06 -0.79 0.60 -0.83 0.24 0.00 0.00 174.94 174.10 2c3m s GLY 298 N -2.90 0.84 -0.08 6.27 0.00 -0.53 -1.13 107.32 109.78 2c3m s GLY 298 Ca 0.10 -1.07 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 2c3m s GLY 298 CO -0.03 -0.64 0.22 -2.27 0.00 0.00 0.00 173.10 170.38 2c3m s LEU 299 N -3.12 0.99 -0.28 0.66 2.96 0.31 -1.50 118.68 118.70 2c3m s LEU 299 Ca 0.23 0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 54.51 2c3m s LEU 299 Cb -0.02 0.71 0.00 0.00 0.50 0.00 0.00 46.19 47.38 2c3m s LEU 299 CO 0.14 -0.10 0.06 -0.63 -1.32 0.00 0.00 176.35 174.51 2c3m s ILE 300 N 0.42 3.91 -0.17 6.68 1.01 0.70 -1.40 121.20 132.35 2c3m s ILE 300 Ca -0.03 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 2c3m s ILE 300 Cb -0.04 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2c3m s ILE 300 CO -0.02 0.17 0.56 -0.54 0.00 0.00 0.00 174.94 175.11 2c3m s LYS 301 N 1.51 4.25 -0.28 2.79 1.02 0.20 -2.35 119.74 126.88 2c3m s LYS 301 Ca 0.03 0.52 -0.21 0.00 0.02 0.00 0.00 55.97 56.34 2c3m s LYS 301 Cb -0.16 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.60 2c3m s LYS 301 CO 0.02 -0.10 0.65 0.08 -0.92 0.00 0.00 175.35 175.08 2c3m s VAL 302 N 1.45 4.94 -0.14 3.17 1.01 -0.76 -1.45 120.40 128.61 2c3m s VAL 302 Ca 0.27 1.02 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 2c3m s VAL 302 Cb -0.16 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2c3m s VAL 302 CO 0.11 -0.08 -0.28 0.54 0.00 0.00 0.00 175.10 175.38 2c3m n ARG 303 N 5.85 0.43 -3.14 2.72 3.00 -0.07 -4.56 116.66 120.88 2c3m n ARG 303 Ca -0.00 0.17 -0.43 0.00 -0.01 0.00 0.00 57.85 57.57 2c3m n ARG 303 Cb 0.49 -1.24 -0.06 0.00 0.00 0.00 0.00 32.46 31.64 2c3m n ARG 303 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2c3m s LEU 304 N -7.38 4.80 0.02 0.55 2.96 -0.82 -0.32 118.68 118.49 2c3m s LEU 304 Ca -0.23 -0.73 -0.07 0.00 -0.22 0.00 0.00 54.13 52.87 2c3m s LEU 304 Cb 0.03 -2.53 -0.30 0.00 0.50 0.00 0.00 46.19 43.89 2c3m s LEU 304 CO 0.34 -0.86 0.94 0.22 -1.32 0.00 0.00 176.35 175.67 2c3m h TYR 305 N 8.97 0.62 -3.44 5.38 3.20 -1.06 -3.44 116.97 127.20 2c3m h TYR 305 Ca -0.27 -0.45 -0.30 0.00 3.14 0.00 0.00 58.73 60.86 2c3m h TYR 305 Cb 1.09 -0.02 -0.34 0.00 1.54 0.00 0.00 36.73 39.00 2c3m h TYR 305 CO 0.75 1.43 -0.70 1.03 -1.64 0.00 0.00 178.16 179.03 2c3m s ARG 306 N -2.62 -0.02 0.59 1.82 1.81 -1.09 -3.12 118.95 116.33 2c3m s ARG 306 Ca -0.09 0.25 -0.18 0.00 -1.72 0.00 0.00 55.73 53.99 2c3m s ARG 306 Cb 0.06 -0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.27 2c3m s ARG 306 CO 0.88 -0.19 1.17 -2.14 -0.68 0.00 0.00 175.30 174.35 2c3m s PRO 307 N 1.22 3.03 -0.40 3.54 0.02 -1.26 0.02 135.00 141.17 2c3m s PRO 307 Ca -0.08 1.71 -0.21 0.00 0.02 0.00 0.00 61.00 62.44 2c3m s PRO 307 Cb -0.13 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.46 2c3m s PRO 307 CO -0.04 -1.13 0.67 0.12 -0.33 0.00 0.00 177.00 176.30 2c3m s PHE 308 N -1.75 3.09 -0.46 6.54 5.36 -1.18 -4.94 117.98 124.64 2c3m s PHE 308 Ca 0.75 0.18 -0.16 0.00 -0.96 0.00 0.00 56.93 56.74 2c3m s PHE 308 Cb -0.27 -3.32 0.05 0.00 -0.34 0.00 0.00 43.02 39.15 2c3m s PHE 308 CO 0.32 -0.78 0.40 0.08 -1.46 0.00 0.00 175.22 173.79 2c3m s VAL 309 N 2.87 5.19 0.34 3.12 1.01 -1.26 -4.95 120.40 126.71 2c3m s VAL 309 Ca 0.25 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2c3m s VAL 309 Cb -0.14 -4.09 0.23 0.00 0.00 0.00 0.00 36.38 32.39 2c3m s VAL 309 CO 0.18 -0.53 1.97 0.77 0.00 0.00 0.00 175.10 177.49 2c3m h SER 310 N 8.75 0.71 -0.82 3.32 4.64 -1.98 -2.38 113.55 125.78 2c3m h SER 310 Ca -0.28 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 2c3m h SER 310 Cb 1.11 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.98 2c3m h SER 310 CO 0.85 0.57 0.46 -0.08 -0.87 0.00 0.00 176.83 177.76 2c3m h GLU 311 N 0.81 1.15 -0.04 4.77 4.81 -1.99 -1.05 114.58 123.04 2c3m h GLU 311 Ca 0.21 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 59.16 2c3m h GLU 311 Cb 0.01 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2c3m h GLU 311 CO -0.04 0.83 -0.68 0.00 -0.73 0.00 0.00 179.01 178.40 2c3m h ALA 312 N 1.35 0.79 -0.10 2.92 0.00 -1.88 -1.75 119.26 120.60 2c3m h ALA 312 Ca 0.29 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2c3m h ALA 312 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2c3m h ALA 312 CO -0.05 0.80 0.01 0.35 0.00 0.00 0.00 179.25 180.36 2c3m h PHE 313 N 0.12 0.18 0.00 0.00 3.57 -0.93 -2.94 116.94 116.93 2c3m h PHE 313 Ca -0.01 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 2c3m h PHE 313 Cb 1.22 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2c3m h PHE 313 CO 0.02 0.39 -0.23 0.74 -2.23 0.00 0.00 178.31 177.00 2c3m h PHE 314 N -0.09 0.00 0.00 0.41 -1.00 -1.18 -1.99 116.94 113.10 2c3m h PHE 314 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2c3m h PHE 314 Cb 0.32 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.88 2c3m h PHE 314 CO 0.02 0.23 0.00 0.00 -1.61 0.00 0.00 178.31 176.95 2c3m h ALA 315 N 1.77 1.00 -0.02 2.45 0.00 -1.14 -2.11 119.26 121.21 2c3m h ALA 315 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c3m h ALA 315 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2c3m h ALA 315 CO 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 179.25 179.11 2c3m n ALA 316 N -2.01 2.83 -2.65 0.00 0.00 -0.77 -4.94 120.51 112.97 2c3m n ALA 316 Ca 0.00 -0.62 -0.39 0.00 0.00 0.00 0.00 53.44 52.44 2c3m n ALA 316 Cb 0.23 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 2c3m n ALA 316 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2c3m s LEU 317 N -1.85 4.11 0.16 0.00 1.98 -0.80 -4.62 118.68 117.66 2c3m s LEU 317 Ca 0.19 0.48 -0.31 0.00 -2.89 0.00 0.00 54.13 51.61 2c3m s LEU 317 Cb 0.15 -2.53 -0.09 0.00 0.66 0.00 0.00 46.19 44.38 2c3m s LEU 317 CO 0.34 -0.14 1.36 -2.84 -1.89 0.00 0.00 176.35 173.18 2c3m s PRO 318 N 1.64 4.34 0.63 0.98 0.02 -1.26 -4.89 135.00 136.47 2c3m s PRO 318 Ca 0.19 2.09 0.35 0.00 0.02 0.00 0.00 61.00 63.66 2c3m s PRO 318 Cb -0.15 -3.21 2.01 0.00 0.02 0.00 0.00 34.50 33.17 2c3m s PRO 318 CO 0.09 -0.36 2.23 0.00 -0.33 0.00 0.00 177.00 178.63 2c3m h ALA 319 N 6.01 1.36 0.00 -1.55 0.00 -1.92 -1.57 119.26 121.59 2c3m h ALA 319 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2c3m h ALA 319 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2c3m h ALA 319 CO 0.82 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.83 2c3m n SER 320 N -3.42 0.34 -4.68 0.00 3.41 -1.26 -4.87 113.62 103.14 2c3m n SER 320 Ca -0.02 0.54 -0.43 0.00 -0.26 0.00 0.00 58.87 58.71 2c3m n SER 320 Cb 0.17 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 2c3m n SER 320 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c3m n ALA 321 N -1.63 1.89 -0.03 7.33 0.00 -0.60 -4.36 120.51 123.11 2c3m n ALA 321 Ca 0.05 0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.77 2c3m n ALA 321 Cb 0.33 -2.61 -0.09 0.00 0.00 0.00 0.00 19.45 17.09 2c3m n ALA 321 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2c3m n LYS 322 N 6.23 1.47 -4.13 0.00 4.76 0.44 -4.80 118.16 122.12 2c3m n LYS 322 Ca 0.19 -0.05 -0.17 0.00 -2.87 0.00 0.00 58.31 55.41 2c3m n LYS 322 Cb 0.38 -1.27 -0.15 0.00 -1.84 0.00 0.00 35.03 32.14 2c3m n LYS 322 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2c3m s VAL 323 N -2.48 0.42 -0.05 -0.18 1.01 -0.79 -1.61 120.40 116.72 2c3m s VAL 323 Ca -0.05 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2c3m s VAL 323 Cb 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 36.03 2c3m s VAL 323 CO 0.45 0.16 -0.09 -0.63 0.00 0.00 0.00 175.10 174.99 2c3m s ILE 324 N 0.39 0.90 -0.18 2.22 1.01 0.39 -1.50 121.20 124.42 2c3m s ILE 324 Ca -0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 2c3m s ILE 324 Cb -0.08 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 2c3m s ILE 324 CO -0.00 0.30 -0.09 -0.89 0.00 0.00 0.00 174.94 174.26 2c3m s THR 325 N 0.68 3.14 -0.30 2.92 2.01 -0.03 0.30 115.64 124.37 2c3m s THR 325 Ca -0.12 -0.59 -0.09 0.00 0.31 0.00 0.00 61.69 61.19 2c3m s THR 325 Cb -0.15 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 2c3m s THR 325 CO 0.02 0.47 0.14 -0.69 -0.69 0.00 0.00 174.62 173.88 2c3m s VAL 326 N 1.04 4.66 -0.20 3.82 1.01 0.37 -0.58 120.40 130.52 2c3m s VAL 326 Ca -0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 2c3m s VAL 326 Cb -0.15 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2c3m s VAL 326 CO -0.01 0.14 0.28 -0.76 0.00 0.00 0.00 175.10 174.75 2c3m s LEU 327 N 1.64 4.17 -0.12 3.92 1.43 -0.34 -1.78 118.68 127.60 2c3m s LEU 327 Ca 0.05 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 2c3m s LEU 327 Cb -0.17 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 2c3m s LEU 327 CO 0.06 0.03 -0.13 -1.81 0.23 0.00 0.00 176.35 174.74 2c3m s ASP 328 N 0.82 4.03 -0.93 2.29 1.01 -0.18 -4.54 116.67 119.17 2c3m s ASP 328 Ca 0.14 -0.31 -0.03 0.00 0.71 0.00 0.00 52.55 53.07 2c3m s ASP 328 Cb -0.14 -1.51 0.23 0.00 1.01 0.00 0.00 42.92 42.51 2c3m s ASP 328 CO 0.05 0.19 2.21 -1.14 0.21 0.00 0.00 175.17 176.68 2c3m n ARG 329 N 3.36 3.93 -3.74 8.23 0.63 -1.26 -2.81 116.66 124.99 2c3m n ARG 329 Ca -0.18 -3.61 -0.08 0.00 -0.92 0.00 0.00 57.85 53.06 2c3m n ARG 329 Cb 0.53 -2.39 0.03 0.00 0.45 0.00 0.00 32.46 31.08 2c3m n ARG 329 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2c3m n THR 330 N 0.41 0.00 -3.60 5.15 5.66 -1.26 -0.26 114.28 120.38 2c3m n THR 330 Ca 0.53 -0.89 -0.12 0.00 -3.05 0.00 0.00 64.05 60.51 2c3m n THR 330 Cb 0.31 0.93 -0.11 0.00 -1.55 0.00 0.00 70.33 69.91 2c3m n THR 330 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2c3m s LYS 331 N -2.08 0.23 -0.51 1.09 2.20 -1.26 -4.83 119.74 114.57 2c3m s LYS 331 Ca 0.17 0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 56.49 2c3m s LYS 331 Cb -0.04 -0.13 0.13 0.00 -1.51 0.00 0.00 37.83 36.28 2c3m s LYS 331 CO 0.10 -0.37 0.30 -1.21 -0.36 0.00 0.00 175.35 173.82 2c3m s GLU 332 N 2.48 2.21 -0.06 4.03 2.02 -1.26 -5.07 118.70 123.05 2c3m s GLU 332 Ca 0.03 -2.20 -0.37 0.00 0.02 0.00 0.00 54.97 52.45 2c3m s GLU 332 Cb -0.13 -3.60 -0.15 0.00 0.10 0.00 0.00 34.13 30.34 2c3m s GLU 332 CO -0.11 -1.11 1.59 -2.30 0.02 0.00 0.00 175.26 173.34 2c3m n PRO 333 N 3.98 1.39 -0.07 0.39 -0.02 -1.26 -1.61 135.00 137.80 2c3m n PRO 333 Ca 0.03 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2c3m n PRO 333 Cb 0.39 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2c3m n PRO 333 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c3m n GLY 334 N 3.48 2.17 3.78 -1.23 0.00 -1.26 -5.03 105.19 107.09 2c3m n GLY 334 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 2c3m n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m s ALA 335 N -2.84 2.69 -0.62 4.61 0.00 -0.63 -4.89 121.76 120.08 2c3m s ALA 335 Ca 0.00 0.69 0.21 0.00 0.00 0.00 0.00 51.96 52.86 2c3m s ALA 335 Cb 0.00 -3.32 0.89 0.00 0.00 0.00 0.00 23.12 20.69 2c3m s ALA 335 CO 0.00 -0.79 1.65 -0.35 0.00 0.00 0.00 175.76 176.27 2c3m n PRO 336 N -1.53 0.15 -3.64 0.00 -0.04 -1.26 -4.83 135.00 123.84 2c3m n PRO 336 Ca 0.11 0.38 -0.02 0.00 -0.04 0.00 0.00 63.50 63.92 2c3m n PRO 336 Cb 0.52 -1.78 -0.02 0.00 -0.04 0.00 0.00 33.50 32.18 2c3m n PRO 336 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2c3m s GLY 337 N -3.41 -0.21 0.74 0.55 0.00 -1.26 -5.09 107.32 98.65 2c3m s GLY 337 Ca 0.05 1.90 -0.11 0.00 0.00 0.00 0.00 44.72 46.56 2c3m s GLY 337 CO 0.36 0.63 1.08 0.99 0.00 0.00 0.00 173.10 176.16 2c3m s ASP 338 N -2.03 5.01 0.18 1.64 1.01 -1.26 -4.79 116.67 116.42 2c3m s ASP 338 Ca 0.12 1.42 -0.26 0.00 0.71 0.00 0.00 52.55 54.53 2c3m s ASP 338 Cb -0.01 -2.23 0.04 0.00 1.01 0.00 0.00 42.92 41.73 2c3m s ASP 338 CO -0.02 -1.66 1.56 -0.65 0.21 0.00 0.00 175.17 174.61 2c3m h PRO 339 N -0.87 -0.14 -0.67 8.23 0.11 -1.99 -1.83 132.00 134.84 2c3m h PRO 339 Ca -0.45 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2c3m h PRO 339 Cb 1.24 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 2c3m h PRO 339 CO 0.59 -0.09 0.25 1.25 -0.21 0.00 0.00 178.00 179.78 2c3m h LEU 340 N -0.14 0.95 -0.37 2.35 5.85 -1.94 -1.67 115.31 120.35 2c3m h LEU 340 Ca 0.20 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2c3m h LEU 340 Cb 0.53 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2c3m h LEU 340 CO -0.81 0.88 0.19 0.22 -0.34 0.00 0.00 178.44 178.58 2c3m h TYR 341 N 0.97 0.34 -0.91 1.25 3.20 -1.81 -1.24 116.97 118.77 2c3m h TYR 341 Ca 0.22 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 2c3m h TYR 341 Cb 0.24 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 2c3m h TYR 341 CO 0.02 0.18 0.56 -0.07 -1.64 0.00 0.00 178.16 177.21 2c3m h LEU 342 N 0.38 1.09 -0.58 2.82 4.07 -0.98 -0.36 115.31 121.75 2c3m h LEU 342 Ca 0.15 -0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.99 2c3m h LEU 342 Cb 0.06 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.50 2c3m h LEU 342 CO -0.10 0.83 0.12 0.44 -1.08 0.00 0.00 178.44 178.64 2c3m h ASP 343 N 1.25 0.90 -0.58 -0.43 3.32 -0.85 -2.04 116.42 117.99 2c3m h ASP 343 Ca 0.33 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2c3m h ASP 343 Cb -0.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2c3m h ASP 343 CO -0.06 0.91 0.00 0.58 -1.72 0.00 0.00 179.24 178.95 2c3m h VAL 344 N 0.84 1.26 -0.41 -1.35 2.07 -0.87 -1.99 116.25 115.80 2c3m h VAL 344 Ca 0.18 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2c3m h VAL 344 Cb 0.38 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2c3m h VAL 344 CO 0.01 0.41 0.27 0.00 0.02 0.00 0.00 177.57 178.28 2c3m h SER 346 N 0.56 0.52 -0.33 0.00 4.64 -1.17 -0.66 113.55 117.11 2c3m h SER 346 Ca 0.15 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2c3m h SER 346 Cb -0.06 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 2c3m h SER 346 CO -0.03 0.41 0.18 0.00 -0.87 0.00 0.00 176.83 176.52 2c3m h ALA 347 N 1.68 0.42 -0.37 5.18 0.00 -0.57 -1.09 119.26 124.50 2c3m h ALA 347 Ca 0.16 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2c3m h ALA 347 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2c3m h ALA 347 CO -0.03 -0.05 -0.33 0.74 0.00 0.00 0.00 179.25 179.58 2c3m h PHE 348 N 0.41 0.97 -0.43 0.00 -1.00 -0.84 -2.39 116.94 113.66 2c3m h PHE 348 Ca 0.11 -0.27 -0.02 0.00 2.81 0.00 0.00 57.97 60.61 2c3m h PHE 348 Cb 0.06 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 2c3m h PHE 348 CO -0.03 1.04 0.20 0.28 -1.61 0.00 0.00 178.31 178.19 2c3m h VAL 349 N 0.70 1.18 -0.28 -0.55 2.07 -0.95 -2.86 116.25 115.57 2c3m h VAL 349 Ca 0.07 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 2c3m h VAL 349 Cb 0.88 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2c3m h VAL 349 CO 0.08 0.20 -0.25 -0.33 0.02 0.00 0.00 177.57 177.29 2c3m h GLU 350 N 0.55 0.54 -0.90 1.57 5.08 -1.17 -2.94 114.58 117.30 2c3m h GLU 350 Ca 0.15 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2c3m h GLU 350 Cb 0.13 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2c3m h GLU 350 CO -0.02 0.75 0.57 -0.09 -1.00 0.00 0.00 179.01 179.21 2c3m h ARG 351 N 0.47 1.21 -0.32 2.33 2.43 -1.24 -3.46 114.38 115.80 2c3m h ARG 351 Ca 0.07 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 2c3m h ARG 351 Cb 0.69 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 2c3m h ARG 351 CO 0.05 0.82 -0.12 0.41 -1.51 0.00 0.00 179.97 179.62 2c3m n GLY 352 N -1.32 0.83 0.00 2.80 0.00 -1.09 -4.97 105.19 101.43 2c3m n GLY 352 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2c3m n GLY 352 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3m n GLU 353 N -1.90 1.89 -1.70 1.61 1.02 -1.26 -5.05 120.64 115.26 2c3m n GLU 353 Ca -0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 2c3m n GLU 353 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 2c3m n GLU 353 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2c3m n ALA 354 N -3.00 1.29 -3.86 0.62 0.00 -1.26 -4.97 120.51 109.33 2c3m n ALA 354 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 53.44 53.47 2c3m n ALA 354 Cb 0.00 -2.26 -0.13 0.00 0.00 0.00 0.00 19.45 17.07 2c3m n ALA 354 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2c3m s MET 355 N -2.01 2.02 0.94 0.00 -1.94 -1.26 -5.03 119.30 112.03 2c3m s MET 355 Ca 0.58 -2.82 -0.12 0.00 -1.71 0.00 0.00 55.69 51.62 2c3m s MET 355 Cb -0.54 -3.09 0.16 0.00 2.01 0.00 0.00 34.83 33.36 2c3m s MET 355 CO 0.61 -1.21 1.09 -1.25 -0.01 0.00 0.00 175.02 174.24 2c3m s PRO 356 N -0.69 0.87 0.10 2.03 0.04 -1.26 -4.93 135.00 131.16 2c3m s PRO 356 Ca 0.22 0.80 -0.31 0.00 0.04 0.00 0.00 61.00 61.75 2c3m s PRO 356 Cb -0.14 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 2c3m s PRO 356 CO -0.09 -2.50 1.32 0.21 0.04 0.00 0.00 177.00 175.98 2c3m s LYS 357 N -4.88 4.36 -0.19 4.56 2.47 -0.63 -4.89 119.74 120.54 2c3m s LYS 357 Ca 0.64 1.97 -0.03 0.00 -1.56 0.00 0.00 55.97 57.00 2c3m s LYS 357 Cb -0.19 -3.28 -0.01 0.00 -1.46 0.00 0.00 37.83 32.89 2c3m s LYS 357 CO 0.58 -0.37 -0.06 0.42 0.16 0.00 0.00 175.35 176.08 2c3m s ILE 358 N 1.02 3.41 0.06 5.43 -1.09 -1.26 -0.46 121.20 128.30 2c3m s ILE 358 Ca 0.62 -0.50 0.06 0.00 -2.23 0.00 0.00 60.65 58.60 2c3m s ILE 358 Cb -0.34 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 2c3m s ILE 358 CO 0.30 0.45 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.58 2c3m s LEU 359 N 1.06 2.90 -0.11 2.97 1.02 0.15 -4.98 118.68 121.69 2c3m s LEU 359 Ca 0.01 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.80 2c3m s LEU 359 Cb -0.15 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 2c3m s LEU 359 CO -0.00 0.23 -0.11 0.00 0.02 0.00 0.00 176.35 176.48 2c3m s ALA 360 N -1.06 2.72 0.01 4.21 0.00 -1.26 -0.48 121.76 125.90 2c3m s ALA 360 Ca 0.18 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.25 2c3m s ALA 360 Cb -0.11 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 2c3m s ALA 360 CO 0.09 0.34 -0.04 0.20 0.00 0.00 0.00 175.76 176.35 2c3m s GLY 361 N 0.01 0.22 -0.08 0.00 0.00 -0.73 -0.82 107.32 105.92 2c3m s GLY 361 Ca -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.41 2c3m s GLY 361 CO 0.04 -0.30 -0.11 -1.60 0.00 0.00 0.00 173.10 171.12 2c3m s ARG 362 N -0.52 2.81 0.31 2.90 3.52 0.53 -1.01 118.95 127.49 2c3m s ARG 362 Ca -0.03 -0.64 -0.07 0.00 -0.13 0.00 0.00 55.73 54.86 2c3m s ARG 362 Cb -0.04 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 2c3m s ARG 362 CO -0.00 0.54 0.50 1.52 -0.81 0.00 0.00 175.30 177.04 2c3m s TYR 363 N -0.49 0.73 -1.10 5.12 1.13 -1.12 -1.50 117.35 120.11 2c3m s TYR 363 Ca 0.07 -1.05 0.00 0.00 -1.41 0.00 0.00 57.07 54.67 2c3m s TYR 363 Cb -0.12 0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 2c3m s TYR 363 CO 0.02 -1.12 0.00 0.41 -2.51 0.00 0.00 175.55 172.35 2c3m n GLY 364 N -0.49 0.77 3.75 5.49 0.00 -1.26 -4.39 105.19 109.05 2c3m n GLY 364 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2c3m n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c3m s LEU 365 N -3.77 4.36 -1.38 0.99 1.43 -1.26 -2.65 118.68 116.40 2c3m s LEU 365 Ca 0.00 2.83 -0.06 0.00 -1.03 0.00 0.00 54.13 55.88 2c3m s LEU 365 Cb 0.00 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.62 2c3m s LEU 365 CO 0.00 -0.83 0.87 0.61 0.23 0.00 0.00 176.35 177.23 2c3m n GLY 366 N 2.21 -0.39 2.47 -3.19 0.00 -1.17 -1.79 105.19 103.33 2c3m n GLY 366 Ca 0.08 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 2c3m n GLY 366 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c3m n SER 367 N -2.98 -5.32 -4.72 1.61 7.64 0.10 -4.61 113.62 105.34 2c3m n SER 367 Ca -0.15 0.27 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 2c3m n SER 367 Cb 0.61 -4.43 -0.02 0.00 -1.01 0.00 0.00 64.21 59.37 2c3m n SER 367 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2c3m n LYS 368 N -2.60 2.39 -1.65 1.43 3.00 -0.74 -4.86 118.16 115.14 2c3m n LYS 368 Ca -0.20 0.85 -0.44 0.00 -0.00 0.00 0.00 58.31 58.52 2c3m n LYS 368 Cb 0.64 -2.55 -0.01 0.00 0.00 0.00 0.00 35.03 33.10 2c3m n LYS 368 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2c3m n GLU 369 N 1.68 1.79 -3.70 1.64 -0.58 -1.26 -4.24 120.64 115.97 2c3m n GLU 369 Ca 0.08 0.63 -0.29 0.00 -0.42 0.00 0.00 57.16 57.16 2c3m n GLU 369 Cb 0.35 -2.13 -0.13 0.00 -0.57 0.00 0.00 31.44 28.97 2c3m n GLU 369 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2c3m s PHE 370 N -0.97 2.11 0.61 -0.32 5.99 -1.26 -4.66 117.98 119.48 2c3m s PHE 370 Ca 0.58 -2.55 0.00 0.00 0.00 0.00 0.00 56.93 54.96 2c3m s PHE 370 Cb -0.64 -1.90 0.06 0.00 0.00 0.00 0.00 43.02 40.55 2c3m s PHE 370 CO 0.60 -0.75 0.86 -1.54 -0.00 0.00 0.00 175.22 174.38 2c3m s SER 371 N 0.06 4.97 0.27 6.13 1.04 -1.26 -4.78 113.70 120.13 2c3m s SER 371 Ca 0.20 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 2c3m s SER 371 Cb -0.18 -0.63 0.39 0.00 0.10 0.00 0.00 66.02 65.70 2c3m s SER 371 CO -0.05 -1.39 1.91 -0.65 0.98 0.00 0.00 173.24 174.05 2c3m h PRO 372 N -0.15 1.17 -0.40 4.02 0.11 -1.97 -0.80 132.00 133.99 2c3m h PRO 372 Ca -0.40 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2c3m h PRO 372 Cb 1.29 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2c3m h PRO 372 CO 0.49 0.78 0.25 0.00 -0.21 0.00 0.00 178.00 179.31 2c3m h ALA 373 N 1.44 1.69 -0.20 -0.75 0.00 -1.92 0.15 119.26 119.68 2c3m h ALA 373 Ca 0.39 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 55.07 2c3m h ALA 373 Cb 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2c3m h ALA 373 CO -0.13 0.28 -0.65 0.52 0.00 0.00 0.00 179.25 179.28 2c3m h MET 374 N 0.55 0.72 -0.58 0.00 2.86 -1.56 -1.78 114.93 115.14 2c3m h MET 374 Ca 0.15 -0.51 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 2c3m h MET 374 Cb -0.04 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2c3m h MET 374 CO -0.03 1.13 0.17 0.28 1.06 0.00 0.00 176.91 179.53 2c3m h VAL 375 N 0.53 1.24 -0.68 -2.22 2.07 0.00 -1.53 116.25 115.66 2c3m h VAL 375 Ca -0.01 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.71 2c3m h VAL 375 Cb 1.24 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2c3m h VAL 375 CO 0.13 0.31 0.43 0.50 0.02 0.00 0.00 177.57 178.96 2c3m h LYS 376 N 0.81 0.83 -0.76 1.57 1.63 -0.66 -1.15 116.57 118.84 2c3m h LYS 376 Ca 0.18 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2c3m h LYS 376 Cb 0.29 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 2c3m h LYS 376 CO -0.00 0.55 0.46 1.03 -3.45 0.00 0.00 179.45 178.03 2c3m h SER 377 N 0.85 0.90 -0.46 4.20 0.87 -0.82 0.27 113.55 119.36 2c3m h SER 377 Ca 0.27 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.69 2c3m h SER 377 Cb -0.01 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 2c3m h SER 377 CO -0.09 0.69 -0.06 0.58 -0.53 0.00 0.00 176.83 177.41 2c3m h VAL 378 N 1.04 1.27 -0.34 2.23 2.07 -0.44 -1.00 116.25 121.08 2c3m h VAL 378 Ca 0.27 -1.16 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 2c3m h VAL 378 Cb -0.05 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2c3m h VAL 378 CO -0.05 0.40 -0.27 1.88 0.02 0.00 0.00 177.57 179.54 2c3m h TYR 379 N 0.69 0.93 -0.28 1.57 -1.99 -0.56 -2.98 116.97 114.35 2c3m h TYR 379 Ca 0.12 -0.26 -0.03 0.00 2.00 0.00 0.00 58.73 60.56 2c3m h TYR 379 Cb 0.59 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 2c3m h TYR 379 CO 0.04 1.03 0.04 -0.44 -0.00 0.00 0.00 178.16 178.84 2c3m h ASP 380 N 0.56 0.37 -0.40 3.88 3.32 -0.41 -2.09 116.42 121.65 2c3m h ASP 380 Ca 0.06 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2c3m h ASP 380 Cb 0.84 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 2c3m h ASP 380 CO 0.07 0.40 0.13 -1.13 -1.72 0.00 0.00 179.24 177.00 2c3m h ASN 381 N 0.40 0.62 0.84 6.45 -1.24 -1.03 0.08 115.58 121.70 2c3m h ASN 381 Ca 0.09 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 2c3m h ASN 381 Cb 0.20 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 2c3m h ASN 381 CO -0.00 0.60 -0.21 0.24 -1.29 0.00 0.00 177.43 176.78 2c3m h MET 382 N 0.66 0.00 -0.01 6.67 2.86 -1.26 0.22 114.93 124.07 2c3m h MET 382 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2c3m h MET 382 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2c3m h MET 382 CO -0.01 0.21 -0.34 -1.13 1.06 0.00 0.00 176.91 176.70 2c3m n SER 383 N -3.42 1.89 0.00 1.22 3.41 -0.96 -4.80 113.62 110.96 2c3m n SER 383 Ca -0.00 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 2c3m n SER 383 Cb 0.40 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 2c3m n SER 383 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c3m n GLY 384 N 1.24 1.26 0.26 5.00 0.00 -0.02 -4.97 105.19 107.95 2c3m n GLY 384 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 2c3m n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m h ALA 385 N 0.22 1.70 -5.56 4.61 0.00 -1.79 -3.47 119.26 114.97 2c3m h ALA 385 Ca 0.00 -0.11 -0.35 0.00 0.00 0.00 0.00 54.91 54.45 2c3m h ALA 385 Cb 0.00 -0.07 0.15 0.00 0.00 0.00 0.00 17.79 17.87 2c3m h ALA 385 CO 0.00 0.22 -0.69 1.63 0.00 0.00 0.00 179.25 180.41 2c3m n LYS 386 N -4.39 -7.01 -1.92 0.00 5.02 0.75 -4.93 118.16 105.68 2c3m n LYS 386 Ca -0.01 0.80 -0.42 0.00 -2.02 0.00 0.00 58.31 56.67 2c3m n LYS 386 Cb 0.18 -5.73 -0.02 0.00 -0.02 0.00 0.00 35.03 29.43 2c3m n LYS 386 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2c3m s LYS 387 N -5.79 4.21 0.25 1.97 2.20 -1.26 -5.01 119.74 116.31 2c3m s LYS 387 Ca 0.29 2.40 0.07 0.00 -0.36 0.00 0.00 55.97 58.37 2c3m s LYS 387 Cb -0.13 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 2c3m s LYS 387 CO 0.70 -0.53 0.17 1.21 -0.36 0.00 0.00 175.35 176.54 2c3m s ASN 388 N 0.62 5.44 -1.38 1.43 2.47 -1.26 -4.60 114.94 117.65 2c3m s ASN 388 Ca 0.64 -0.28 -0.00 0.00 0.42 0.00 0.00 52.86 53.64 2c3m s ASN 388 Cb -0.44 -1.36 -0.00 0.00 -1.45 0.00 0.00 41.25 38.00 2c3m s ASN 388 CO 0.41 -0.03 0.47 1.41 -3.72 0.00 0.00 177.10 175.64 2c3m n HIS 389 N -1.09 -1.70 -2.87 0.43 8.25 0.00 -4.92 115.22 113.33 2c3m n HIS 389 Ca -0.08 0.76 -0.19 0.00 -0.26 0.00 0.00 57.72 57.96 2c3m n HIS 389 Cb 0.58 -3.86 0.02 0.00 1.12 0.00 0.00 29.99 27.85 2c3m n HIS 389 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2c3m s PHE 390 N -3.91 2.74 0.12 4.41 -0.12 -0.75 -4.92 117.98 115.56 2c3m s PHE 390 Ca 0.00 -0.27 0.09 0.00 -0.05 0.00 0.00 56.93 56.70 2c3m s PHE 390 Cb -0.00 -2.52 -0.04 0.00 -0.63 0.00 0.00 43.02 39.83 2c3m s PHE 390 CO 0.87 -0.64 -0.22 0.95 -0.05 0.00 0.00 175.22 176.14 2c3m s THR 391 N -2.53 1.84 -0.01 -4.49 -4.23 -0.16 -0.35 115.64 105.70 2c3m s THR 391 Ca 0.56 -1.64 -0.00 0.00 -1.18 0.00 0.00 61.69 59.43 2c3m s THR 391 Cb -0.10 -1.68 0.02 0.00 1.34 0.00 0.00 72.50 72.08 2c3m s THR 391 CO 0.35 -0.07 0.02 -0.69 -0.54 0.00 0.00 174.62 173.70 2c3m s VAL 392 N -1.26 -0.04 0.00 2.29 1.01 -0.56 -1.42 120.40 120.42 2c3m s VAL 392 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2c3m s VAL 392 Cb -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 36.38 36.23 2c3m s VAL 392 CO 0.05 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2c3m n GLY 393 N 3.76 1.75 3.34 4.51 0.00 -1.26 -4.43 105.19 112.85 2c3m n GLY 393 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2c3m n GLY 393 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2c3m s ILE 394 N -2.06 0.92 -0.45 -0.61 -4.36 -1.26 -4.96 121.20 108.42 2c3m s ILE 394 Ca 0.00 -2.02 -0.07 0.00 -0.26 0.00 0.00 60.65 58.30 2c3m s ILE 394 Cb 0.00 -2.49 0.12 0.00 1.25 0.00 0.00 42.46 41.33 2c3m s ILE 394 CO 0.00 -0.19 0.30 -0.70 0.24 0.00 0.00 174.94 174.60 2c3m s GLU 395 N -3.92 2.33 -1.02 0.37 2.12 -1.26 -4.70 118.70 112.62 2c3m s GLU 395 Ca 0.32 -1.78 -0.16 0.00 0.36 0.00 0.00 54.97 53.71 2c3m s GLU 395 Cb 0.07 -3.82 0.16 0.00 0.26 0.00 0.00 34.13 30.79 2c3m s GLU 395 CO 0.11 -1.16 1.20 0.34 -0.54 0.00 0.00 175.26 175.21 2c3m s ASP 396 N 2.42 6.82 -0.01 -1.70 3.68 -1.26 -1.68 116.67 124.94 2c3m s ASP 396 Ca 0.06 -2.48 0.11 0.00 2.13 0.00 0.00 52.55 52.37 2c3m s ASP 396 Cb -0.25 -2.38 0.34 0.00 -1.45 0.00 0.00 42.92 39.18 2c3m s ASP 396 CO -0.02 -0.89 1.26 -0.90 0.13 0.00 0.00 175.17 174.76 2c3m n ASP 397 N 5.88 2.12 -0.10 -0.34 5.75 -1.26 -1.75 116.55 126.85 2c3m n ASP 397 Ca 0.27 -2.04 -0.20 0.00 -0.01 0.00 0.00 54.79 52.82 2c3m n ASP 397 Cb 0.46 -0.28 -0.08 0.00 -1.03 0.00 0.00 41.12 40.19 2c3m n ASP 397 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2c3m n VAL 398 N 0.57 1.14 -0.02 2.12 0.31 -1.26 -4.71 118.33 116.48 2c3m n VAL 398 Ca 0.13 -0.34 0.01 0.00 -0.01 0.00 0.00 64.34 64.13 2c3m n VAL 398 Cb 0.35 -1.59 0.02 0.00 -0.91 0.00 0.00 33.84 31.72 2c3m n VAL 398 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2c3m n THR 399 N -3.65 0.90 -3.28 2.52 -2.24 -1.26 -5.02 114.28 102.26 2c3m n THR 399 Ca -0.39 -0.95 -0.22 0.00 -2.27 0.00 0.00 64.05 60.22 2c3m n THR 399 Cb 0.82 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 2c3m n THR 399 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3m n GLY 400 N -0.29 -0.48 0.18 3.38 0.00 -0.72 -4.88 105.19 102.38 2c3m n GLY 400 Ca 0.02 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2c3m n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c3m n THR 401 N -3.85 0.00 -3.04 2.61 -2.24 -1.26 -4.96 114.28 101.54 2c3m n THR 401 Ca -0.02 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 2c3m n THR 401 Cb 0.54 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 69.04 2c3m n THR 401 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2c3m s SER 402 N -2.61 6.65 0.13 3.42 1.04 -1.26 -0.99 113.70 120.08 2c3m s SER 402 Ca 0.22 1.18 -0.12 0.00 0.48 0.00 0.00 55.95 57.71 2c3m s SER 402 Cb 0.19 -2.34 -0.06 0.00 0.10 0.00 0.00 66.02 63.91 2c3m s SER 402 CO 0.55 -0.28 0.49 -0.76 0.98 0.00 0.00 173.24 174.23 2c3m s LEU 403 N -3.34 4.32 0.36 2.42 1.43 -0.51 -4.87 118.68 118.50 2c3m s LEU 403 Ca 0.52 0.94 -0.26 0.00 -1.03 0.00 0.00 54.13 54.30 2c3m s LEU 403 Cb -0.10 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.83 2c3m s LEU 403 CO 0.24 0.11 1.09 -2.16 0.23 0.00 0.00 176.35 175.86 2c3m s PRO 404 N -2.04 4.30 -0.13 1.29 0.04 -1.26 -4.77 135.00 132.42 2c3m s PRO 404 Ca 0.37 1.68 0.01 0.00 0.04 0.00 0.00 61.00 63.11 2c3m s PRO 404 Cb -0.14 -2.79 0.02 0.00 0.04 0.00 0.00 34.50 31.62 2c3m s PRO 404 CO 0.19 -0.06 -0.17 0.08 0.04 0.00 0.00 177.00 177.08 2c3m s VAL 405 N -1.43 1.67 -0.56 -0.36 1.01 -1.26 -4.80 120.40 114.67 2c3m s VAL 405 Ca 0.53 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 2c3m s VAL 405 Cb -0.27 -1.53 0.09 0.00 0.00 0.00 0.00 36.38 34.67 2c3m s VAL 405 CO 0.35 0.48 0.65 -0.62 0.00 0.00 0.00 175.10 175.95 2c3m s ASP 406 N 1.13 6.19 0.00 3.32 3.68 -1.26 -4.92 116.67 124.81 2c3m s ASP 406 Ca -0.02 -1.34 0.04 0.00 2.13 0.00 0.00 52.55 53.36 2c3m s ASP 406 Cb -0.14 -2.28 0.26 0.00 -1.45 0.00 0.00 42.92 39.31 2c3m s ASP 406 CO -0.05 -1.01 0.86 0.59 0.13 0.00 0.00 175.17 175.69 2c3m n ASN 407 N 6.13 0.00 -0.34 -0.34 3.02 -1.26 -2.49 115.26 119.98 2c3m n ASN 407 Ca -0.09 -1.17 0.14 0.00 -0.03 0.00 0.00 54.58 53.42 2c3m n ASN 407 Cb 0.43 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 40.16 2c3m n ASN 407 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c3m n ALA 408 N -0.61 2.70 -1.68 5.41 0.00 -1.26 -4.91 120.51 120.16 2c3m n ALA 408 Ca 0.03 -0.39 -0.44 0.00 0.00 0.00 0.00 53.44 52.64 2c3m n ALA 408 Cb 0.02 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 2c3m n ALA 408 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2c3m n PHE 409 N -0.24 2.33 -1.13 0.00 -0.00 -1.04 -4.93 117.46 112.45 2c3m n PHE 409 Ca 0.18 0.34 -0.34 0.00 -0.00 0.00 0.00 57.45 57.63 2c3m n PHE 409 Cb 0.31 -2.51 0.12 0.00 -0.00 0.00 0.00 39.48 37.39 2c3m n PHE 409 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c3m n ALA 410 N 2.45 -0.44 -2.00 3.13 0.00 -1.26 -4.94 120.51 117.46 2c3m n ALA 410 Ca 0.13 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 2c3m n ALA 410 Cb 0.32 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 2c3m n ALA 410 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2c3m s ASP 411 N -1.97 6.74 -0.02 0.00 -1.08 -1.26 -4.92 116.67 114.16 2c3m s ASP 411 Ca 0.71 2.50 0.12 0.00 -0.52 0.00 0.00 52.55 55.37 2c3m s ASP 411 Cb -0.30 -2.60 0.35 0.00 -1.46 0.00 0.00 42.92 38.91 2c3m s ASP 411 CO 0.53 -0.67 1.29 0.35 0.52 0.00 0.00 175.17 177.19 2c3m n THR 412 N 3.15 1.13 -1.84 1.71 -2.24 -1.26 -5.02 114.28 109.92 2c3m n THR 412 Ca 0.09 -1.08 -0.33 0.00 -2.27 0.00 0.00 64.05 60.46 2c3m n THR 412 Cb 0.41 0.43 0.04 0.00 -2.10 0.00 0.00 70.33 69.10 2c3m n THR 412 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2c3m s THR 413 N -1.18 3.26 0.63 4.28 -4.23 -1.26 -4.78 115.64 112.36 2c3m s THR 413 Ca 0.27 0.61 -0.18 0.00 -1.18 0.00 0.00 61.69 61.21 2c3m s THR 413 Cb 0.15 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 2c3m s THR 413 CO 0.16 -0.34 1.20 -2.65 -0.54 0.00 0.00 174.62 172.45 2c3m n PRO 414 N -2.25 1.08 -1.77 3.99 -0.02 -1.26 -4.90 135.00 129.87 2c3m n PRO 414 Ca 0.10 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 2c3m n PRO 414 Cb 0.52 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 2c3m n PRO 414 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2c3m n LYS 415 N -1.57 2.72 -0.11 -0.52 4.81 -1.26 -2.20 118.16 120.03 2c3m n LYS 415 Ca 0.15 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.55 2c3m n LYS 415 Cb 0.48 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.81 2c3m n LYS 415 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2c3m n GLY 416 N 1.03 0.67 3.71 3.14 0.00 -1.26 -4.76 105.19 107.72 2c3m n GLY 416 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2c3m n GLY 416 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c3m s THR 417 N -2.35 4.50 -0.18 2.61 2.01 -0.93 -4.47 115.64 116.83 2c3m s THR 417 Ca 0.00 1.81 -0.07 0.00 0.31 0.00 0.00 61.69 63.74 2c3m s THR 417 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2c3m s THR 417 CO 0.00 0.15 0.04 -0.63 -0.69 0.00 0.00 174.62 173.49 2c3m s ILE 418 N 0.96 4.58 -0.10 1.82 1.01 0.91 -4.96 121.20 125.43 2c3m s ILE 418 Ca 0.54 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.12 2c3m s ILE 418 Cb -0.25 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 2c3m s ILE 418 CO 0.29 0.47 -0.20 -1.10 0.00 0.00 0.00 174.94 174.39 2c3m s GLN 419 N 0.35 3.01 0.07 2.79 -0.21 -1.26 -1.39 119.66 123.03 2c3m s GLN 419 Ca 0.01 -0.82 0.06 0.00 0.02 0.00 0.00 55.36 54.64 2c3m s GLN 419 Cb -0.13 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 2c3m s GLN 419 CO 0.01 0.26 -0.17 0.00 -2.12 0.00 0.00 175.29 173.26 2c3m s GLN 421 N -1.52 1.16 -0.08 0.00 -0.21 0.14 -1.04 119.66 118.12 2c3m s GLN 421 Ca 0.03 -0.36 0.02 0.00 0.02 0.00 0.00 55.36 55.07 2c3m s GLN 421 Cb -0.09 -1.06 0.01 0.00 1.00 0.00 0.00 33.01 32.88 2c3m s GLN 421 CO 0.02 0.12 -0.12 -0.06 -2.12 0.00 0.00 175.29 173.14 2c3m s PHE 422 N 0.23 1.55 -0.34 0.91 0.40 -0.23 -0.70 117.98 119.80 2c3m s PHE 422 Ca -0.04 -0.62 -0.10 0.00 -0.60 0.00 0.00 56.93 55.56 2c3m s PHE 422 Cb -0.10 -1.15 0.01 0.00 0.51 0.00 0.00 43.02 42.30 2c3m s PHE 422 CO 0.01 -0.34 0.17 -1.58 0.70 0.00 0.00 175.22 174.18 2c3m s TRP 423 N 0.84 3.21 0.43 0.36 0.52 0.18 -0.05 118.94 124.44 2c3m s TRP 423 Ca -0.11 -0.85 0.05 0.00 0.02 0.00 0.00 56.10 55.21 2c3m s TRP 423 Cb -0.15 -2.39 -0.06 0.00 -1.15 0.00 0.00 33.47 29.72 2c3m s TRP 423 CO 0.02 -0.58 0.01 0.20 0.02 0.00 0.00 176.95 176.62 2c3m s GLY 424 N 1.56 2.62 -0.09 0.98 0.00 0.61 -0.62 107.32 112.38 2c3m s GLY 424 Ca 0.03 -1.78 -0.01 0.00 0.00 0.00 0.00 44.72 42.96 2c3m s GLY 424 CO 0.06 -2.11 -0.06 -2.27 0.00 0.00 0.00 173.10 168.72 2c3m s LEU 425 N -3.74 3.19 0.24 0.66 2.96 -1.26 -1.37 118.68 119.35 2c3m s LEU 425 Ca 0.27 -0.05 -0.30 0.00 -0.22 0.00 0.00 54.13 53.83 2c3m s LEU 425 Cb 0.08 -1.72 -0.15 0.00 0.50 0.00 0.00 46.19 44.90 2c3m s LEU 425 CO 0.14 0.31 1.07 0.61 -1.32 0.00 0.00 176.35 177.15 2c3m n GLY 426 N 2.61 -0.15 2.35 7.98 0.00 0.16 -1.26 105.19 116.87 2c3m n GLY 426 Ca -0.18 0.42 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 2c3m n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m n ALA 427 N 0.81 -0.03 1.11 4.61 0.00 -1.26 -4.72 120.51 121.03 2c3m n ALA 427 Ca 0.12 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.72 2c3m n ALA 427 Cb 0.29 -0.71 0.28 0.00 0.00 0.00 0.00 19.45 19.31 2c3m n ALA 427 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2c3m n ASP 428 N -0.13 2.42 -0.06 0.00 5.68 -0.39 -4.96 116.55 119.12 2c3m n ASP 428 Ca -0.02 -1.80 -0.01 0.00 -0.50 0.00 0.00 54.79 52.46 2c3m n ASP 428 Cb 0.21 -0.04 -0.00 0.00 -1.14 0.00 0.00 41.12 40.15 2c3m n ASP 428 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c3m n GLY 429 N 1.29 0.48 0.18 6.12 0.00 -1.26 -4.08 105.19 107.92 2c3m n GLY 429 Ca 0.17 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2c3m n GLY 429 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2c3m h THR 430 N 0.00 1.22 -0.56 2.61 2.02 -1.93 -1.51 112.91 114.77 2c3m h THR 430 Ca -0.02 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 2c3m h THR 430 Cb 0.13 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2c3m h THR 430 CO 0.02 0.25 0.14 0.58 0.37 0.00 0.00 175.52 176.88 2c3m h VAL 431 N 0.38 1.25 -0.58 3.16 2.07 -1.95 -0.51 116.25 120.07 2c3m h VAL 431 Ca 0.10 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.76 2c3m h VAL 431 Cb 0.30 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2c3m h VAL 431 CO 0.00 0.33 0.37 1.23 0.02 0.00 0.00 177.57 179.51 2c3m h GLY 432 N 0.80 0.83 1.05 2.17 0.00 -1.95 -0.73 103.07 105.24 2c3m h GLY 432 Ca 0.18 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 2c3m h GLY 432 CO 0.00 0.25 0.23 0.00 0.00 0.00 0.00 176.54 177.02 2c3m h ALA 433 N 1.24 0.94 -0.63 3.60 0.00 -0.98 -1.85 119.26 121.59 2c3m h ALA 433 Ca 0.23 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2c3m h ALA 433 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2c3m h ALA 433 CO -0.08 0.62 0.07 -0.91 0.00 0.00 0.00 179.25 178.95 2c3m h ASN 434 N 1.06 1.00 -0.65 0.00 2.35 -0.59 -0.80 115.58 117.95 2c3m h ASN 434 Ca 0.23 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 2c3m h ASN 434 Cb 0.30 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 2c3m h ASN 434 CO -0.01 1.02 0.15 0.11 -1.65 0.00 0.00 177.43 177.05 2c3m h LYS 435 N 0.97 1.05 -0.65 0.81 1.57 -0.90 -1.54 116.57 117.89 2c3m h LYS 435 Ca 0.19 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2c3m h LYS 435 Cb 0.46 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 2c3m h LYS 435 CO 0.02 0.95 0.11 1.96 -0.57 0.00 0.00 179.45 181.91 2c3m h GLN 436 N 0.97 1.06 -0.91 3.15 1.08 -1.05 -1.97 115.11 117.45 2c3m h GLN 436 Ca 0.20 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2c3m h GLN 436 Cb 0.37 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 2c3m h GLN 436 CO 0.00 0.97 0.53 0.00 -0.95 0.00 0.00 178.83 179.38 2c3m h ALA 437 N 1.11 1.22 -0.54 3.87 0.00 -0.75 0.19 119.26 124.37 2c3m h ALA 437 Ca 0.20 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2c3m h ALA 437 Cb 0.42 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2c3m h ALA 437 CO 0.01 0.65 0.16 0.82 0.00 0.00 0.00 179.25 180.89 2c3m h ILE 438 N 1.26 1.24 -0.15 0.00 2.04 -0.93 -0.81 117.51 120.16 2c3m h ILE 438 Ca 0.32 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 2c3m h ILE 438 Cb -0.02 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2c3m h ILE 438 CO -0.06 0.30 -0.02 0.50 0.00 0.00 0.00 178.15 178.87 2c3m h LYS 439 N 0.74 0.27 0.16 2.37 3.64 -0.80 -0.68 116.57 122.26 2c3m h LYS 439 Ca 0.17 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2c3m h LYS 439 Cb 0.29 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2c3m h LYS 439 CO -0.00 0.54 -0.10 0.82 -2.27 0.00 0.00 179.45 178.43 2c3m h ILE 440 N -0.02 0.79 -0.39 2.00 2.04 -0.55 0.71 117.51 122.08 2c3m h ILE 440 Ca 0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 2c3m h ILE 440 Cb 0.43 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2c3m h ILE 440 CO 0.01 0.00 0.03 0.40 0.00 0.00 0.00 178.15 178.59 2c3m h ILE 441 N -0.25 1.25 -0.46 -0.67 2.04 -1.20 -2.34 117.51 115.89 2c3m h ILE 441 Ca -0.01 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 2c3m h ILE 441 Cb 0.21 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2c3m h ILE 441 CO 0.01 0.32 0.03 1.23 0.00 0.00 0.00 178.15 179.74 2c3m h GLY 442 N 0.51 0.79 2.00 5.37 0.00 -1.03 -2.18 103.07 108.54 2c3m h GLY 442 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2c3m h GLY 442 CO 0.02 0.47 0.00 -0.55 0.00 0.00 0.00 176.54 176.47 2c3m h ASP 443 N 0.70 0.00 -0.02 0.19 3.45 -0.74 -3.34 116.42 116.66 2c3m h ASP 443 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 2c3m h ASP 443 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 2c3m h ASP 443 CO 0.01 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.27 2c3m n ASN 444 N -2.60 1.77 -3.67 6.45 3.02 -0.89 -5.05 115.26 114.28 2c3m n ASN 444 Ca 0.04 -1.72 -0.16 0.00 -0.03 0.00 0.00 54.58 52.72 2c3m n ASN 444 Cb 0.43 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.51 2c3m n ASN 444 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2c3m s THR 445 N -0.73 0.00 -1.75 3.41 -4.23 -0.84 -5.03 115.64 106.47 2c3m s THR 445 Ca 0.01 -1.93 0.20 0.00 -1.18 0.00 0.00 61.69 58.80 2c3m s THR 445 Cb 0.01 -2.50 0.64 0.00 1.34 0.00 0.00 72.50 71.99 2c3m s THR 445 CO 0.01 0.00 1.54 0.47 -0.54 0.00 0.00 174.62 176.10 2c3m n ASP 446 N -1.03 4.01 -4.80 3.99 10.43 -1.26 -4.82 116.55 123.08 2c3m n ASP 446 Ca 0.04 -2.13 -0.34 0.00 2.57 0.00 0.00 54.79 54.94 2c3m n ASP 446 Cb 0.64 -0.50 -0.04 0.00 1.84 0.00 0.00 41.12 43.05 2c3m n ASP 446 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2c3m s LEU 447 N -1.23 3.86 0.27 0.64 1.43 -1.26 -4.92 118.68 117.46 2c3m s LEU 447 Ca 0.48 1.86 -0.11 0.00 -1.03 0.00 0.00 54.13 55.32 2c3m s LEU 447 Cb 0.27 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.86 2c3m s LEU 447 CO 0.30 -0.67 0.61 -0.36 0.23 0.00 0.00 176.35 176.45 2c3m s PHE 448 N -2.06 3.41 0.01 0.29 0.40 0.91 -4.76 117.98 116.18 2c3m s PHE 448 Ca 0.66 0.97 0.01 0.00 -0.60 0.00 0.00 56.93 57.96 2c3m s PHE 448 Cb -0.14 -2.34 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 2c3m s PHE 448 CO 0.19 0.20 -0.03 0.00 0.70 0.00 0.00 175.22 176.28 2c3m s ALA 449 N -1.90 0.19 -0.00 5.36 0.00 -1.26 -1.74 121.76 122.40 2c3m s ALA 449 Ca 0.49 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.26 2c3m s ALA 449 Cb -0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 2c3m s ALA 449 CO 0.21 0.01 -0.04 -1.14 0.00 0.00 0.00 175.76 174.79 2c3m s GLN 450 N -0.37 0.33 -0.01 0.00 0.74 0.26 -2.74 119.66 117.88 2c3m s GLN 450 Ca -0.02 -0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.22 2c3m s GLN 450 Cb -0.03 -0.31 0.01 0.00 1.10 0.00 0.00 33.01 33.78 2c3m s GLN 450 CO -0.00 0.08 -0.00 0.20 -0.55 0.00 0.00 175.29 175.02 2c3m s GLY 451 N -0.16 0.11 -0.04 2.59 0.00 -0.08 -0.98 107.32 108.77 2c3m s GLY 451 Ca 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.77 2c3m s GLY 451 CO -0.00 0.25 0.09 -0.47 0.00 0.00 0.00 173.10 172.97 2c3m s TYR 452 N 0.42 -0.09 -0.03 1.90 5.04 -0.44 -0.07 117.35 124.09 2c3m s TYR 452 Ca -0.04 0.29 0.06 0.00 -2.44 0.00 0.00 57.07 54.94 2c3m s TYR 452 Cb -0.06 -0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.18 2c3m s TYR 452 CO -0.01 -0.09 -0.21 -0.06 -1.34 0.00 0.00 175.55 173.83 2c3m s PHE 453 N 0.59 1.98 -0.10 4.97 0.40 -1.26 -0.66 117.98 123.90 2c3m s PHE 453 Ca -0.05 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 2c3m s PHE 453 Cb -0.06 -1.29 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 2c3m s PHE 453 CO -0.02 -0.09 -0.06 -1.12 0.70 0.00 0.00 175.22 174.62 2c3m s SER 454 N -0.34 4.65 0.00 1.36 0.01 -0.43 -4.99 113.70 113.97 2c3m s SER 454 Ca 0.04 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2c3m s SER 454 Cb -0.10 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.70 2c3m s SER 454 CO 0.01 0.28 0.00 -1.22 0.41 0.00 0.00 173.24 172.71 2c3m n TYR 455 N 2.79 -0.80 -4.35 2.43 4.02 -1.26 -1.33 117.16 118.66 2c3m n TYR 455 Ca -0.18 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.44 2c3m n TYR 455 Cb 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.74 2c3m n TYR 455 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2c3m s ASP 456 N -0.76 3.86 0.45 7.72 3.68 -1.13 -4.88 116.67 125.61 2c3m s ASP 456 Ca 0.00 -0.70 0.25 0.00 2.13 0.00 0.00 52.55 54.23 2c3m s ASP 456 Cb 0.00 -0.50 0.50 0.00 -1.45 0.00 0.00 42.92 41.47 2c3m s ASP 456 CO 0.00 0.12 1.67 0.28 0.13 0.00 0.00 175.17 177.37 2c3m h SER 457 N 3.15 0.00 -3.32 -0.34 0.02 -1.95 -3.44 113.55 107.66 2c3m h SER 457 Ca -0.47 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.95 2c3m h SER 457 Cb 1.20 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.77 2c3m h SER 457 CO 0.50 0.01 0.63 -0.54 -1.14 0.00 0.00 176.83 176.30 2c3m s LYS 458 N -3.28 4.40 0.16 3.45 -0.14 -1.26 -4.94 119.74 118.13 2c3m s LYS 458 Ca 0.06 1.99 0.11 0.00 -1.36 0.00 0.00 55.97 56.77 2c3m s LYS 458 Cb 0.06 -3.23 -0.11 0.00 -1.68 0.00 0.00 37.83 32.87 2c3m s LYS 458 CO 0.65 -0.25 1.26 0.87 -0.76 0.00 0.00 175.35 177.13 2c3m h LYS 459 N 5.72 0.00 -5.16 1.68 1.57 -1.69 -3.40 116.57 115.28 2c3m h LYS 459 Ca -0.44 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.82 2c3m h LYS 459 Cb 1.21 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.22 2c3m h LYS 459 CO 0.78 0.75 -0.82 0.45 -0.57 0.00 0.00 179.45 180.04 2c3m s SER 460 N -6.52 1.85 -1.22 0.86 0.15 -1.26 -4.72 113.70 102.84 2c3m s SER 460 Ca 0.01 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2c3m s SER 460 Cb 0.09 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2c3m s SER 460 CO 0.79 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.98 2c3m n GLY 461 N 3.08 -0.07 3.88 9.45 0.00 -1.26 -4.99 105.19 115.28 2c3m n GLY 461 Ca -0.17 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 2c3m n GLY 461 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c3m s GLY 462 N -2.41 1.64 -0.05 -0.02 0.00 -1.26 -4.72 107.32 100.50 2c3m s GLY 462 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 44.72 44.36 2c3m s GLY 462 CO 0.00 0.07 0.30 -1.50 0.00 0.00 0.00 173.10 171.98 2c3m s ILE 463 N -3.25 5.22 0.00 0.90 1.10 -1.26 0.39 121.20 124.31 2c3m s ILE 463 Ca 0.56 0.59 0.06 0.00 -0.51 0.00 0.00 60.65 61.36 2c3m s ILE 463 Cb -0.11 -3.59 -0.02 0.00 0.15 0.00 0.00 42.46 38.89 2c3m s ILE 463 CO 0.52 0.60 -0.19 0.42 -2.11 0.00 0.00 174.94 174.18 2c3m s THR 464 N -1.06 1.53 -0.16 4.00 -4.23 -0.47 -2.83 115.64 112.43 2c3m s THR 464 Ca 0.20 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2c3m s THR 464 Cb -0.15 -1.29 0.03 0.00 1.34 0.00 0.00 72.50 72.43 2c3m s THR 464 CO 0.10 0.34 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.78 2c3m s ILE 465 N -0.56 1.41 -0.14 2.99 1.01 -0.44 -0.28 121.20 125.19 2c3m s ILE 465 Ca 0.07 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 2c3m s ILE 465 Cb -0.08 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2c3m s ILE 465 CO 0.00 0.32 0.14 -0.44 0.00 0.00 0.00 174.94 174.96 2c3m s SER 466 N 1.53 6.35 -0.26 3.58 0.01 0.93 -1.32 113.70 124.52 2c3m s SER 466 Ca 0.03 0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.74 2c3m s SER 466 Cb -0.14 -2.07 0.06 0.00 0.21 0.00 0.00 66.02 64.08 2c3m s SER 466 CO -0.09 0.36 -0.10 -1.00 0.41 0.00 0.00 173.24 172.83 2c3m s HIS 467 N -0.75 3.26 0.03 2.43 3.76 0.16 -1.07 115.29 123.12 2c3m s HIS 467 Ca 0.14 -2.35 0.07 0.00 -0.15 0.00 0.00 55.06 52.77 2c3m s HIS 467 Cb -0.12 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 2c3m s HIS 467 CO 0.03 -0.88 -0.21 -0.51 -0.85 0.00 0.00 174.74 172.32 2c3m s LEU 468 N 1.10 2.43 0.01 0.89 1.43 -0.21 -1.32 118.68 123.01 2c3m s LEU 468 Ca -0.07 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2c3m s LEU 468 Cb -0.20 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 2c3m s LEU 468 CO -0.05 0.27 -0.08 -0.13 0.23 0.00 0.00 176.35 176.59 2c3m s ARG 469 N -1.22 0.62 -0.01 1.70 0.52 -0.16 -0.20 118.95 120.20 2c3m s ARG 469 Ca 0.13 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 2c3m s ARG 469 Cb -0.10 -0.56 0.01 0.00 0.52 0.00 0.00 34.95 34.82 2c3m s ARG 469 CO 0.03 0.14 0.03 -0.06 0.02 0.00 0.00 175.30 175.46 2c3m s PHE 470 N -0.57 -0.02 0.24 -0.53 0.40 -0.48 -0.57 117.98 116.45 2c3m s PHE 470 Ca -0.00 0.10 -0.22 0.00 -0.60 0.00 0.00 56.93 56.20 2c3m s PHE 470 Cb -0.05 -0.06 0.03 0.00 0.51 0.00 0.00 43.02 43.45 2c3m s PHE 470 CO 0.00 -0.04 0.80 0.20 0.70 0.00 0.00 175.22 176.88 2c3m s GLY 471 N 0.35 -0.13 0.28 4.36 0.00 -0.71 -0.06 107.32 111.41 2c3m s GLY 471 Ca -0.03 -0.18 0.19 0.00 0.00 0.00 0.00 44.72 44.70 2c3m s GLY 471 CO -0.01 -0.05 1.33 0.83 0.00 0.00 0.00 173.10 175.20 2c3m h GLU 472 N 2.00 0.00 -6.21 2.90 5.08 -1.86 0.26 114.58 116.75 2c3m h GLU 472 Ca -0.21 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.59 2c3m h GLU 472 Cb 1.24 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 2c3m h GLU 472 CO 0.24 0.24 -0.57 0.15 -1.00 0.00 0.00 179.01 178.08 2c3m s LYS 473 N -3.09 2.84 0.29 2.33 1.02 -1.26 -4.73 119.74 117.14 2c3m s LYS 473 Ca 0.03 -0.94 -0.29 0.00 0.02 0.00 0.00 55.97 54.79 2c3m s LYS 473 Cb 0.07 -2.59 -0.13 0.00 -0.52 0.00 0.00 37.83 34.66 2c3m s LYS 473 CO 0.74 0.46 1.21 -2.30 -0.92 0.00 0.00 175.35 174.54 2c3m n PRO 474 N -0.49 1.77 -3.35 -1.68 -0.02 -1.26 -4.68 135.00 125.28 2c3m n PRO 474 Ca -0.08 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 2c3m n PRO 474 Cb 0.55 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.81 2c3m n PRO 474 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2c3m s ILE 475 N -0.80 5.13 -0.76 4.25 1.01 -1.26 -4.90 121.20 123.88 2c3m s ILE 475 Ca 0.61 -0.49 0.15 0.00 0.00 0.00 0.00 60.65 60.92 2c3m s ILE 475 Cb -0.65 -4.03 0.50 0.00 0.01 0.00 0.00 42.46 38.29 2c3m s ILE 475 CO 0.58 -0.43 1.42 0.00 0.00 0.00 0.00 174.94 176.51 2c3m n GLN 476 N 5.49 3.15 -2.51 2.79 6.02 -1.26 -4.89 117.38 126.16 2c3m n GLN 476 Ca -0.09 -2.55 -0.42 0.00 -0.01 0.00 0.00 57.00 53.93 2c3m n GLN 476 Cb 0.47 -1.64 -0.00 0.00 1.02 0.00 0.00 30.24 30.09 2c3m n GLN 476 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2c3m n SER 477 N 0.38 4.80 -3.40 1.08 7.64 -1.26 -2.78 113.62 120.07 2c3m n SER 477 Ca 0.19 -2.91 -0.40 0.00 1.01 0.00 0.00 58.87 56.77 2c3m n SER 477 Cb 0.71 -1.74 -0.02 0.00 -1.01 0.00 0.00 64.21 62.15 2c3m n SER 477 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2c3m n THR 478 N 6.40 4.81 -3.57 0.44 -2.24 -1.26 -4.79 114.28 114.08 2c3m n THR 478 Ca 0.49 -3.50 -0.10 0.00 -2.27 0.00 0.00 64.05 58.66 2c3m n THR 478 Cb 0.46 -2.33 -0.02 0.00 -2.10 0.00 0.00 70.33 66.33 2c3m n THR 478 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2c3m s TYR 479 N 0.42 -0.41 0.54 4.78 -0.85 -1.26 -4.77 117.35 115.79 2c3m s TYR 479 Ca 0.62 0.12 -0.20 0.00 -0.52 0.00 0.00 57.07 57.08 2c3m s TYR 479 Cb 0.18 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 43.06 2c3m s TYR 479 CO -0.08 -0.96 1.18 -0.51 -1.52 0.00 0.00 175.55 173.66 2c3m s LEU 480 N -2.81 3.79 0.20 -3.49 1.43 -1.26 -4.96 118.68 111.58 2c3m s LEU 480 Ca 0.04 2.32 -0.31 0.00 -1.03 0.00 0.00 54.13 55.15 2c3m s LEU 480 Cb -0.02 -4.49 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 2c3m s LEU 480 CO -0.07 -1.30 1.52 -0.69 0.23 0.00 0.00 176.35 176.04 2c3m s VAL 481 N -1.63 2.64 0.00 -1.59 1.01 -1.26 -4.87 120.40 114.70 2c3m s VAL 481 Ca 0.72 0.49 0.00 0.00 0.00 0.00 0.00 61.98 63.19 2c3m s VAL 481 Cb -0.28 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2c3m s VAL 481 CO 0.32 0.05 0.00 -0.46 0.00 0.00 0.00 175.10 175.01 2c3m n ASN 482 N 3.33 0.17 -3.41 3.32 0.23 -1.26 -4.88 115.26 112.75 2c3m n ASN 482 Ca 0.11 -0.40 -0.27 0.00 -0.53 0.00 0.00 54.58 53.49 2c3m n ASN 482 Cb 0.39 0.83 -0.11 0.00 -2.08 0.00 0.00 39.78 38.82 2c3m n ASN 482 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2c3m s ARG 483 N -0.87 0.71 0.37 -3.83 0.52 -1.26 -4.26 118.95 110.33 2c3m s ARG 483 Ca 0.00 -1.64 -0.10 0.00 -0.52 0.00 0.00 55.73 53.47 2c3m s ARG 483 Cb 0.00 -1.29 -0.06 0.00 0.52 0.00 0.00 34.95 34.11 2c3m s ARG 483 CO 0.00 -1.29 0.71 0.00 0.02 0.00 0.00 175.30 174.74 2c3m s ALA 484 N 0.65 3.41 -0.10 2.13 0.00 -1.25 -4.75 121.76 121.85 2c3m s ALA 484 Ca 0.25 -0.26 0.15 0.00 0.00 0.00 0.00 51.96 52.10 2c3m s ALA 484 Cb -0.10 -2.61 -0.21 0.00 0.00 0.00 0.00 23.12 20.19 2c3m s ALA 484 CO -0.08 0.09 0.56 -0.25 0.00 0.00 0.00 175.76 176.07 2c3m n ASP 485 N -1.12 0.62 -3.83 0.00 9.92 0.65 -1.19 116.55 121.60 2c3m n ASP 485 Ca 0.02 0.29 -0.21 0.00 -0.53 0.00 0.00 54.79 54.35 2c3m n ASP 485 Cb 0.54 0.34 -0.17 0.00 -0.64 0.00 0.00 41.12 41.19 2c3m n ASP 485 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2c3m s TYR 486 N -2.70 0.71 -0.08 1.24 5.04 -0.97 -1.10 117.35 119.48 2c3m s TYR 486 Ca -0.06 -0.20 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 2c3m s TYR 486 Cb 0.08 -0.74 0.02 0.00 0.35 0.00 0.00 41.96 41.67 2c3m s TYR 486 CO 0.83 -0.27 -0.11 0.08 -1.34 0.00 0.00 175.55 174.74 2c3m s VAL 487 N 1.46 1.13 -0.04 3.14 1.01 -0.36 -0.68 120.40 126.05 2c3m s VAL 487 Ca -0.03 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2c3m s VAL 487 Cb -0.13 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2c3m s VAL 487 CO -0.03 0.36 -0.23 0.00 0.00 0.00 0.00 175.10 175.20 2c3m s ALA 488 N 0.97 1.98 -0.31 5.51 0.00 0.12 -0.74 121.76 129.29 2c3m s ALA 488 Ca -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2c3m s ALA 488 Cb -0.15 -0.59 0.07 0.00 0.00 0.00 0.00 23.12 22.45 2c3m s ALA 488 CO -0.00 0.40 -0.00 0.00 0.00 0.00 0.00 175.76 176.16 2c3m n HIS 490 N 4.51 0.00 -3.86 0.00 8.25 0.21 -1.75 115.22 122.57 2c3m n HIS 490 Ca -0.10 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.08 2c3m n HIS 490 Cb 0.42 -0.13 -0.16 0.00 1.12 0.00 0.00 29.99 31.24 2c3m n HIS 490 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2c3m s ASN 491 N -2.37 3.07 0.60 0.41 3.84 -1.26 -4.78 114.94 114.45 2c3m s ASN 491 Ca 0.31 -0.82 0.30 0.00 0.21 0.00 0.00 52.86 52.87 2c3m s ASN 491 Cb 0.20 -0.88 1.76 0.00 -0.55 0.00 0.00 41.25 41.79 2c3m s ASN 491 CO 0.45 -0.23 2.17 1.55 -2.79 0.00 0.00 177.10 178.25 2c3m h PRO 492 N 8.12 0.00 0.00 0.43 0.13 -1.83 -1.92 132.00 136.93 2c3m h PRO 492 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2c3m h PRO 492 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2c3m h PRO 492 CO 0.38 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.15 2c3m h ALA 493 N 1.85 1.00 -0.00 -0.56 0.00 -1.95 -2.94 119.26 116.65 2c3m h ALA 493 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2c3m h ALA 493 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2c3m h ALA 493 CO -0.00 0.00 -0.67 1.88 0.00 0.00 0.00 179.25 180.46 2c3m h TYR 494 N 0.00 0.02 -0.69 0.00 0.99 -1.77 -3.30 116.97 112.21 2c3m h TYR 494 Ca 0.00 -0.01 0.15 0.00 2.00 0.00 0.00 58.73 60.88 2c3m h TYR 494 Cb 0.17 -0.00 -0.04 0.00 1.00 0.00 0.00 36.73 37.86 2c3m h TYR 494 CO 0.00 0.68 0.47 -0.39 -0.00 0.00 0.00 178.16 178.92 2c3m h VAL 495 N 0.01 0.77 -0.06 -2.88 -1.51 -1.71 -0.82 116.25 110.05 2c3m h VAL 495 Ca -0.01 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2c3m h VAL 495 Cb 1.19 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 2c3m h VAL 495 CO 0.09 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 177.09 2c3m n GLY 496 N -1.56 0.24 0.00 5.19 0.00 -1.24 -4.53 105.19 103.28 2c3m n GLY 496 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2c3m n GLY 496 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2c3m n ILE 497 N 0.39 0.00 -4.26 -0.61 -5.35 -0.41 -5.10 119.36 104.02 2c3m n ILE 497 Ca 0.18 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.40 2c3m n ILE 497 Cb 0.39 -0.54 -0.08 0.00 -1.74 0.00 0.00 39.64 37.67 2c3m n ILE 497 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2c3m s TYR 498 N -1.72 2.73 -1.47 4.28 1.51 -0.61 -4.93 117.35 117.13 2c3m s TYR 498 Ca 0.00 -0.19 -0.13 0.00 -1.01 0.00 0.00 57.07 55.74 2c3m s TYR 498 Cb 0.00 -1.30 0.03 0.00 -0.11 0.00 0.00 41.96 40.58 2c3m s TYR 498 CO 0.00 0.54 2.30 -3.47 -1.11 0.00 0.00 175.55 173.81 2c3m n ASP 499 N -0.27 4.43 0.09 2.29 -0.08 -1.26 -4.76 116.55 116.99 2c3m n ASP 499 Ca -0.09 -2.82 0.17 0.00 -1.51 0.00 0.00 54.79 50.53 2c3m n ASP 499 Cb 0.56 -1.64 0.69 0.00 2.34 0.00 0.00 41.12 43.07 2c3m n ASP 499 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2c3m h ILE 500 N 3.88 0.78 -0.60 5.18 2.04 -1.92 -2.87 117.51 124.01 2c3m h ILE 500 Ca 0.60 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.46 2c3m h ILE 500 Cb 0.60 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2c3m h ILE 500 CO 1.87 0.00 0.00 0.18 0.00 0.00 0.00 178.15 180.20 2c3m n LEU 501 N -4.36 3.63 -4.69 1.44 4.77 -1.26 -4.98 117.00 111.55 2c3m n LEU 501 Ca 0.05 -1.94 -0.56 0.00 -0.03 0.00 0.00 56.01 53.53 2c3m n LEU 501 Cb 0.44 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 2c3m n LEU 501 CO 0.35 0.90 1.27 1.21 -1.33 0.00 0.00 177.39 179.79 2c3m n GLU 502 N 1.33 1.21 -0.77 3.23 2.13 -1.09 -1.53 120.64 125.17 2c3m n GLU 502 Ca 0.21 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.47 2c3m n GLU 502 Cb 0.57 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.15 2c3m n GLU 502 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c3m n GLY 503 N 3.94 0.88 3.63 8.31 0.00 -1.26 -4.77 105.19 115.93 2c3m n GLY 503 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2c3m n GLY 503 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2c3m n ILE 504 N -2.00 2.22 -2.12 -0.61 3.06 -0.58 -3.88 119.36 115.45 2c3m n ILE 504 Ca 0.00 -0.50 -0.34 0.00 -2.50 0.00 0.00 62.75 59.41 2c3m n ILE 504 Cb 0.00 -1.24 0.01 0.00 0.54 0.00 0.00 39.64 38.95 2c3m n ILE 504 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2c3m s LYS 505 N -1.87 3.23 0.32 9.51 1.02 -0.33 -4.87 119.74 126.75 2c3m s LYS 505 Ca 0.60 1.50 -0.29 0.00 0.02 0.00 0.00 55.97 57.79 2c3m s LYS 505 Cb -0.59 -2.00 -0.11 0.00 -0.52 0.00 0.00 37.83 34.60 2c3m s LYS 505 CO 0.59 -0.92 1.57 -0.51 -0.92 0.00 0.00 175.35 175.16 2c3m s ASP 506 N -2.10 6.34 0.00 2.83 -0.00 -1.26 -0.72 116.67 121.76 2c3m s ASP 506 Ca 0.70 3.01 0.00 0.00 -0.00 0.00 0.00 52.55 56.26 2c3m s ASP 506 Cb -0.22 -2.65 0.00 0.00 -0.00 0.00 0.00 42.92 40.06 2c3m s ASP 506 CO 0.31 -0.92 0.00 0.61 -0.00 0.00 0.00 175.17 175.17 2c3m n GLY 507 N 1.60 0.31 3.61 0.21 0.00 0.17 -5.00 105.19 106.10 2c3m n GLY 507 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2c3m n GLY 507 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c3m s GLY 508 N -2.00 1.57 -0.13 -0.02 0.00 0.10 -4.45 107.32 102.39 2c3m s GLY 508 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 2c3m s GLY 508 CO 0.00 0.05 -0.10 -1.08 0.00 0.00 0.00 173.10 171.97 2c3m s THR 509 N -2.97 3.33 -0.18 0.90 -1.32 -0.26 -0.68 115.64 114.46 2c3m s THR 509 Ca 0.69 -0.57 0.01 0.00 -1.21 0.00 0.00 61.69 60.61 2c3m s THR 509 Cb -0.13 -2.41 0.02 0.00 -1.51 0.00 0.00 72.50 68.47 2c3m s THR 509 CO 0.57 0.52 -0.19 0.12 -2.21 0.00 0.00 174.62 173.43 2c3m s PHE 510 N 0.22 2.68 -0.15 9.09 5.36 -0.52 -1.23 117.98 133.43 2c3m s PHE 510 Ca -0.06 -1.58 -0.03 0.00 -0.96 0.00 0.00 56.93 54.29 2c3m s PHE 510 Cb -0.15 -1.86 -0.03 0.00 -0.34 0.00 0.00 43.02 40.65 2c3m s PHE 510 CO 0.04 -0.79 -0.05 0.08 -1.46 0.00 0.00 175.22 173.05 2c3m s VAL 511 N 1.32 3.77 -0.05 3.12 1.01 0.08 -0.84 120.40 128.81 2c3m s VAL 511 Ca 0.05 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.66 2c3m s VAL 511 Cb -0.13 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2c3m s VAL 511 CO -0.12 0.50 -0.16 -0.22 0.00 0.00 0.00 175.10 175.09 2c3m s LEU 512 N 0.36 1.87 -0.32 3.92 2.96 0.21 -0.51 118.68 127.16 2c3m s LEU 512 Ca -0.05 -0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 53.36 2c3m s LEU 512 Cb -0.14 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 2c3m s LEU 512 CO 0.03 0.13 0.33 0.21 -1.32 0.00 0.00 176.35 175.73 2c3m s ASN 513 N 0.19 6.16 0.02 3.68 2.47 -0.72 -0.76 114.94 125.98 2c3m s ASN 513 Ca -0.07 -0.15 -0.28 0.00 0.42 0.00 0.00 52.86 52.78 2c3m s ASN 513 Cb -0.13 -2.18 0.10 0.00 -1.45 0.00 0.00 41.25 37.59 2c3m s ASN 513 CO 0.03 -0.27 0.89 -0.94 -3.72 0.00 0.00 177.10 173.08 2c3m s SER 514 N 1.72 -0.35 -0.03 -4.21 1.04 -0.74 -3.34 113.70 107.78 2c3m s SER 514 Ca 0.11 -0.04 0.11 0.00 0.48 0.00 0.00 55.95 56.60 2c3m s SER 514 Cb -0.16 0.40 0.37 0.00 0.10 0.00 0.00 66.02 66.72 2c3m s SER 514 CO 0.11 -0.66 1.25 -0.81 0.98 0.00 0.00 173.24 174.11 2c3m n PRO 515 N -0.27 2.20 -2.21 4.02 -0.04 -1.26 -3.38 135.00 134.06 2c3m n PRO 515 Ca -0.09 -1.46 -0.41 0.00 -0.04 0.00 0.00 63.50 61.50 2c3m n PRO 515 Cb 0.62 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2c3m n PRO 515 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2c3m n TRP 516 N 0.55 2.76 -0.07 0.54 8.01 -1.26 -4.77 117.44 123.20 2c3m n TRP 516 Ca 0.13 -2.79 -0.10 0.00 -1.31 0.00 0.00 57.50 53.43 2c3m n TRP 516 Cb 0.44 -1.88 0.05 0.00 -2.01 0.00 0.00 31.31 27.91 2c3m n TRP 516 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 2c3m h SER 517 N 5.25 0.81 -3.88 -0.99 0.02 -1.95 -3.36 113.55 109.44 2c3m h SER 517 Ca 0.52 -0.35 -0.48 0.00 -0.84 0.00 0.00 61.79 60.64 2c3m h SER 517 Cb 0.49 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2c3m h SER 517 CO 1.56 1.09 0.21 -0.94 -1.14 0.00 0.00 176.83 177.61 2c3m s SER 518 N -6.83 6.71 0.42 3.07 1.04 -1.26 -4.94 113.70 111.92 2c3m s SER 518 Ca -0.09 1.38 0.10 0.00 0.48 0.00 0.00 55.95 57.82 2c3m s SER 518 Cb 0.12 -2.42 0.93 0.00 0.10 0.00 0.00 66.02 64.75 2c3m s SER 518 CO 0.85 -0.36 2.03 0.25 0.98 0.00 0.00 173.24 176.99 2c3m h LEU 519 N 1.66 0.42 -0.03 2.42 5.85 -1.94 -0.95 115.31 122.75 2c3m h LEU 519 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2c3m h LEU 519 Cb 1.18 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 2c3m h LEU 519 CO 0.63 0.29 0.01 -0.08 -0.34 0.00 0.00 178.44 178.96 2c3m h GLU 520 N 0.49 0.03 -0.51 1.25 4.81 -1.95 0.24 114.58 118.95 2c3m h GLU 520 Ca 0.19 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2c3m h GLU 520 Cb 0.16 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2c3m h GLU 520 CO -0.05 0.02 -0.12 -0.44 -0.73 0.00 0.00 179.01 177.69 2c3m h ASP 521 N 0.03 0.98 -0.66 1.04 3.45 -1.73 -2.00 116.42 117.53 2c3m h ASP 521 Ca 0.01 -0.36 -0.04 0.00 0.43 0.00 0.00 57.03 57.07 2c3m h ASP 521 Cb 0.00 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.48 2c3m h ASP 521 CO -0.01 1.11 0.26 -0.03 -1.57 0.00 0.00 179.24 179.00 2c3m h MET 522 N 0.83 0.99 -0.30 3.56 4.05 -1.00 -1.37 114.93 121.69 2c3m h MET 522 Ca 0.13 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 2c3m h MET 522 Cb 0.68 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 2c3m h MET 522 CO 0.05 0.83 0.03 -0.44 0.23 0.00 0.00 176.91 177.61 2c3m h ASP 523 N 0.93 0.42 -0.07 1.39 3.45 -0.36 0.42 116.42 122.60 2c3m h ASP 523 Ca 0.22 -0.06 -0.21 0.00 0.43 0.00 0.00 57.03 57.41 2c3m h ASP 523 Cb 0.22 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 2c3m h ASP 523 CO -0.02 0.46 -0.72 0.50 -1.57 0.00 0.00 179.24 177.90 2c3m h LYS 524 N 0.44 0.71 0.00 3.56 3.64 -0.71 -3.38 116.57 120.83 2c3m h LYS 524 Ca 0.10 -0.55 -0.16 0.00 -1.27 0.00 0.00 60.65 58.77 2c3m h LYS 524 Cb 0.25 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2c3m h LYS 524 CO 0.00 1.16 -2.14 0.72 -2.27 0.00 0.00 179.45 176.93 2c3m n HIS 525 N -3.93 0.00 -2.66 1.91 8.25 -0.58 -4.96 115.22 113.26 2c3m n HIS 525 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 2c3m n HIS 525 Cb 0.71 -0.70 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 2c3m n HIS 525 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2c3m s LEU 526 N -4.90 4.34 0.50 2.41 2.96 0.12 -4.84 118.68 119.27 2c3m s LEU 526 Ca -0.09 1.69 -0.22 0.00 -0.22 0.00 0.00 54.13 55.29 2c3m s LEU 526 Cb 0.10 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.16 2c3m s LEU 526 CO 0.85 -0.34 1.27 -2.84 -1.32 0.00 0.00 176.35 173.96 2c3m s PRO 527 N 1.27 3.44 0.26 0.98 0.02 -1.26 -4.83 135.00 134.88 2c3m s PRO 527 Ca 0.52 2.02 -0.02 0.00 0.02 0.00 0.00 61.00 63.54 2c3m s PRO 527 Cb -0.22 -2.33 0.46 0.00 0.02 0.00 0.00 34.50 32.43 2c3m s PRO 527 CO 0.26 -0.88 1.82 0.66 -0.33 0.00 0.00 177.00 178.53 2c3m h SER 528 N 1.75 0.78 -0.54 2.53 4.64 -1.90 -0.83 113.55 119.99 2c3m h SER 528 Ca -0.50 0.05 0.07 0.00 -0.47 0.00 0.00 61.79 60.94 2c3m h SER 528 Cb 1.27 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 2c3m h SER 528 CO 0.59 0.43 0.21 1.23 -0.87 0.00 0.00 176.83 178.42 2c3m h GLY 529 N 0.88 0.73 0.82 -0.77 0.00 -1.91 0.52 103.07 103.34 2c3m h GLY 529 Ca 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 2c3m h GLY 529 CO -0.25 0.02 0.02 -2.22 0.00 0.00 0.00 176.54 174.11 2c3m h ILE 530 N 0.40 1.23 -0.51 2.60 2.04 -1.69 -1.62 117.51 119.97 2c3m h ILE 530 Ca 0.26 -0.75 0.08 0.00 1.00 0.00 0.00 64.86 65.45 2c3m h ILE 530 Cb 0.27 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 2c3m h ILE 530 CO -0.24 0.23 0.11 0.11 0.00 0.00 0.00 178.15 178.36 2c3m h LYS 531 N 0.07 0.25 -0.68 2.37 1.57 -0.63 -0.54 116.57 118.97 2c3m h LYS 531 Ca 0.05 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2c3m h LYS 531 Cb 0.32 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2c3m h LYS 531 CO 0.00 0.16 0.24 0.00 -0.57 0.00 0.00 179.45 179.28 2c3m h ARG 532 N 0.26 1.04 -0.44 3.15 3.08 -0.80 -1.98 114.38 118.69 2c3m h ARG 532 Ca 0.25 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2c3m h ARG 532 Cb 0.33 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2c3m h ARG 532 CO -0.32 0.89 0.18 1.15 -1.07 0.00 0.00 179.97 180.79 2c3m h THR 533 N 0.98 1.20 -0.11 2.04 2.02 -0.57 0.23 112.91 118.70 2c3m h THR 533 Ca 0.22 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.81 2c3m h THR 533 Cb 0.26 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2c3m h THR 533 CO -0.01 0.23 -0.04 0.40 0.37 0.00 0.00 175.52 176.47 2c3m h ILE 534 N 0.56 0.87 -0.16 3.11 2.04 -0.91 -1.10 117.51 121.92 2c3m h ILE 534 Ca 0.15 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 2c3m h ILE 534 Cb 0.19 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2c3m h ILE 534 CO -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 178.02 2c3m h ALA 535 N 1.09 0.23 -0.26 1.87 0.00 -1.18 -1.20 119.26 119.81 2c3m h ALA 535 Ca 0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2c3m h ALA 535 Cb 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2c3m h ALA 535 CO -0.12 0.08 -0.20 -0.91 0.00 0.00 0.00 179.25 178.10 2c3m h ASN 536 N 0.01 0.46 -0.24 0.00 2.35 -0.51 -2.63 115.58 115.03 2c3m h ASN 536 Ca 0.03 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2c3m h ASN 536 Cb 0.62 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2c3m h ASN 536 CO 0.03 0.68 0.00 0.29 -1.65 0.00 0.00 177.43 176.78 2c3m n LYS 537 N -4.16 1.85 -3.99 0.81 5.02 -0.42 -4.93 118.16 112.35 2c3m n LYS 537 Ca -0.00 -1.29 -0.29 0.00 -2.02 0.00 0.00 58.31 54.71 2c3m n LYS 537 Cb 0.37 -1.39 -0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2c3m n LYS 537 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2c3m n LYS 538 N 0.51 -4.15 -2.20 1.97 5.02 -0.97 0.45 118.16 118.79 2c3m n LYS 538 Ca 0.16 0.48 -0.34 0.00 -2.02 0.00 0.00 58.31 56.59 2c3m n LYS 538 Cb 0.36 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 2c3m n LYS 538 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c3m s LEU 539 N -7.11 3.66 -0.60 -0.35 1.43 -0.49 -3.81 118.68 111.41 2c3m s LEU 539 Ca 0.41 2.01 -0.20 0.00 -1.03 0.00 0.00 54.13 55.32 2c3m s LEU 539 Cb -0.22 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.53 2c3m s LEU 539 CO 0.87 -1.17 0.79 -0.54 0.23 0.00 0.00 176.35 176.54 2c3m s LYS 540 N -3.57 3.09 -0.19 1.70 1.02 0.14 -4.93 119.74 117.01 2c3m s LYS 540 Ca 0.69 -1.04 -0.15 0.00 0.02 0.00 0.00 55.97 55.49 2c3m s LYS 540 Cb -0.20 -4.22 -0.04 0.00 -0.52 0.00 0.00 37.83 32.85 2c3m s LYS 540 CO 0.30 -1.59 0.35 0.12 -0.92 0.00 0.00 175.35 173.61 2c3m s PHE 541 N 3.21 3.40 -0.09 3.18 5.36 -1.26 -1.44 117.98 130.34 2c3m s PHE 541 Ca 0.17 0.59 0.03 0.00 -0.96 0.00 0.00 56.93 56.76 2c3m s PHE 541 Cb -0.20 -2.45 0.01 0.00 -0.34 0.00 0.00 43.02 40.03 2c3m s PHE 541 CO 0.09 0.08 -0.17 0.71 -1.46 0.00 0.00 175.22 174.47 2c3m s TYR 542 N 1.01 1.98 -0.10 10.12 1.51 -0.02 0.81 117.35 132.66 2c3m s TYR 542 Ca 0.18 -0.82 0.02 0.00 -1.01 0.00 0.00 57.07 55.44 2c3m s TYR 542 Cb -0.14 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.31 2c3m s TYR 542 CO 0.07 -0.38 -0.15 1.21 -1.11 0.00 0.00 175.55 175.19 2c3m s ASN 543 N 0.63 3.90 -0.03 2.29 2.47 -1.26 -0.62 114.94 122.32 2c3m s ASN 543 Ca -0.14 -0.32 0.01 0.00 0.42 0.00 0.00 52.86 52.83 2c3m s ASN 543 Cb -0.16 -1.33 0.02 0.00 -1.45 0.00 0.00 41.25 38.32 2c3m s ASN 543 CO 0.04 0.22 -0.03 -0.51 -3.72 0.00 0.00 177.10 173.11 2c3m s ILE 544 N 0.01 0.38 -1.28 -5.21 2.07 0.06 -4.83 121.20 112.40 2c3m s ILE 544 Ca -0.05 -0.05 -0.14 0.00 -1.41 0.00 0.00 60.65 59.00 2c3m s ILE 544 Cb -0.14 -0.42 0.13 0.00 0.13 0.00 0.00 42.46 42.16 2c3m s ILE 544 CO 0.04 0.18 1.71 -0.67 -1.91 0.00 0.00 174.94 174.29 2c3m n ASP 545 N 3.93 4.96 -0.36 4.50 -0.08 -1.22 -1.80 116.55 126.48 2c3m n ASP 545 Ca -0.25 -2.98 0.05 0.00 -1.51 0.00 0.00 54.79 50.11 2c3m n ASP 545 Cb 0.51 -1.60 0.21 0.00 2.34 0.00 0.00 41.12 42.58 2c3m n ASP 545 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c3m h ALA 546 N 6.78 1.44 -0.26 -1.67 0.00 -1.93 -1.85 119.26 121.77 2c3m h ALA 546 Ca 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2c3m h ALA 546 Cb 0.79 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2c3m h ALA 546 CO 1.46 0.31 0.15 0.28 0.00 0.00 0.00 179.25 181.45 2c3m h VAL 547 N 1.06 1.11 -0.31 0.00 2.07 -1.87 -0.93 116.25 117.37 2c3m h VAL 547 Ca 0.46 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 2c3m h VAL 547 Cb 0.34 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2c3m h VAL 547 CO -0.22 0.10 0.16 0.50 0.02 0.00 0.00 177.57 178.13 2c3m h LYS 548 N 0.31 0.45 -0.22 1.57 3.64 -1.79 -1.47 116.57 119.05 2c3m h LYS 548 Ca 0.09 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2c3m h LYS 548 Cb 0.04 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2c3m h LYS 548 CO -0.02 0.41 0.11 0.82 -2.27 0.00 0.00 179.45 178.50 2c3m h ILE 549 N 0.38 1.13 -0.87 2.00 2.04 -1.24 -0.75 117.51 120.19 2c3m h ILE 549 Ca 0.11 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.68 2c3m h ILE 549 Cb 0.10 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 2c3m h ILE 549 CO -0.01 0.12 0.54 0.00 0.00 0.00 0.00 178.15 178.80 2c3m h ALA 550 N 0.99 1.19 -0.32 1.87 0.00 -1.08 -1.74 119.26 120.16 2c3m h ALA 550 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2c3m h ALA 550 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2c3m h ALA 550 CO -0.01 0.30 0.13 1.15 0.00 0.00 0.00 179.25 180.82 2c3m h THR 551 N 1.00 1.18 0.00 0.00 2.02 -0.90 0.12 112.91 116.33 2c3m h THR 551 Ca 0.38 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 2c3m h THR 551 Cb 0.16 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2c3m h THR 551 CO -0.17 0.19 -0.22 0.44 0.37 0.00 0.00 175.52 176.13 2c3m h ASP 552 N 0.37 0.00 0.08 4.18 3.32 -0.45 -2.72 116.42 121.21 2c3m h ASP 552 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2c3m h ASP 552 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2c3m h ASP 552 CO -0.01 0.22 -0.17 1.33 -1.72 0.00 0.00 179.24 178.89 2c3m n VAL 553 N -4.04 0.00 0.00 -1.35 0.24 -0.72 -4.95 118.33 107.51 2c3m n VAL 553 Ca -0.02 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2c3m n VAL 553 Cb 0.29 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 2c3m n VAL 553 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2c3m n GLY 554 N 1.30 0.60 0.27 7.63 0.00 -1.02 -4.73 105.19 109.23 2c3m n GLY 554 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 2c3m n GLY 554 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c3m n LEU 555 N 0.00 0.79 -3.91 0.99 4.77 0.40 -4.93 117.00 115.10 2c3m n LEU 555 Ca 0.00 -0.38 -0.28 0.00 -0.03 0.00 0.00 56.01 55.32 2c3m n LEU 555 Cb 0.00 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.01 2c3m n LEU 555 CO 0.00 0.19 -0.03 0.61 -1.33 0.00 0.00 177.39 176.83 2c3m n GLY 556 N 0.77 -0.38 2.18 -0.72 0.00 -1.19 -2.56 105.19 103.30 2c3m n GLY 556 Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2c3m n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c3m n GLY 557 N -1.68 2.84 3.66 -0.02 0.00 -1.26 -4.86 105.19 103.87 2c3m n GLY 557 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2c3m n GLY 557 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c3m s ARG 558 N -0.42 4.15 0.01 1.61 1.81 -1.06 -4.53 118.95 120.52 2c3m s ARG 558 Ca 0.00 2.51 0.24 0.00 -1.72 0.00 0.00 55.73 56.77 2c3m s ARG 558 Cb 0.00 -4.07 0.37 0.00 -0.45 0.00 0.00 34.95 30.80 2c3m s ARG 558 CO 0.00 -0.92 1.31 0.44 -0.68 0.00 0.00 175.30 175.46 2c3m n ILE 559 N 5.45 0.03 -0.22 1.52 -5.35 -1.26 -4.60 119.36 114.93 2c3m n ILE 559 Ca 0.19 -0.03 0.03 0.00 -0.27 0.00 0.00 62.75 62.67 2c3m n ILE 559 Cb 0.41 0.33 0.13 0.00 -1.74 0.00 0.00 39.64 38.77 2c3m n ILE 559 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2c3m h ASN 560 N 0.00 -0.21 -0.03 7.28 7.08 -1.91 -1.56 115.58 126.24 2c3m h ASN 560 Ca 0.00 0.16 -0.09 0.00 -3.08 0.00 0.00 56.30 53.29 2c3m h ASN 560 Cb 0.53 0.26 -0.01 0.00 -2.08 0.00 0.00 38.32 37.02 2c3m h ASN 560 CO 0.00 -0.10 -0.23 -0.03 -2.08 0.00 0.00 177.43 174.99 2c3m h MET 561 N 0.15 0.42 -0.19 4.14 4.05 -1.94 -1.08 114.93 120.49 2c3m h MET 561 Ca 0.36 -0.15 -0.04 0.00 -0.28 0.00 0.00 59.70 59.59 2c3m h MET 561 Cb 0.60 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 2c3m h MET 561 CO -0.54 0.63 -0.05 0.82 0.23 0.00 0.00 176.91 178.00 2c3m h ILE 562 N 0.38 1.29 0.00 1.77 5.03 -1.62 -1.65 117.51 122.71 2c3m h ILE 562 Ca 0.06 -1.02 -0.07 0.00 -0.12 0.00 0.00 64.86 63.71 2c3m h ILE 562 Cb 0.61 1.58 -0.01 0.00 -3.03 0.00 0.00 36.82 35.97 2c3m h ILE 562 CO 0.04 0.31 -0.33 0.24 -0.68 0.00 0.00 178.15 177.74 2c3m h MET 563 N 0.08 0.00 -0.33 2.37 2.86 -1.22 -1.58 114.93 117.11 2c3m h MET 563 Ca 0.05 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 2c3m h MET 563 Cb 0.49 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2c3m h MET 563 CO 0.02 0.33 -0.10 0.37 1.06 0.00 0.00 176.91 178.59 2c3m h GLN 564 N 0.00 0.65 -0.66 1.72 5.75 -1.05 -2.37 115.11 119.15 2c3m h GLN 564 Ca -0.00 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.22 2c3m h GLN 564 Cb 0.76 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 2c3m h GLN 564 CO 0.04 0.83 0.33 1.15 -2.65 0.00 0.00 178.83 178.53 2c3m h THR 565 N 0.42 1.21 -0.68 2.39 2.02 -0.80 -1.53 112.91 115.93 2c3m h THR 565 Ca 0.08 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2c3m h THR 565 Cb 0.60 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2c3m h THR 565 CO 0.04 0.24 0.43 0.00 0.37 0.00 0.00 175.52 176.60 2c3m h ALA 566 N 1.44 0.87 0.23 6.16 0.00 -1.03 -0.19 119.26 126.75 2c3m h ALA 566 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2c3m h ALA 566 Cb 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2c3m h ALA 566 CO -0.03 0.32 -0.11 0.35 0.00 0.00 0.00 179.25 179.78 2c3m h PHE 567 N 0.93 -0.28 -0.62 0.00 3.57 -0.85 -0.30 116.94 119.39 2c3m h PHE 567 Ca 0.25 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.75 2c3m h PHE 567 Cb -0.06 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2c3m h PHE 567 CO -0.02 -0.06 0.41 0.74 -2.23 0.00 0.00 178.31 177.15 2c3m h PHE 568 N -0.46 0.78 0.14 0.41 0.04 -1.08 -0.30 116.94 116.47 2c3m h PHE 568 Ca -0.03 0.02 -0.31 0.00 2.80 0.00 0.00 57.97 60.45 2c3m h PHE 568 Cb 0.35 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.24 2c3m h PHE 568 CO -0.02 0.49 -1.48 -0.22 -0.60 0.00 0.00 178.31 176.48 2c3m h LYS 569 N 0.84 0.31 0.00 1.51 3.64 -0.98 -3.42 116.57 118.46 2c3m h LYS 569 Ca 0.23 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2c3m h LYS 569 Cb -0.10 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2c3m h LYS 569 CO -0.05 1.20 -1.50 1.28 -2.27 0.00 0.00 179.45 178.11 2c3m n LEU 570 N -3.52 0.07 0.31 5.20 4.77 -0.13 -4.62 117.00 119.09 2c3m n LEU 570 Ca -0.15 -0.06 0.20 0.00 -0.03 0.00 0.00 56.01 55.97 2c3m n LEU 570 Cb 1.05 0.00 1.04 0.00 -2.33 0.00 0.00 43.42 43.18 2c3m n LEU 570 CO 0.53 0.02 1.12 0.00 -1.33 0.00 0.00 177.39 177.73 2c3m h ALA 571 N 1.29 1.10 -0.09 -1.18 0.00 -1.18 -3.47 119.26 115.74 2c3m h ALA 571 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2c3m h ALA 571 Cb 0.58 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2c3m h ALA 571 CO 0.00 0.02 -0.03 0.41 0.00 0.00 0.00 179.25 179.64 2c3m n GLY 572 N -0.87 0.53 0.11 0.00 0.00 -1.26 -4.87 105.19 98.82 2c3m n GLY 572 Ca -0.02 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 2c3m n GLY 572 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2c3m h VAL 573 N 0.00 1.09 -3.80 1.61 2.07 -1.88 -3.47 116.25 111.86 2c3m h VAL 573 Ca -0.04 -2.75 -0.35 0.00 0.82 0.00 0.00 66.70 64.38 2c3m h VAL 573 Cb 0.12 2.71 -0.19 0.00 -1.52 0.00 0.00 31.29 32.41 2c3m h VAL 573 CO 0.05 0.80 -0.75 -0.76 0.02 0.00 0.00 177.57 176.93 2c3m s LEU 574 N -6.90 2.35 0.63 2.57 1.43 -1.26 -5.13 118.68 112.37 2c3m s LEU 574 Ca -0.10 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.11 2c3m s LEU 574 Cb 0.07 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.90 2c3m s LEU 574 CO 0.84 -0.19 1.18 -2.16 0.23 0.00 0.00 176.35 176.26 2c3m s PRO 575 N -2.33 2.79 0.19 1.29 0.04 -1.26 -4.71 135.00 131.01 2c3m s PRO 575 Ca 0.02 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 2c3m s PRO 575 Cb -0.06 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.71 2c3m s PRO 575 CO 0.01 -1.32 1.59 0.35 0.04 0.00 0.00 177.00 177.67 2c3m h PHE 576 N 0.49 -0.84 -0.74 0.56 3.04 -1.92 -0.56 116.94 116.96 2c3m h PHE 576 Ca -0.49 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.52 2c3m h PHE 576 Cb 1.28 0.46 -0.04 0.00 2.56 0.00 0.00 35.95 40.22 2c3m h PHE 576 CO 0.49 -0.37 0.44 0.93 -2.02 0.00 0.00 178.31 177.78 2c3m h GLU 577 N -0.14 1.01 -0.38 1.11 5.08 -1.99 -1.71 114.58 117.56 2c3m h GLU 577 Ca 0.25 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2c3m h GLU 577 Cb 0.55 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2c3m h GLU 577 CO -0.68 0.72 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.82 2c3m h LYS 578 N 1.01 0.68 -0.13 2.33 3.64 -1.82 -2.10 116.57 120.18 2c3m h LYS 578 Ca 0.27 -0.22 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2c3m h LYS 578 Cb -0.03 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 2c3m h LYS 578 CO -0.05 0.78 -0.16 0.00 -2.27 0.00 0.00 179.45 177.76 2c3m h ALA 579 N 0.87 -0.08 -0.52 5.00 0.00 -0.72 0.14 119.26 123.95 2c3m h ALA 579 Ca 0.11 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2c3m h ALA 579 Cb 0.48 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2c3m h ALA 579 CO 0.02 -0.61 0.02 0.28 0.00 0.00 0.00 179.25 178.96 2c3m h VAL 580 N -0.20 1.26 0.20 0.00 2.07 -1.32 -2.17 116.25 116.10 2c3m h VAL 580 Ca 0.09 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.57 2c3m h VAL 580 Cb 0.34 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2c3m h VAL 580 CO -0.25 0.37 -0.25 -0.78 0.02 0.00 0.00 177.57 176.69 2c3m h ASP 581 N 0.77 -0.68 -0.27 0.57 -0.00 -0.99 -0.40 116.42 115.41 2c3m h ASP 581 Ca 0.15 0.07 -0.01 0.00 -0.00 0.00 0.00 57.03 57.24 2c3m h ASP 581 Cb 0.49 0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 40.05 2c3m h ASP 581 CO 0.02 -0.35 0.15 -0.07 -0.00 0.00 0.00 179.24 178.99 2c3m h LEU 582 N -0.50 0.37 -0.08 2.28 3.38 -0.94 0.16 115.31 119.98 2c3m h LEU 582 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2c3m h LEU 582 Cb 0.49 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2c3m h LEU 582 CO -0.09 0.32 -0.09 0.25 0.09 0.00 0.00 178.44 178.92 2c3m h LEU 583 N 0.42 0.21 -0.86 1.67 6.46 -0.99 -1.60 115.31 120.63 2c3m h LEU 583 Ca 0.11 -0.50 0.01 0.00 -0.12 0.00 0.00 57.88 57.38 2c3m h LEU 583 Cb 0.04 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 39.87 2c3m h LEU 583 CO -0.02 0.67 0.57 0.11 -0.62 0.00 0.00 178.44 179.15 2c3m h LYS 584 N -0.24 1.13 0.27 1.25 1.79 -0.72 -1.61 116.57 118.43 2c3m h LYS 584 Ca 0.01 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2c3m h LYS 584 Cb 0.62 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2c3m h LYS 584 CO 0.02 0.75 -0.26 0.87 -1.08 0.00 0.00 179.45 179.75 2c3m h LYS 585 N 1.16 -0.54 -0.88 3.15 1.79 -0.89 -2.48 116.57 117.90 2c3m h LYS 585 Ca 0.32 0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.93 2c3m h LYS 585 Cb -0.13 0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 30.57 2c3m h LYS 585 CO -0.07 -0.36 0.57 0.66 -1.08 0.00 0.00 179.45 179.17 2c3m h SER 586 N -0.56 0.74 -0.82 0.86 4.64 -0.91 0.48 113.55 117.98 2c3m h SER 586 Ca -0.01 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2c3m h SER 586 Cb 0.51 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 2c3m h SER 586 CO -0.05 0.42 0.45 0.40 -0.87 0.00 0.00 176.83 177.18 2c3m h ILE 587 N 0.81 1.24 -0.22 0.95 2.04 -0.92 0.46 117.51 121.87 2c3m h ILE 587 Ca 0.42 -0.61 -0.14 0.00 1.00 0.00 0.00 64.86 65.53 2c3m h ILE 587 Cb 0.50 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2c3m h ILE 587 CO -0.18 0.28 -0.40 0.45 0.00 0.00 0.00 178.15 178.30 2c3m h HIS 588 N 1.16 0.83 0.10 1.37 3.86 -0.66 -3.27 115.15 118.54 2c3m h HIS 588 Ca 0.29 -0.29 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2c3m h HIS 588 Cb 0.04 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2c3m h HIS 588 CO 0.01 1.05 -0.11 -0.22 0.86 0.00 0.00 177.93 179.52 2c3m h LYS 589 N 0.37 -0.21 0.00 2.45 3.64 -0.41 -3.37 116.57 119.04 2c3m h LYS 589 Ca 0.01 0.01 -0.38 0.00 -1.27 0.00 0.00 60.65 59.03 2c3m h LYS 589 Cb 0.99 0.05 0.19 0.00 -0.41 0.00 0.00 32.23 33.05 2c3m h LYS 589 CO 0.09 -0.14 0.09 0.00 -2.27 0.00 0.00 179.45 177.22 2c3m n ALA 590 N -2.39 -3.44 -0.19 5.00 0.00 0.16 -4.70 120.51 114.94 2c3m n ALA 590 Ca -0.03 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.86 2c3m n ALA 590 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2c3m n ALA 590 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c3m n TYR 591 N -4.85 0.00 0.00 0.00 4.01 -1.25 -4.57 117.16 110.51 2c3m n TYR 591 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2c3m n TYR 591 Cb 0.57 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 2c3m n TYR 591 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c3m n GLY 592 N 0.00 0.33 1.83 2.72 0.00 -1.26 -4.44 105.19 104.37 2c3m n GLY 592 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2c3m n GLY 592 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2c3m n LYS 593 N -1.14 3.92 -0.39 1.61 4.81 -1.26 -3.71 118.16 122.00 2c3m n LYS 593 Ca 0.00 -2.78 0.00 0.00 -0.87 0.00 0.00 58.31 54.66 2c3m n LYS 593 Cb 0.00 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 32.90 2c3m n LYS 593 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2c3m n LYS 594 N 0.19 0.00 0.00 1.64 5.02 -1.26 -5.14 118.16 118.61 2c3m n LYS 594 Ca 0.32 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 2c3m n LYS 594 Cb 1.21 -0.44 0.00 0.00 -0.02 0.00 0.00 35.03 35.78 2c3m n LYS 594 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3m n GLY 595 N 0.00 0.75 0.22 0.72 0.00 -1.24 -4.30 105.19 101.34 2c3m n GLY 595 Ca 0.00 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.28 2c3m n GLY 595 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c3m h GLU 596 N 0.00 0.05 0.27 1.61 3.07 -2.00 -3.03 114.58 114.55 2c3m h GLU 596 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2c3m h GLU 596 Cb 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 2c3m h GLU 596 CO 0.00 0.25 -0.26 -0.22 -1.40 0.00 0.00 179.01 177.38 2c3m h LYS 597 N 0.05 -0.54 -0.54 2.33 3.64 -1.99 0.42 116.57 119.95 2c3m h LYS 597 Ca 0.01 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2c3m h LYS 597 Cb 0.38 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 2c3m h LYS 597 CO 0.03 -0.36 0.32 0.82 -2.27 0.00 0.00 179.45 177.99 2c3m h ILE 598 N -0.56 1.06 -0.23 2.00 1.08 -1.73 -0.60 117.51 118.53 2c3m h ILE 598 Ca -0.01 -0.22 0.02 0.00 -0.39 0.00 0.00 64.86 64.26 2c3m h ILE 598 Cb 0.51 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 2c3m h ILE 598 CO -0.05 0.12 0.08 0.58 -0.69 0.00 0.00 178.15 178.18 2c3m h VAL 599 N 0.64 0.94 -0.70 1.67 2.07 -1.36 -2.24 116.25 117.28 2c3m h VAL 599 Ca 0.22 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.72 2c3m h VAL 599 Cb 0.02 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2c3m h VAL 599 CO -0.10 0.03 0.42 0.50 0.02 0.00 0.00 177.57 178.45 2c3m h LYS 600 N 0.19 0.78 -0.83 1.57 1.63 0.42 0.08 116.57 120.40 2c3m h LYS 600 Ca 0.10 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 2c3m h LYS 600 Cb 0.07 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.48 2c3m h LYS 600 CO -0.11 0.51 0.55 0.52 -3.45 0.00 0.00 179.45 177.47 2c3m h MET 601 N 0.80 1.09 -0.14 1.90 2.86 -0.74 0.75 114.93 121.45 2c3m h MET 601 Ca 0.30 -0.07 -0.17 0.00 -2.06 0.00 0.00 59.70 57.70 2c3m h MET 601 Cb 0.10 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 2c3m h MET 601 CO -0.14 0.72 -0.63 -0.91 1.06 0.00 0.00 176.91 177.02 2c3m h ASN 602 N 1.12 0.58 0.63 1.22 4.21 -0.79 -1.34 115.58 121.22 2c3m h ASN 602 Ca 0.30 -0.34 -0.14 0.00 1.21 0.00 0.00 56.30 57.33 2c3m h ASN 602 Cb -0.13 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 36.89 2c3m h ASN 602 CO -0.06 1.06 -0.67 0.71 -1.29 0.00 0.00 177.43 177.18 2c3m h THR 603 N 0.38 1.47 -0.07 2.81 1.35 -0.73 -2.24 112.91 115.87 2c3m h THR 603 Ca -0.01 -2.27 -0.12 0.00 -0.55 0.00 0.00 66.41 63.46 2c3m h THR 603 Cb 1.18 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 69.81 2c3m h THR 603 CO 0.11 0.65 -0.50 0.44 -0.25 0.00 0.00 175.52 175.97 2c3m h ASP 604 N 0.02 0.20 -0.38 5.36 3.45 -0.73 -1.46 116.42 122.89 2c3m h ASP 604 Ca -0.01 -0.10 -0.07 0.00 0.43 0.00 0.00 57.03 57.28 2c3m h ASP 604 Cb 1.19 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.89 2c3m h ASP 604 CO 0.09 0.67 -0.05 0.00 -1.57 0.00 0.00 179.24 178.38 2c3m h ALA 605 N 1.33 0.52 -0.09 3.45 0.00 -0.95 -1.18 119.26 122.35 2c3m h ALA 605 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2c3m h ALA 605 Cb 0.94 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2c3m h ALA 605 CO 0.07 0.34 0.05 0.28 0.00 0.00 0.00 179.25 180.00 2c3m h VAL 606 N 0.51 1.02 -0.11 0.00 2.07 -1.12 0.51 116.25 119.13 2c3m h VAL 606 Ca 0.10 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.59 2c3m h VAL 606 Cb 0.55 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2c3m h VAL 606 CO 0.03 0.02 0.04 0.44 0.02 0.00 0.00 177.57 178.12 2c3m h ASP 607 N 0.11 0.05 -0.38 0.57 3.45 -1.19 -0.07 116.42 118.96 2c3m h ASP 607 Ca 0.03 0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.44 2c3m h ASP 607 Cb -0.01 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 2c3m h ASP 607 CO -0.01 0.05 0.05 -0.61 -1.57 0.00 0.00 179.24 177.14 2c3m h GLN 608 N 0.10 0.72 -0.23 3.56 5.75 -1.09 -0.86 115.11 123.06 2c3m h GLN 608 Ca 0.04 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 2c3m h GLN 608 Cb 0.02 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2c3m h GLN 608 CO -0.04 0.70 -0.02 0.00 -2.65 0.00 0.00 178.83 176.82 2c3m h ALA 609 N 1.37 0.31 -0.91 3.38 0.00 -0.57 0.01 119.26 122.86 2c3m h ALA 609 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2c3m h ALA 609 Cb 0.35 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2c3m h ALA 609 CO 0.01 0.07 0.52 0.28 0.00 0.00 0.00 179.25 180.13 2c3m h VAL 610 N 0.18 1.26 -0.30 0.00 2.07 -0.75 0.10 116.25 118.81 2c3m h VAL 610 Ca 0.06 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2c3m h VAL 610 Cb 0.45 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2c3m h VAL 610 CO 0.02 0.28 0.11 0.74 0.02 0.00 0.00 177.57 178.74 2c3m h THR 611 N 1.26 1.19 0.00 2.57 2.02 -0.94 -3.17 112.91 115.84 2c3m h THR 611 Ca 0.32 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2c3m h THR 611 Cb -0.01 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2c3m h THR 611 CO -0.06 0.20 0.00 0.28 0.37 0.00 0.00 175.52 176.31 2c3m h SER 612 N 0.33 0.00 -0.95 4.18 0.02 -0.61 -3.42 113.55 113.10 2c3m h SER 612 Ca 0.10 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.51 2c3m h SER 612 Cb 0.20 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.66 2c3m h SER 612 CO -0.01 0.00 1.47 -0.76 -1.14 0.00 0.00 176.83 176.39 2c3m s LEU 613 N -4.84 3.48 0.13 5.07 1.43 -0.01 -4.93 118.68 119.01 2c3m s LEU 613 Ca 0.10 -1.52 0.08 0.00 -1.03 0.00 0.00 54.13 51.75 2c3m s LEU 613 Cb 0.11 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2c3m s LEU 613 CO 0.60 -1.77 -0.18 -1.10 0.23 0.00 0.00 176.35 174.13 2c3m s GLN 614 N 5.30 1.14 0.45 1.70 -1.52 -1.26 -5.00 119.66 120.47 2c3m s GLN 614 Ca 0.53 -1.26 -0.25 0.00 -1.95 0.00 0.00 55.36 52.44 2c3m s GLN 614 Cb -0.00 -1.22 -0.08 0.00 -0.22 0.00 0.00 33.01 31.48 2c3m s GLN 614 CO -0.03 0.26 1.40 -1.21 -0.25 0.00 0.00 175.29 175.46 2c3m s GLU 615 N -2.40 3.68 -0.27 2.91 2.02 -1.26 -4.43 118.70 118.96 2c3m s GLU 615 Ca 0.10 2.37 -0.21 0.00 0.02 0.00 0.00 54.97 57.24 2c3m s GLU 615 Cb -0.07 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 2c3m s GLU 615 CO 0.05 -0.80 0.68 0.12 0.02 0.00 0.00 175.26 175.32 2c3m s PHE 616 N -1.22 3.27 -0.51 1.61 5.36 0.24 -4.98 117.98 121.75 2c3m s PHE 616 Ca 0.61 0.82 -0.29 0.00 -0.96 0.00 0.00 56.93 57.12 2c3m s PHE 616 Cb -0.43 -2.94 0.03 0.00 -0.34 0.00 0.00 43.02 39.34 2c3m s PHE 616 CO 0.54 -0.39 1.21 0.15 -1.46 0.00 0.00 175.22 175.27 2c3m s LYS 617 N 2.62 3.61 0.08 10.12 -0.14 -1.26 -4.69 119.74 130.08 2c3m s LYS 617 Ca 0.28 0.50 0.04 0.00 -1.36 0.00 0.00 55.97 55.43 2c3m s LYS 617 Cb -0.15 -3.97 -0.04 0.00 -1.68 0.00 0.00 37.83 31.99 2c3m s LYS 617 CO 0.09 -1.54 0.04 1.52 -0.76 0.00 0.00 175.35 174.70 2c3m s TYR 618 N 4.85 3.10 0.57 3.18 -0.85 -1.26 -4.98 117.35 121.96 2c3m s TYR 618 Ca 0.48 0.03 -0.14 0.00 -0.52 0.00 0.00 57.07 56.92 2c3m s TYR 618 Cb -0.08 -1.59 -0.05 0.00 0.38 0.00 0.00 41.96 40.62 2c3m s TYR 618 CO 0.30 0.50 1.02 -1.25 -1.52 0.00 0.00 175.55 174.59 2c3m s PRO 619 N -2.31 3.65 0.44 -3.49 0.04 -1.26 -4.96 135.00 127.11 2c3m s PRO 619 Ca 0.27 0.94 0.15 0.00 0.04 0.00 0.00 61.00 62.40 2c3m s PRO 619 Cb -0.12 -2.09 0.97 0.00 0.04 0.00 0.00 34.50 33.30 2c3m s PRO 619 CO 0.20 -0.52 1.96 0.22 0.04 0.00 0.00 177.00 178.90 2c3m h ASP 620 N 0.34 0.00 0.00 6.66 3.58 -1.99 -2.34 116.42 122.67 2c3m h ASP 620 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2c3m h ASP 620 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2c3m h ASP 620 CO 0.60 0.22 0.02 0.77 -2.88 0.00 0.00 179.24 177.98 2c3m h SER 621 N 0.00 0.00 0.12 2.28 4.64 -2.00 -1.06 113.55 117.53 2c3m h SER 621 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2c3m h SER 621 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2c3m h SER 621 CO 0.03 0.00 -0.06 -0.50 -0.87 0.00 0.00 176.83 175.43 2c3m h TRP 622 N 0.00 0.00 -1.06 4.77 4.06 -1.75 -2.62 115.95 119.35 2c3m h TRP 622 Ca 0.00 0.00 0.28 0.00 2.06 0.00 0.00 58.89 61.23 2c3m h TRP 622 Cb 0.05 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.12 2c3m h TRP 622 CO 0.00 0.06 0.71 0.87 -3.56 0.00 0.00 178.44 176.51 2c3m h LYS 623 N 0.00 0.28 -0.96 0.49 1.57 -1.41 -2.30 116.57 114.24 2c3m h LYS 623 Ca -0.00 -0.02 -0.42 0.00 -1.87 0.00 0.00 60.65 58.34 2c3m h LYS 623 Cb 0.13 -0.06 -0.41 0.00 0.08 0.00 0.00 32.23 31.97 2c3m h LYS 623 CO 0.01 0.19 -1.00 -0.40 -0.57 0.00 0.00 179.45 177.67 2c3m n ASP 624 N -4.52 2.84 -4.75 0.86 5.68 -0.99 -4.73 116.55 110.94 2c3m n ASP 624 Ca 0.25 -2.97 -0.42 0.00 -0.50 0.00 0.00 54.79 51.16 2c3m n ASP 624 Cb 0.96 -0.47 -0.02 0.00 -1.14 0.00 0.00 41.12 40.45 2c3m n ASP 624 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2c3m n ALA 625 N -0.39 2.64 -1.75 2.12 0.00 -0.87 -4.93 120.51 117.33 2c3m n ALA 625 Ca 0.22 0.37 -0.36 0.00 0.00 0.00 0.00 53.44 53.67 2c3m n ALA 625 Cb 0.80 -2.48 0.04 0.00 0.00 0.00 0.00 19.45 17.81 2c3m n ALA 625 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2c3m s PRO 626 N -0.33 2.94 0.41 0.00 0.04 -1.26 -4.86 135.00 131.95 2c3m s PRO 626 Ca 0.65 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 63.43 2c3m s PRO 626 Cb -0.49 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.06 2c3m s PRO 626 CO 0.47 -1.23 0.79 0.00 0.04 0.00 0.00 177.00 177.06 2c3m s ALA 627 N -1.57 3.32 0.68 8.56 0.00 -1.26 -4.62 121.76 126.87 2c3m s ALA 627 Ca 0.78 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.61 2c3m s ALA 627 Cb -0.31 -2.74 0.13 0.00 0.00 0.00 0.00 23.12 20.19 2c3m s ALA 627 CO 0.34 -0.02 0.92 -0.85 0.00 0.00 0.00 175.76 176.14 2c3m n GLU 628 N -1.30 0.16 0.00 0.00 0.28 -1.26 -5.11 120.64 113.41 2c3m n GLU 628 Ca 0.03 -2.86 0.00 0.00 -0.16 0.00 0.00 57.16 54.17 2c3m n GLU 628 Cb 0.54 -0.50 0.00 0.00 1.43 0.00 0.00 31.44 32.91 2c3m n GLU 628 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2c3m n THR 629 N -2.63 0.00 -3.96 3.84 -2.24 -1.26 -5.05 114.28 102.98 2c3m n THR 629 Ca 0.16 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.64 2c3m n THR 629 Cb 0.59 -1.89 -0.15 0.00 -2.10 0.00 0.00 70.33 66.78 2c3m n THR 629 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2c3m s LYS 630 N -0.14 1.50 -0.05 -0.78 -2.85 -1.26 -4.93 119.74 111.23 2c3m s LYS 630 Ca 0.00 -1.96 0.05 0.00 -1.00 0.00 0.00 55.97 53.06 2c3m s LYS 630 Cb 0.00 -3.05 0.23 0.00 -2.06 0.00 0.00 37.83 32.95 2c3m s LYS 630 CO 0.00 -0.99 0.95 0.00 0.10 0.00 0.00 175.35 175.41 2c3m n ALA 631 N 4.02 2.78 -1.62 0.59 0.00 -1.26 -4.90 120.51 120.12 2c3m n ALA 631 Ca 0.04 -0.51 -0.45 0.00 0.00 0.00 0.00 53.44 52.51 2c3m n ALA 631 Cb 0.39 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 2c3m n ALA 631 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2c3m n GLU 632 N 0.17 2.15 -1.08 0.00 -0.00 -1.26 -4.96 120.64 115.65 2c3m n GLU 632 Ca 0.08 0.72 -0.28 0.00 -0.00 0.00 0.00 57.16 57.67 2c3m n GLU 632 Cb 0.43 -2.90 0.19 0.00 -0.00 0.00 0.00 31.44 29.16 2c3m n GLU 632 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2c3m s PRO 633 N 5.18 0.13 0.06 3.44 0.04 -1.26 -4.95 135.00 137.65 2c3m s PRO 633 Ca 0.97 0.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.22 2c3m s PRO 633 Cb -0.54 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 2c3m s PRO 633 CO 0.44 -2.93 1.33 -1.64 0.04 0.00 0.00 177.00 174.23 2c3m s MET 634 N -4.90 4.35 0.05 4.56 -1.94 -1.26 -5.00 119.30 115.15 2c3m s MET 634 Ca 0.66 1.94 -0.05 0.00 -1.71 0.00 0.00 55.69 56.53 2c3m s MET 634 Cb -0.19 -3.37 -0.02 0.00 2.01 0.00 0.00 34.83 33.26 2c3m s MET 634 CO 0.59 -0.41 0.08 0.99 -0.01 0.00 0.00 175.02 176.25 2c3m s THR 635 N 1.44 0.15 0.76 2.05 2.01 -1.26 -5.06 115.64 115.72 2c3m s THR 635 Ca 0.62 -1.26 -0.12 0.00 0.31 0.00 0.00 61.69 61.25 2c3m s THR 635 Cb -0.33 -1.08 0.05 0.00 0.01 0.00 0.00 72.50 71.15 2c3m s THR 635 CO 0.29 -0.69 1.13 0.54 -0.69 0.00 0.00 174.62 175.19 2c3m s ASN 636 N -2.39 4.97 0.28 3.53 2.20 -1.26 -4.89 114.94 117.38 2c3m s ASN 636 Ca -0.01 1.01 0.01 0.00 -0.94 0.00 0.00 52.86 52.92 2c3m s ASN 636 Cb 0.01 -1.68 0.54 0.00 -2.00 0.00 0.00 41.25 38.12 2c3m s ASN 636 CO -0.07 -1.64 1.84 -0.08 -2.94 0.00 0.00 177.10 174.22 2c3m h GLU 637 N -0.86 0.98 -0.37 3.55 4.81 -2.02 -2.28 114.58 118.40 2c3m h GLU 637 Ca -0.46 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 58.60 2c3m h GLU 637 Cb 1.29 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2c3m h GLU 637 CO 0.64 0.65 -0.25 0.35 -0.73 0.00 0.00 179.01 179.67 2c3m h PHE 638 N 1.01 0.85 -0.49 0.92 3.57 -1.98 -0.83 116.94 120.00 2c3m h PHE 638 Ca 0.49 -0.20 -0.10 0.00 3.53 0.00 0.00 57.97 61.69 2c3m h PHE 638 Cb 0.46 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2c3m h PHE 638 CO -0.00 0.92 -0.09 0.35 -2.23 0.00 0.00 178.31 177.25 2c3m h PHE 639 N 0.65 0.97 -0.15 0.41 3.57 -1.80 0.36 116.94 120.95 2c3m h PHE 639 Ca 0.08 -0.18 -0.09 0.00 3.53 0.00 0.00 57.97 61.31 2c3m h PHE 639 Cb 0.76 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2c3m h PHE 639 CO 0.04 0.93 -0.27 0.87 -2.23 0.00 0.00 178.31 177.64 2c3m h LYS 640 N 0.80 0.45 0.00 1.11 1.57 -1.26 0.21 116.57 119.45 2c3m h LYS 640 Ca 0.13 -0.28 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 2c3m h LYS 640 Cb 0.61 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 2c3m h LYS 640 CO 0.04 0.88 -0.91 -0.91 -0.57 0.00 0.00 179.45 177.98 2c3m h ASN 641 N 0.07 0.00 0.00 0.86 2.35 -1.11 -3.41 115.58 114.35 2c3m h ASN 641 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2c3m h ASN 641 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 2c3m h ASN 641 CO 0.06 0.75 -0.69 0.52 -1.65 0.00 0.00 177.43 176.43 2c3m n VAL 642 N -3.22 0.05 0.18 2.81 0.31 0.07 -4.79 118.33 113.75 2c3m n VAL 642 Ca -0.02 0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2c3m n VAL 642 Cb 0.86 -1.23 -0.08 0.00 -0.91 0.00 0.00 33.84 32.48 2c3m n VAL 642 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2c3m h VAL 643 N 0.00 0.64 -0.56 2.52 2.07 -1.40 -2.77 116.25 116.75 2c3m h VAL 643 Ca 0.00 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.06 2c3m h VAL 643 Cb 0.69 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2c3m h VAL 643 CO 0.00 0.09 0.35 0.50 0.02 0.00 0.00 177.57 178.53 2c3m h LYS 644 N -0.75 0.67 -0.95 1.57 3.64 -0.82 0.36 116.57 120.28 2c3m h LYS 644 Ca -0.05 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2c3m h LYS 644 Cb 0.51 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 2c3m h LYS 644 CO 0.08 0.44 0.61 -1.35 -2.27 0.00 0.00 179.45 176.97 2c3m h PRO 645 N 0.69 0.99 -0.23 1.90 0.11 -1.78 -0.36 132.00 133.33 2c3m h PRO 645 Ca 0.22 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 2c3m h PRO 645 Cb -0.01 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 2c3m h PRO 645 CO -0.08 0.66 -0.24 0.82 -0.21 0.00 0.00 178.00 178.95 2c3m h ILE 646 N 1.02 1.32 0.00 4.15 2.04 -1.06 0.15 117.51 125.13 2c3m h ILE 646 Ca 0.43 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 2c3m h ILE 646 Cb 0.31 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2c3m h ILE 646 CO -0.19 0.44 -0.13 -0.07 0.00 0.00 0.00 178.15 178.19 2c3m h LEU 647 N 0.27 0.00 -2.85 1.44 3.38 -0.27 -1.88 115.31 115.40 2c3m h LEU 647 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2c3m h LEU 647 Cb 0.79 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2c3m h LEU 647 CO 0.06 0.13 0.07 0.35 0.09 0.00 0.00 178.44 179.14 2c3m n THR 648 N -3.85 2.00 -2.55 0.22 -2.24 -0.21 -4.90 114.28 102.75 2c3m n THR 648 Ca -0.02 -1.02 -0.17 0.00 -2.27 0.00 0.00 64.05 60.57 2c3m n THR 648 Cb 0.23 -0.39 0.01 0.00 -2.10 0.00 0.00 70.33 68.08 2c3m n THR 648 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c3m n GLN 649 N 0.27 -2.43 -0.13 -0.78 1.13 -0.70 -4.76 117.38 109.98 2c3m n GLN 649 Ca 0.22 0.78 0.06 0.00 -1.94 0.00 0.00 57.00 56.12 2c3m n GLN 649 Cb 0.97 -5.23 0.12 0.00 0.11 0.00 0.00 30.24 26.21 2c3m n GLN 649 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2c3m n GLN 650 N -2.93 2.40 -0.04 -1.09 1.13 0.51 -4.73 117.38 112.63 2c3m n GLN 650 Ca -0.15 -2.19 0.13 0.00 -1.94 0.00 0.00 57.00 52.85 2c3m n GLN 650 Cb 0.63 -1.36 0.55 0.00 0.11 0.00 0.00 30.24 30.16 2c3m n GLN 650 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2c3m h GLY 651 N 0.66 0.43 2.00 1.08 0.00 -1.75 -0.75 103.07 104.75 2c3m h GLY 651 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 2c3m h GLY 651 CO 0.04 0.07 -0.00 -0.55 0.00 0.00 0.00 176.54 176.10 2c3m h ASP 652 N 0.30 0.00 1.10 0.19 3.32 -1.92 -1.18 116.42 118.24 2c3m h ASP 652 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2c3m h ASP 652 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2c3m h ASP 652 CO -0.06 0.00 -0.28 0.29 -1.72 0.00 0.00 179.24 177.47 2c3m n LYS 653 N -3.09 0.22 -2.36 3.56 5.02 -0.29 -4.82 118.16 116.40 2c3m n LYS 653 Ca -0.02 0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 2c3m n LYS 653 Cb 0.12 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 2c3m n LYS 653 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c3m s LEU 654 N -4.10 4.34 0.81 -0.35 1.43 -0.45 -4.98 118.68 115.38 2c3m s LEU 654 Ca 0.09 2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 55.10 2c3m s LEU 654 Cb 0.14 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.86 2c3m s LEU 654 CO 0.64 -0.57 1.12 -2.16 0.23 0.00 0.00 176.35 175.62 2c3m s PRO 655 N 1.59 2.00 0.32 1.29 0.04 -1.26 -4.72 135.00 134.26 2c3m s PRO 655 Ca 0.60 0.45 0.05 0.00 0.04 0.00 0.00 61.00 62.14 2c3m s PRO 655 Cb -0.30 -1.92 0.69 0.00 0.04 0.00 0.00 34.50 33.01 2c3m s PRO 655 CO 0.27 -1.64 1.86 0.28 0.04 0.00 0.00 177.00 177.81 2c3m h VAL 656 N -1.09 0.89 0.00 -0.36 2.07 -1.71 -1.43 116.25 114.62 2c3m h VAL 656 Ca -0.47 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2c3m h VAL 656 Cb 1.29 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2c3m h VAL 656 CO 0.62 0.15 0.00 -1.54 0.02 0.00 0.00 177.57 176.82 2c3m n SER 657 N -4.58 0.52 0.06 0.57 3.41 -1.26 -1.94 113.62 110.40 2c3m n SER 657 Ca 0.18 0.74 0.12 0.00 -0.26 0.00 0.00 58.87 59.65 2c3m n SER 657 Cb 0.40 -0.81 0.48 0.00 -0.26 0.00 0.00 64.21 64.02 2c3m n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c3m n ALA 658 N -1.75 2.11 -2.62 7.33 0.00 -0.54 -4.86 120.51 120.17 2c3m n ALA 658 Ca -0.01 -0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.13 2c3m n ALA 658 Cb 0.04 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 2c3m n ALA 658 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2c3m s PHE 659 N -3.09 2.72 0.18 0.00 0.40 -0.82 -5.04 117.98 112.34 2c3m s PHE 659 Ca 0.10 -0.19 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 2c3m s PHE 659 Cb 0.14 -1.30 -0.08 0.00 0.51 0.00 0.00 43.02 42.29 2c3m s PHE 659 CO 0.49 0.54 0.99 -1.21 0.70 0.00 0.00 175.22 176.73 2c3m s GLU 660 N -3.03 4.72 0.28 0.44 0.41 -1.26 -4.94 118.70 115.32 2c3m s GLU 660 Ca 0.27 1.55 0.02 0.00 -0.41 0.00 0.00 54.97 56.39 2c3m s GLU 660 Cb -0.08 -3.31 0.59 0.00 -1.78 0.00 0.00 34.13 29.55 2c3m s GLU 660 CO 0.17 0.28 1.79 0.00 -0.49 0.00 0.00 175.26 177.02 2c3m h ALA 661 N 4.87 1.46 -0.22 5.21 0.00 -1.95 -0.48 119.26 128.15 2c3m h ALA 661 Ca -0.44 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2c3m h ALA 661 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2c3m h ALA 661 CO 0.70 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 2c3m n ASP 662 N -4.76 1.31 0.00 0.00 3.85 -1.26 -4.92 116.55 110.77 2c3m n ASP 662 Ca 0.19 -1.91 0.00 0.00 -0.71 0.00 0.00 54.79 52.36 2c3m n ASP 662 Cb 0.45 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 2c3m n ASP 662 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2c3m n GLY 663 N 0.93 0.76 3.75 6.12 0.00 -0.19 -4.81 105.19 111.76 2c3m n GLY 663 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2c3m n GLY 663 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2c3m s ARG 664 N -0.15 2.66 0.12 1.61 1.70 -1.26 -4.92 118.95 118.71 2c3m s ARG 664 Ca 0.00 1.58 0.05 0.00 -0.47 0.00 0.00 55.73 56.89 2c3m s ARG 664 Cb 0.00 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.43 2c3m s ARG 664 CO 0.00 -1.39 -0.13 -0.06 -1.08 0.00 0.00 175.30 172.64 2c3m s PHE 665 N -2.08 1.34 0.53 5.89 0.40 -1.26 -4.53 117.98 118.26 2c3m s PHE 665 Ca 0.71 -0.60 -0.08 0.00 -0.60 0.00 0.00 56.93 56.37 2c3m s PHE 665 Cb -0.25 -0.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.55 2c3m s PHE 665 CO 0.40 0.12 0.88 -1.25 0.70 0.00 0.00 175.22 176.07 2c3m s PRO 666 N -2.86 3.57 0.63 0.24 0.04 -1.26 -5.07 135.00 130.29 2c3m s PRO 666 Ca 0.10 0.42 -0.11 0.00 0.04 0.00 0.00 61.00 61.44 2c3m s PRO 666 Cb -0.03 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2c3m s PRO 666 CO 0.02 -0.34 1.04 -0.51 0.04 0.00 0.00 177.00 177.25 2c3m s LEU 667 N -4.89 3.17 -0.62 -3.56 1.02 -1.26 -4.44 118.68 108.09 2c3m s LEU 667 Ca 0.50 1.34 0.00 0.00 0.02 0.00 0.00 54.13 55.99 2c3m s LEU 667 Cb -0.11 -4.33 0.00 0.00 0.02 0.00 0.00 46.19 41.78 2c3m s LEU 667 CO 0.48 -0.97 0.00 0.61 0.02 0.00 0.00 176.35 176.49 2c3m n GLY 668 N -2.79 0.82 0.14 -3.19 0.00 0.15 -4.87 105.19 95.45 2c3m n GLY 668 Ca 0.06 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.65 2c3m n GLY 668 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2c3m h THR 669 N 0.00 0.00 0.00 2.61 1.35 -1.67 -2.69 112.91 112.51 2c3m h THR 669 Ca -0.12 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2c3m h THR 669 Cb 0.46 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2c3m h THR 669 CO 0.18 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.91 2c3m n SER 670 N -2.33 0.72 0.25 5.36 3.41 -1.06 -3.39 113.62 116.58 2c3m n SER 670 Ca 0.02 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.37 2c3m n SER 670 Cb 0.26 -0.78 0.81 0.00 -0.26 0.00 0.00 64.21 64.24 2c3m n SER 670 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2c3m h GLN 671 N 0.00 0.00 -0.06 4.33 1.08 -1.76 -2.73 115.11 115.97 2c3m h GLN 671 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2c3m h GLN 671 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2c3m h GLN 671 CO 0.00 0.00 0.00 1.19 -0.95 0.00 0.00 178.83 179.07 2c3m n PHE 672 N -4.05 0.05 -0.10 2.96 3.01 -1.22 -4.60 117.46 113.51 2c3m n PHE 672 Ca -0.01 -0.03 -0.12 0.00 1.01 0.00 0.00 57.45 58.30 2c3m n PHE 672 Cb 0.17 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.60 2c3m n PHE 672 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2c3m h GLU 673 N 3.58 0.58 -6.78 -1.08 5.08 -1.66 -3.47 114.58 110.84 2c3m h GLU 673 Ca 0.00 -0.24 -0.30 0.00 -1.00 0.00 0.00 59.36 57.82 2c3m h GLU 673 Cb 0.77 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2c3m h GLU 673 CO 0.00 0.80 -0.56 1.63 -1.00 0.00 0.00 179.01 179.88 2c3m n LYS 674 N -4.45 -0.67 -0.06 2.33 4.76 -1.26 -4.82 118.16 113.99 2c3m n LYS 674 Ca -0.03 -0.02 -0.01 0.00 -2.87 0.00 0.00 58.31 55.38 2c3m n LYS 674 Cb 0.34 -0.95 0.25 0.00 -1.84 0.00 0.00 35.03 32.83 2c3m n LYS 674 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2c3m h ARG 675 N 0.13 0.66 -5.80 1.97 3.08 -1.91 -3.47 114.38 109.03 2c3m h ARG 675 Ca -0.37 -0.14 -0.36 0.00 0.07 0.00 0.00 59.98 59.18 2c3m h ARG 675 Cb 0.75 -0.09 0.13 0.00 0.08 0.00 0.00 29.97 30.83 2c3m h ARG 675 CO 0.25 0.64 -0.79 0.41 -1.07 0.00 0.00 179.97 179.42 2c3m n GLY 676 N -0.85 -0.34 1.08 0.04 0.00 0.74 -4.92 105.19 100.94 2c3m n GLY 676 Ca 0.02 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2c3m n GLY 676 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2c3m n VAL 677 N -4.20 0.41 -2.41 1.61 0.24 -1.26 -4.96 118.33 107.76 2c3m n VAL 677 Ca -0.29 -0.71 -0.35 0.00 -2.04 0.00 0.00 64.34 60.96 2c3m n VAL 677 Cb 0.67 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 34.10 2c3m n VAL 677 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c3m s ALA 678 N -1.53 2.84 -0.20 2.33 0.00 -1.26 -4.94 121.76 119.01 2c3m s ALA 678 Ca 0.35 0.73 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 2c3m s ALA 678 Cb 0.21 -3.31 -0.20 0.00 0.00 0.00 0.00 23.12 19.82 2c3m s ALA 678 CO 0.30 -0.50 0.29 0.82 0.00 0.00 0.00 175.76 176.67 2c3m h ILE 679 N 1.54 1.01 -3.84 0.00 2.04 -1.91 -3.44 117.51 112.91 2c3m h ILE 679 Ca -0.50 -2.21 -0.64 0.00 1.00 0.00 0.00 64.86 62.52 2c3m h ILE 679 Cb 1.24 2.37 -0.22 0.00 -0.74 0.00 0.00 36.82 39.47 2c3m h ILE 679 CO 0.59 0.37 -0.85 0.20 0.00 0.00 0.00 178.15 178.46 2c3m s ASN 680 N -6.79 3.07 0.04 1.72 0.01 -1.26 -1.28 114.94 110.44 2c3m s ASN 680 Ca -0.27 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.13 2c3m s ASN 680 Cb 0.05 -0.20 -0.03 0.00 0.41 0.00 0.00 41.25 41.48 2c3m s ASN 680 CO 0.61 0.13 -0.04 0.68 -1.51 0.00 0.00 177.10 176.97 2c3m s VAL 681 N -1.17 0.27 0.47 1.60 -7.23 0.65 -3.92 120.40 111.07 2c3m s VAL 681 Ca 0.12 -1.36 -0.22 0.00 -1.81 0.00 0.00 61.98 58.72 2c3m s VAL 681 Cb -0.10 -0.90 -0.07 0.00 0.56 0.00 0.00 36.38 35.87 2c3m s VAL 681 CO 0.06 -0.70 1.13 -2.16 -0.31 0.00 0.00 175.10 173.11 2c3m s PRO 682 N -2.59 3.72 -0.14 4.82 0.04 -1.26 -0.28 135.00 139.30 2c3m s PRO 682 Ca -0.04 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.67 2c3m s PRO 682 Cb -0.02 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.24 2c3m s PRO 682 CO -0.04 -0.56 -0.22 -1.14 0.04 0.00 0.00 177.00 175.08 2c3m s GLN 683 N -2.88 3.03 0.22 4.56 0.74 0.83 -4.86 119.66 121.31 2c3m s GLN 683 Ca 0.65 -0.85 -0.30 0.00 0.05 0.00 0.00 55.36 54.92 2c3m s GLN 683 Cb -0.25 -2.44 -0.08 0.00 1.10 0.00 0.00 33.01 31.33 2c3m s GLN 683 CO 0.30 -0.01 1.07 -0.46 -0.55 0.00 0.00 175.29 175.64 2c3m s TRP 684 N 0.80 3.67 -0.65 1.67 -0.00 -1.26 -1.76 118.94 121.41 2c3m s TRP 684 Ca -0.07 1.70 0.05 0.00 -0.00 0.00 0.00 56.10 57.77 2c3m s TRP 684 Cb -0.16 -3.22 0.16 0.00 -0.00 0.00 0.00 33.47 30.26 2c3m s TRP 684 CO -0.02 -0.36 0.44 0.08 -0.00 0.00 0.00 176.95 177.09 2c3m s VAL 685 N -0.68 2.62 0.44 5.86 1.01 0.90 -4.96 120.40 125.59 2c3m s VAL 685 Ca 0.46 -3.98 0.29 0.00 0.00 0.00 0.00 61.98 58.75 2c3m s VAL 685 Cb -0.29 -2.74 0.49 0.00 0.00 0.00 0.00 36.38 33.83 2c3m s VAL 685 CO 0.36 -0.99 1.67 1.55 0.00 0.00 0.00 175.10 177.69 2c3m h PRO 686 N 5.61 0.14 -0.05 2.72 0.13 -1.95 -1.21 132.00 137.38 2c3m h PRO 686 Ca 0.12 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.25 2c3m h PRO 686 Cb 0.79 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 2c3m h PRO 686 CO 0.68 0.09 0.06 0.93 -0.23 0.00 0.00 178.00 179.54 2c3m h GLU 687 N 0.14 0.00 0.00 0.86 3.07 -1.96 -2.49 114.58 114.20 2c3m h GLU 687 Ca 0.76 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.62 2c3m h GLU 687 Cb 2.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.30 2c3m h GLU 687 CO -0.34 0.00 -1.21 0.09 -1.40 0.00 0.00 179.01 176.15 2c3m n ASN 688 N -3.76 0.86 -4.74 1.42 5.03 -0.46 -5.01 115.26 108.59 2c3m n ASN 688 Ca -0.02 -0.55 -0.41 0.00 0.87 0.00 0.00 54.58 54.47 2c3m n ASN 688 Cb 0.15 1.32 -0.02 0.00 -1.02 0.00 0.00 39.78 40.21 2c3m n ASN 688 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2c3m n ILE 690 N 2.42 1.76 -3.88 0.00 -5.35 -1.26 -4.98 119.36 108.06 2c3m n ILE 690 Ca 0.07 -1.33 -0.24 0.00 -0.27 0.00 0.00 62.75 60.98 2c3m n ILE 690 Cb 0.40 0.12 -0.00 0.00 -1.74 0.00 0.00 39.64 38.41 2c3m n ILE 690 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2c3m n GLN 691 N 0.54 -3.83 0.02 6.28 6.02 -1.26 -4.91 117.38 120.23 2c3m n GLN 691 Ca 0.21 0.47 0.11 0.00 -0.01 0.00 0.00 57.00 57.78 2c3m n GLN 691 Cb 0.78 -4.76 0.01 0.00 1.02 0.00 0.00 30.24 27.29 2c3m n GLN 691 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c3m n ASN 693 N -1.82 -5.45 0.08 0.00 3.02 -1.26 -4.47 115.26 105.36 2c3m n ASN 693 Ca 0.02 0.24 -0.04 0.00 -0.03 0.00 0.00 54.58 54.78 2c3m n ASN 693 Cb 0.41 -3.80 0.17 0.00 -0.61 0.00 0.00 39.78 35.95 2c3m n ASN 693 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2c3m h GLN 694 N 0.05 0.27 -0.27 3.52 4.20 -1.93 -2.92 115.11 118.04 2c3m h GLN 694 Ca -0.20 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2c3m h GLN 694 Cb 1.06 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 2c3m h GLN 694 CO 0.29 0.71 0.15 0.00 -0.67 0.00 0.00 178.83 179.30 2c3m h ALA 696 N 1.02 1.32 -0.78 0.00 0.00 -1.85 -3.00 119.26 115.96 2c3m h ALA 696 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2c3m h ALA 696 Cb 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2c3m h ALA 696 CO -0.01 0.46 0.40 0.35 0.00 0.00 0.00 179.25 180.44 2c3m h PHE 697 N 0.28 1.11 -0.01 0.00 3.57 -1.26 -3.17 116.94 117.46 2c3m h PHE 697 Ca 0.05 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2c3m h PHE 697 Cb 0.54 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2c3m h PHE 697 CO 0.01 0.80 -0.32 1.33 -2.23 0.00 0.00 178.31 177.90 2c3m n VAL 698 N -4.39 0.00 -1.91 1.41 0.24 -0.96 -4.89 118.33 107.84 2c3m n VAL 698 Ca 0.07 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 2c3m n VAL 698 Cb 0.12 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 2c3m n VAL 698 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c3m n PRO 700 N 6.01 0.56 0.00 0.00 -0.02 -1.26 -3.50 135.00 136.79 2c3m n PRO 700 Ca 0.17 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2c3m n PRO 700 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2c3m n PRO 700 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2c3m n HIS 701 N -1.11 0.00 -2.85 6.00 8.25 -1.26 -4.62 115.22 119.63 2c3m n HIS 701 Ca 0.15 -0.09 -0.19 0.00 -0.26 0.00 0.00 57.72 57.32 2c3m n HIS 701 Cb 0.12 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.24 2c3m n HIS 701 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2c3m n SER 702 N -0.09 -5.53 -0.30 0.41 2.88 -1.23 -1.61 113.62 108.15 2c3m n SER 702 Ca 0.00 -0.22 0.13 0.00 -1.33 0.00 0.00 58.87 57.44 2c3m n SER 702 Cb 0.32 -4.39 0.58 0.00 -0.75 0.00 0.00 64.21 59.97 2c3m n SER 702 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c3m n ALA 703 N -3.16 2.59 -3.54 -1.46 0.00 -1.26 -4.74 120.51 108.94 2c3m n ALA 703 Ca -0.11 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.64 2c3m n ALA 703 Cb 0.61 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.66 2c3m n ALA 703 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2c3m s ILE 704 N -1.94 2.62 -0.30 0.00 1.01 -1.26 0.29 121.20 121.62 2c3m s ILE 704 Ca 0.37 -0.78 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 2c3m s ILE 704 Cb 0.19 -2.11 0.06 0.00 0.01 0.00 0.00 42.46 40.60 2c3m s ILE 704 CO 0.30 0.51 -0.01 -0.22 0.00 0.00 0.00 174.94 175.52 2c3m s LEU 705 N 0.92 3.94 0.18 2.97 2.96 0.24 -4.77 118.68 125.13 2c3m s LEU 705 Ca -0.03 -1.41 -0.30 0.00 -0.22 0.00 0.00 54.13 52.16 2c3m s LEU 705 Cb -0.15 -1.68 -0.08 0.00 0.50 0.00 0.00 46.19 44.78 2c3m s LEU 705 CO -0.02 -0.27 1.23 -2.84 -1.32 0.00 0.00 176.35 173.13 2c3m s PRO 706 N 1.19 4.46 -0.13 0.98 0.02 -1.26 -1.13 135.00 139.13 2c3m s PRO 706 Ca -0.04 1.92 0.01 0.00 0.02 0.00 0.00 61.00 62.91 2c3m s PRO 706 Cb -0.20 -3.23 -0.01 0.00 0.02 0.00 0.00 34.50 31.08 2c3m s PRO 706 CO -0.03 -0.15 -0.15 0.08 -0.33 0.00 0.00 177.00 176.42 2c3m s VAL 707 N 0.06 2.80 -0.26 3.83 1.01 0.28 -4.93 120.40 123.18 2c3m s VAL 707 Ca 0.54 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2c3m s VAL 707 Cb -0.34 -2.16 0.08 0.00 0.00 0.00 0.00 36.38 33.96 2c3m s VAL 707 CO 0.37 0.53 0.05 -0.22 0.00 0.00 0.00 175.10 175.82 2c3m s LEU 708 N 0.46 2.08 0.11 3.92 2.96 -1.26 -1.09 118.68 125.87 2c3m s LEU 708 Ca -0.11 -1.32 0.04 0.00 -0.22 0.00 0.00 54.13 52.51 2c3m s LEU 708 Cb -0.16 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 2c3m s LEU 708 CO 0.05 -0.35 -0.10 0.00 -1.32 0.00 0.00 176.35 174.64 2c3m s ALA 709 N 1.62 1.17 0.33 5.97 0.00 -0.45 -4.66 121.76 125.73 2c3m s ALA 709 Ca 0.04 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 2c3m s ALA 709 Cb -0.18 0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.90 2c3m s ALA 709 CO -0.16 -0.08 0.94 0.15 0.00 0.00 0.00 175.76 176.61 2c3m s LYS 710 N -3.17 4.56 0.58 0.00 1.02 -1.26 -0.04 119.74 121.43 2c3m s LYS 710 Ca 0.09 1.31 0.30 0.00 0.02 0.00 0.00 55.97 57.69 2c3m s LYS 710 Cb -0.00 -2.77 1.41 0.00 -0.52 0.00 0.00 37.83 35.94 2c3m s LYS 710 CO -0.01 0.27 1.79 1.05 -0.92 0.00 0.00 175.35 177.53 2c3m h GLU 711 N 3.12 0.00 0.00 1.68 4.11 -1.95 0.73 114.58 122.27 2c3m h GLU 711 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2c3m h GLU 711 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2c3m h GLU 711 CO 0.65 0.00 0.00 1.05 0.07 0.00 0.00 179.01 180.78 2c3m h GLU 712 N 0.00 0.00 -0.01 1.06 4.11 -1.97 -2.43 114.58 115.33 2c3m h GLU 712 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 2c3m h GLU 712 Cb 1.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.93 2c3m h GLU 712 CO -0.00 0.00 -0.33 0.39 0.07 0.00 0.00 179.01 179.14 2c3m n GLU 713 N -2.79 0.79 -0.62 1.06 1.02 0.25 -3.90 120.64 116.45 2c3m n GLU 713 Ca 0.01 -0.50 0.08 0.00 -0.02 0.00 0.00 57.16 56.73 2c3m n GLU 713 Cb 0.27 -1.49 0.33 0.00 -0.02 0.00 0.00 31.44 30.52 2c3m n GLU 713 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2c3m n LEU 714 N -0.67 4.68 0.12 -4.62 7.99 -0.92 -4.70 117.00 118.89 2c3m n LEU 714 Ca 0.11 -2.75 -0.06 0.00 -0.01 0.00 0.00 56.01 53.30 2c3m n LEU 714 Cb 0.36 -0.58 -0.03 0.00 -0.11 0.00 0.00 43.42 43.07 2c3m n LEU 714 CO 0.28 0.70 0.51 0.58 -1.51 0.00 0.00 177.39 177.95 2c3m h VAL 715 N 3.18 0.00 -0.07 4.08 2.07 -1.68 -2.80 116.25 121.03 2c3m h VAL 715 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2c3m h VAL 715 Cb 1.57 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2c3m h VAL 715 CO 0.30 0.00 0.02 0.61 0.02 0.00 0.00 177.57 178.52 2c3m n GLY 716 N -1.18 1.85 3.76 2.17 0.00 -1.26 -4.90 105.19 105.63 2c3m n GLY 716 Ca -0.04 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2c3m n GLY 716 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m s ALA 717 N -0.87 3.44 0.70 4.61 0.00 -1.06 -4.99 121.76 123.60 2c3m s ALA 717 Ca 0.05 1.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.86 2c3m s ALA 717 Cb 0.04 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2c3m s ALA 717 CO 0.01 -0.33 0.69 -2.30 0.00 0.00 0.00 175.76 173.83 2c3m n PRO 718 N 1.30 0.41 -0.24 0.00 -0.02 -1.26 -4.87 135.00 130.32 2c3m n PRO 718 Ca 0.00 0.18 0.12 0.00 -2.02 0.00 0.00 63.50 61.79 2c3m n PRO 718 Cb 0.44 -1.95 0.40 0.00 -0.02 0.00 0.00 33.50 32.37 2c3m n PRO 718 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c3m h ALA 719 N -0.23 1.89 -0.54 3.55 0.00 -1.99 -1.68 119.26 120.26 2c3m h ALA 719 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2c3m h ALA 719 Cb 1.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2c3m h ALA 719 CO 0.45 -0.11 0.00 0.27 0.00 0.00 0.00 179.25 179.85 2c3m n ASN 720 N -4.54 3.50 -3.33 0.00 2.04 -1.26 -4.65 115.26 107.02 2c3m n ASN 720 Ca 0.16 -2.19 -0.34 0.00 -0.44 0.00 0.00 54.58 51.77 2c3m n ASN 720 Cb 0.47 -0.45 -0.02 0.00 -2.53 0.00 0.00 39.78 37.24 2c3m n ASN 720 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2c3m n PHE 721 N 1.00 2.16 -1.70 -2.53 7.35 -0.63 -4.92 117.46 118.20 2c3m n PHE 721 Ca 0.20 -2.64 -0.44 0.00 -0.76 0.00 0.00 57.45 53.81 2c3m n PHE 721 Cb 0.62 -2.19 -0.03 0.00 0.35 0.00 0.00 39.48 38.22 2c3m n PHE 721 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2c3m n THR 722 N 4.08 0.12 -4.24 -2.13 -1.04 -1.26 -4.96 114.28 104.84 2c3m n THR 722 Ca 0.63 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 62.42 2c3m n THR 722 Cb 0.22 -1.88 -0.12 0.00 -1.82 0.00 0.00 70.33 66.73 2c3m n THR 722 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2c3m s ALA 723 N 1.61 1.38 0.30 2.41 0.00 -1.26 -4.75 121.76 121.45 2c3m s ALA 723 Ca 0.79 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.76 2c3m s ALA 723 Cb -0.56 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2c3m s ALA 723 CO 0.36 0.24 0.33 -0.51 0.00 0.00 0.00 175.76 176.18 2c3m s LEU 724 N -1.70 3.85 -0.19 0.00 1.43 0.23 -4.83 118.68 117.48 2c3m s LEU 724 Ca 0.01 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 2c3m s LEU 724 Cb -0.10 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 2c3m s LEU 724 CO 0.03 -0.26 1.09 -1.61 0.23 0.00 0.00 176.35 175.83 2c3m s GLU 725 N -4.00 4.28 0.13 1.70 2.02 -1.26 1.00 118.70 122.57 2c3m s GLU 725 Ca 0.39 1.45 -0.34 0.00 0.02 0.00 0.00 54.97 56.49 2c3m s GLU 725 Cb -0.08 -3.65 -0.14 0.00 0.10 0.00 0.00 34.13 30.36 2c3m s GLU 725 CO 0.28 -0.59 1.56 0.00 0.02 0.00 0.00 175.26 176.52 2c3m n ALA 726 N 6.14 0.96 -2.18 5.21 0.00 0.08 -4.78 120.51 125.94 2c3m n ALA 726 Ca 0.12 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.72 2c3m n ALA 726 Cb 0.46 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 2c3m n ALA 726 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2c3m s LYS 727 N 1.03 3.66 0.00 0.00 2.47 -1.26 -4.33 119.74 121.31 2c3m s LYS 727 Ca 0.81 0.40 0.00 0.00 -1.56 0.00 0.00 55.97 55.61 2c3m s LYS 727 Cb -0.73 -2.35 0.00 0.00 -1.46 0.00 0.00 37.83 33.30 2c3m s LYS 727 CO 0.40 -0.17 0.00 0.41 0.16 0.00 0.00 175.35 176.15 2c3m n GLY 728 N -1.86 1.77 0.30 5.54 0.00 -1.26 -4.47 105.19 105.21 2c3m n GLY 728 Ca 0.02 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2c3m n GLY 728 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c3m h LYS 729 N 0.00 0.85 0.00 1.61 1.57 -1.99 -1.62 116.57 116.99 2c3m h LYS 729 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2c3m h LYS 729 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2c3m h LYS 729 CO 0.00 0.56 0.00 0.39 -0.57 0.00 0.00 179.45 179.83 2c3m n GLU 730 N -4.68 0.11 -0.02 3.15 -0.58 -1.26 -3.15 120.64 114.21 2c3m n GLU 730 Ca 0.11 0.25 0.05 0.00 -0.42 0.00 0.00 57.16 57.15 2c3m n GLU 730 Cb 0.18 -1.68 0.05 0.00 -0.57 0.00 0.00 31.44 29.42 2c3m n GLU 730 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2c3m n LEU 731 N -1.89 1.90 0.00 -4.62 4.77 -0.69 -4.92 117.00 111.55 2c3m n LEU 731 Ca 0.04 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 2c3m n LEU 731 Cb 0.27 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2c3m n LEU 731 CO 0.21 0.39 0.02 0.29 -1.33 0.00 0.00 177.39 176.98 2c3m n LYS 732 N 0.49 0.00 0.00 3.23 5.02 -0.70 -0.76 118.16 125.44 2c3m n LYS 732 Ca 0.06 0.05 0.02 0.00 -2.02 0.00 0.00 58.31 56.42 2c3m n LYS 732 Cb 0.25 -0.09 0.13 0.00 -0.02 0.00 0.00 35.03 35.30 2c3m n LYS 732 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3m n GLY 733 N -0.54 -0.25 3.92 0.72 0.00 -1.26 -4.37 105.19 103.41 2c3m n GLY 733 Ca 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 2c3m n GLY 733 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2c3m s TYR 734 N -2.22 3.19 -0.06 1.61 1.51 0.06 -4.55 117.35 116.89 2c3m s TYR 734 Ca 0.06 0.60 0.02 0.00 -1.01 0.00 0.00 57.07 56.74 2c3m s TYR 734 Cb 0.03 -2.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 2c3m s TYR 734 CO 0.06 -0.93 -0.09 0.15 -1.11 0.00 0.00 175.55 173.63 2c3m s LYS 735 N -5.04 2.67 -0.04 -0.62 -0.14 0.94 -0.74 119.74 116.77 2c3m s LYS 735 Ca 0.55 -0.60 0.07 0.00 -1.36 0.00 0.00 55.97 54.63 2c3m s LYS 735 Cb -0.11 -2.53 -0.01 0.00 -1.68 0.00 0.00 37.83 33.50 2c3m s LYS 735 CO 0.45 0.65 -0.25 0.12 -0.76 0.00 0.00 175.35 175.56 2c3m s PHE 736 N -0.80 2.39 -0.15 3.18 5.36 0.28 -1.34 117.98 126.90 2c3m s PHE 736 Ca 0.12 -0.60 -0.13 0.00 -0.96 0.00 0.00 56.93 55.37 2c3m s PHE 736 Cb -0.11 -1.55 0.04 0.00 -0.34 0.00 0.00 43.02 41.06 2c3m s PHE 736 CO 0.01 -0.14 0.38 0.50 -1.46 0.00 0.00 175.22 174.52 2c3m s ARG 737 N -0.37 0.44 -0.42 10.12 3.52 -0.25 0.78 118.95 132.78 2c3m s ARG 737 Ca 0.03 0.55 -0.15 0.00 -0.13 0.00 0.00 55.73 56.03 2c3m s ARG 737 Cb -0.12 0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.50 2c3m s ARG 737 CO 0.02 -0.06 0.31 0.42 -0.81 0.00 0.00 175.30 175.18 2c3m s ILE 738 N 0.29 5.24 -0.27 4.11 -1.09 -1.26 0.99 121.20 129.21 2c3m s ILE 738 Ca -0.01 -0.72 -0.12 0.00 -2.23 0.00 0.00 60.65 57.57 2c3m s ILE 738 Cb -0.03 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 2c3m s ILE 738 CO -0.00 -0.35 0.23 -1.58 -1.23 0.00 0.00 174.94 172.01 2c3m s GLN 739 N 1.67 4.00 -0.02 2.79 2.00 -0.28 -4.86 119.66 124.96 2c3m s GLN 739 Ca 0.05 -0.22 -0.24 0.00 -2.00 0.00 0.00 55.36 52.96 2c3m s GLN 739 Cb -0.20 -3.63 -0.05 0.00 0.80 0.00 0.00 33.01 29.94 2c3m s GLN 739 CO 0.09 -0.14 0.72 0.42 -0.50 0.00 0.00 175.29 175.88 2c3m s ILE 740 N 1.66 4.91 -0.85 -2.34 -1.09 -1.26 -0.59 121.20 121.64 2c3m s ILE 740 Ca 0.09 1.50 -0.16 0.00 -2.23 0.00 0.00 60.65 59.86 2c3m s ILE 740 Cb -0.15 -4.06 0.19 0.00 -1.58 0.00 0.00 42.46 36.86 2c3m s ILE 740 CO 0.09 0.31 0.87 0.21 -1.23 0.00 0.00 174.94 175.20 2c3m s ASN 741 N 0.36 6.70 0.53 3.58 3.84 0.14 -4.70 114.94 125.39 2c3m s ASN 741 Ca 0.37 -2.46 0.28 0.00 0.21 0.00 0.00 52.86 51.26 2c3m s ASN 741 Cb -0.19 -2.27 1.47 0.00 -0.55 0.00 0.00 41.25 39.72 2c3m s ASN 741 CO 0.20 -0.74 2.08 0.71 -2.79 0.00 0.00 177.10 176.57 2c3m h THR 742 N 5.14 0.56 0.00 -5.21 1.35 -1.88 -1.43 112.91 111.43 2c3m h THR 742 Ca 0.11 -0.49 -0.13 0.00 -0.55 0.00 0.00 66.41 65.35 2c3m h THR 742 Cb 1.04 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 2c3m h THR 742 CO 0.87 0.11 -0.97 -0.07 -0.25 0.00 0.00 175.52 175.21 2c3m h LEU 743 N 0.00 0.00 0.00 3.87 3.38 -1.93 -3.31 115.31 117.32 2c3m h LEU 743 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2c3m h LEU 743 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2c3m h LEU 743 CO 0.01 0.50 -1.00 0.47 0.09 0.00 0.00 178.44 178.52 2c3m n ASP 744 N -3.03 0.77 -4.76 -0.43 8.00 -1.12 -0.18 116.55 115.80 2c3m n ASP 744 Ca -0.04 -0.67 -0.38 0.00 0.71 0.00 0.00 54.79 54.42 2c3m n ASP 744 Cb 0.77 0.92 0.02 0.00 -0.02 0.00 0.00 41.12 42.81 2c3m n ASP 744 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c3m n MET 746 N -0.75 1.35 -1.05 0.00 2.81 -1.26 -4.04 117.12 114.18 2c3m n MET 746 Ca 0.09 -1.09 -0.02 0.00 -1.81 0.00 0.00 57.70 54.87 2c3m n MET 746 Cb 0.46 -1.24 -0.01 0.00 -0.71 0.00 0.00 33.22 31.72 2c3m n MET 746 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c3m n GLY 747 N 0.90 0.53 0.31 3.03 0.00 -1.25 -4.57 105.19 104.14 2c3m n GLY 747 Ca 0.07 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.48 2c3m n GLY 747 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m n GLY 749 N -0.90 0.76 0.29 0.00 0.00 -1.26 -3.40 105.19 100.67 2c3m n GLY 749 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 2c3m n GLY 749 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2c3m h ASN 750 N 0.00 0.78 0.17 1.61 4.21 -1.87 -1.73 115.58 118.76 2c3m h ASN 750 Ca 0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2c3m h ASN 750 Cb 0.00 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 2c3m h ASN 750 CO 0.00 0.55 -0.17 0.00 -1.29 0.00 0.00 177.43 176.52 2c3m h ALA 752 N 0.42 1.52 0.00 0.00 0.00 -1.82 -0.48 119.26 118.89 2c3m h ALA 752 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2c3m h ALA 752 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2c3m h ALA 752 CO -0.04 0.35 -0.44 0.22 0.00 0.00 0.00 179.25 179.34 2c3m h ASP 753 N 0.23 0.00 0.49 0.00 3.58 -0.91 -3.23 116.42 116.58 2c3m h ASP 753 Ca 0.05 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.41 2c3m h ASP 753 Cb 0.36 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2c3m h ASP 753 CO 0.02 0.44 -1.59 -0.38 -2.88 0.00 0.00 179.24 174.85 2c3m n ILE 754 N -3.83 0.69 -1.44 2.25 -0.00 -0.56 -4.93 119.36 111.54 2c3m n ILE 754 Ca -0.01 -0.61 -0.56 0.00 -0.00 0.00 0.00 62.75 61.56 2c3m n ILE 754 Cb 0.49 -0.37 -0.09 0.00 -0.00 0.00 0.00 39.64 39.67 2c3m n ILE 754 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2c3m h PRO 756 N 9.88 -0.19 -6.71 0.00 0.11 -1.91 -3.45 132.00 129.73 2c3m h PRO 756 Ca -0.26 0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.30 2c3m h PRO 756 Cb 1.36 0.04 0.09 0.00 0.11 0.00 0.00 31.00 32.61 2c3m h PRO 756 CO 1.03 -0.13 0.64 -0.35 -0.21 0.00 0.00 178.00 178.98 2c3m n PRO 757 N -5.41 2.24 -0.20 1.05 -0.04 -1.26 -4.90 135.00 126.48 2c3m n PRO 757 Ca 0.03 0.79 -0.02 0.00 -0.04 0.00 0.00 63.50 64.26 2c3m n PRO 757 Cb 0.35 -2.45 0.08 0.00 -0.04 0.00 0.00 33.50 31.44 2c3m n PRO 757 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2c3m h LYS 758 N 3.63 0.52 -5.32 0.54 1.57 -1.96 -2.95 116.57 112.60 2c3m h LYS 758 Ca -0.46 -0.03 -0.67 0.00 -1.87 0.00 0.00 60.65 57.62 2c3m h LYS 758 Cb 1.27 -0.12 -0.15 0.00 0.08 0.00 0.00 32.23 33.31 2c3m h LYS 758 CO 0.71 0.34 1.11 -1.21 -0.57 0.00 0.00 179.45 179.83 2c3m s GLU 759 N -6.11 3.65 0.29 3.15 0.41 -1.26 -4.98 118.70 113.86 2c3m s GLU 759 Ca -0.13 -1.67 -0.26 0.00 -0.41 0.00 0.00 54.97 52.50 2c3m s GLU 759 Cb 0.15 -5.07 -0.15 0.00 -1.78 0.00 0.00 34.13 27.28 2c3m s GLU 759 CO 0.75 -1.91 0.62 1.63 -0.49 0.00 0.00 175.26 175.86 2c3m n LYS 760 N 7.17 0.50 -0.02 1.61 4.76 -1.12 -4.75 118.16 126.30 2c3m n LYS 760 Ca 0.28 0.18 0.12 0.00 -2.87 0.00 0.00 58.31 56.02 2c3m n LYS 760 Cb 0.49 -1.34 0.17 0.00 -1.84 0.00 0.00 35.03 32.51 2c3m n LYS 760 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2c3m n ALA 761 N -0.21 2.47 -3.71 7.82 0.00 -1.26 -4.79 120.51 120.82 2c3m n ALA 761 Ca 0.14 -0.68 -0.18 0.00 0.00 0.00 0.00 53.44 52.72 2c3m n ALA 761 Cb 0.31 -0.86 -0.17 0.00 0.00 0.00 0.00 19.45 18.73 2c3m n ALA 761 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c3m s LEU 762 N -1.95 0.50 -0.06 0.00 1.43 -1.26 -0.07 118.68 117.28 2c3m s LEU 762 Ca 0.30 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2c3m s LEU 762 Cb 0.20 -0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.38 2c3m s LEU 762 CO 0.31 -0.20 -0.10 -0.69 0.23 0.00 0.00 176.35 175.90 2c3m s VAL 763 N 1.72 0.95 0.15 -1.59 1.01 -0.72 -4.73 120.40 117.19 2c3m s VAL 763 Ca -0.01 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 2c3m s VAL 763 Cb -0.12 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.28 2c3m s VAL 763 CO -0.03 0.32 1.33 -0.04 0.00 0.00 0.00 175.10 176.67 2c3m s MET 764 N 0.76 4.37 0.04 2.72 -1.94 -1.26 -0.12 119.30 123.87 2c3m s MET 764 Ca -0.13 2.03 0.00 0.00 -1.71 0.00 0.00 55.69 55.88 2c3m s MET 764 Cb -0.15 -3.23 -0.03 0.00 2.01 0.00 0.00 34.83 33.43 2c3m s MET 764 CO 0.02 -0.33 -0.04 -0.65 -0.01 0.00 0.00 175.02 174.02 2c3m s GLN 765 N 0.50 0.47 0.39 2.03 -1.52 0.61 -4.90 119.66 117.24 2c3m s GLN 765 Ca 0.60 -0.88 -0.27 0.00 -1.95 0.00 0.00 55.36 52.86 2c3m s GLN 765 Cb -0.36 0.06 -0.11 0.00 -0.22 0.00 0.00 33.01 32.39 2c3m s GLN 765 CO 0.34 -0.05 1.33 -2.30 -0.25 0.00 0.00 175.29 174.36 2c3m n PRO 766 N 0.98 2.17 -0.26 2.91 -0.02 -1.26 -0.25 135.00 139.27 2c3m n PRO 766 Ca -0.20 0.76 0.02 0.00 -2.02 0.00 0.00 63.50 62.07 2c3m n PRO 766 Cb 0.57 -2.44 0.15 0.00 -0.02 0.00 0.00 33.50 31.77 2c3m n PRO 766 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2c3m h LEU 767 N 2.43 0.50 -2.47 2.45 5.85 -1.47 -1.71 115.31 120.89 2c3m h LEU 767 Ca -0.48 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2c3m h LEU 767 Cb 1.28 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2c3m h LEU 767 CO 0.62 0.28 0.00 0.44 -0.34 0.00 0.00 178.44 179.44 2c3m h ASP 768 N 0.64 0.00 0.44 1.25 3.32 -1.90 0.04 116.42 120.21 2c3m h ASP 768 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2c3m h ASP 768 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2c3m h ASP 768 CO -0.28 0.00 -0.53 0.35 -1.72 0.00 0.00 179.24 177.07 2c3m n THR 769 N -2.82 0.00 -0.03 0.35 -2.24 -0.64 -4.43 114.28 104.46 2c3m n THR 769 Ca -0.02 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.71 2c3m n THR 769 Cb 0.07 0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.58 2c3m n THR 769 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c3m n GLN 770 N -1.43 2.03 -0.22 -0.78 1.13 -0.12 -4.81 117.38 113.17 2c3m n GLN 770 Ca 0.06 0.01 -0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2c3m n GLN 770 Cb 0.34 -1.16 0.11 0.00 0.11 0.00 0.00 30.24 29.63 2c3m n GLN 770 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2c3m h ARG 771 N 0.00 0.55 -0.90 -1.09 0.11 -1.44 -1.00 114.38 110.61 2c3m h ARG 771 Ca -0.18 -0.03 0.10 0.00 0.10 0.00 0.00 59.98 59.97 2c3m h ARG 771 Cb 1.35 -0.12 -0.08 0.00 1.11 0.00 0.00 29.97 32.23 2c3m h ARG 771 CO -0.00 0.36 0.54 -0.44 0.10 0.00 0.00 179.97 180.53 2c3m h ASP 772 N 0.57 0.78 0.09 0.08 3.32 -1.86 0.01 116.42 119.41 2c3m h ASP 772 Ca 0.31 0.05 -0.20 0.00 0.02 0.00 0.00 57.03 57.21 2c3m h ASP 772 Cb 0.29 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2c3m h ASP 772 CO -0.24 0.44 -0.99 0.00 -1.72 0.00 0.00 179.24 176.73 2c3m h ALA 773 N 1.48 0.09 0.00 3.45 0.00 -1.85 -3.40 119.26 119.03 2c3m h ALA 773 Ca 0.43 -0.90 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2c3m h ALA 773 Cb 0.39 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2c3m h ALA 773 CO -0.25 0.55 -0.53 1.96 0.00 0.00 0.00 179.25 180.98 2c3m h GLN 774 N -0.54 0.00 0.27 0.00 1.08 -1.09 -3.17 115.11 111.67 2c3m h GLN 774 Ca -0.22 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 2c3m h GLN 774 Cb 1.54 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.97 2c3m h GLN 774 CO 0.04 0.53 -0.15 0.28 -0.95 0.00 0.00 178.83 178.58 2c3m h VAL 775 N 0.00 0.69 0.00 -0.54 2.07 -1.20 0.16 116.25 117.43 2c3m h VAL 775 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2c3m h VAL 775 Cb 1.25 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2c3m h VAL 775 CO 0.07 0.00 -0.19 1.55 0.02 0.00 0.00 177.57 179.02 2c3m h PRO 776 N -0.40 0.00 -0.29 1.57 0.13 -1.78 -2.33 132.00 128.90 2c3m h PRO 776 Ca -0.03 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.92 2c3m h PRO 776 Cb 0.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 2c3m h PRO 776 CO 0.04 0.19 -0.53 -0.91 -0.23 0.00 0.00 178.00 176.56 2c3m h ASN 777 N 0.00 0.95 -0.36 1.44 -0.26 -1.38 -2.33 115.58 113.65 2c3m h ASN 777 Ca -0.00 -0.50 -0.02 0.00 -0.56 0.00 0.00 56.30 55.21 2c3m h ASN 777 Cb 0.48 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.46 2c3m h ASN 777 CO 0.02 1.30 0.14 0.25 -1.06 0.00 0.00 177.43 178.08 2c3m h LEU 778 N 0.66 0.50 -0.25 1.61 7.12 -0.34 0.16 115.31 124.76 2c3m h LEU 778 Ca 0.02 -0.17 0.06 0.00 0.13 0.00 0.00 57.88 57.92 2c3m h LEU 778 Cb 1.14 -0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 41.08 2c3m h LEU 778 CO 0.12 0.53 -0.15 -0.33 -0.13 0.00 0.00 178.44 178.48 2c3m h GLU 779 N 0.43 -0.12 -0.06 1.25 4.39 -1.36 0.21 114.58 119.31 2c3m h GLU 779 Ca 0.12 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2c3m h GLU 779 Cb 0.19 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2c3m h GLU 779 CO -0.01 -0.08 0.03 -0.92 -1.16 0.00 0.00 179.01 176.88 2c3m h TYR 780 N -0.12 0.09 -0.95 4.33 3.20 -1.21 -3.05 116.97 119.27 2c3m h TYR 780 Ca 0.14 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2c3m h TYR 780 Cb 0.33 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 2c3m h TYR 780 CO -0.32 0.15 0.60 0.00 -1.64 0.00 0.00 178.16 176.94 2c3m h ALA 781 N 0.94 1.27 0.00 1.82 0.00 -0.53 -2.10 119.26 120.65 2c3m h ALA 781 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2c3m h ALA 781 Cb 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2c3m h ALA 781 CO -0.00 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.90 2c3m n ALA 782 N -2.39 1.15 0.86 0.00 0.00 0.69 -1.29 120.51 119.52 2c3m n ALA 782 Ca 0.11 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.69 2c3m n ALA 782 Cb 0.04 -1.13 0.07 0.00 0.00 0.00 0.00 19.45 18.43 2c3m n ALA 782 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2c3m n ARG 783 N -1.72 1.80 -3.01 0.00 1.74 -0.79 -4.92 116.66 109.77 2c3m n ARG 783 Ca 0.00 -1.61 -0.40 0.00 -0.77 0.00 0.00 57.85 55.08 2c3m n ARG 783 Cb 0.05 -1.39 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 2c3m n ARG 783 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2c3m s ILE 784 N -1.79 5.02 0.11 0.55 1.01 -0.41 -4.99 121.20 120.69 2c3m s ILE 784 Ca 0.23 1.50 -0.36 0.00 0.00 0.00 0.00 60.65 62.02 2c3m s ILE 784 Cb 0.17 -4.07 -0.16 0.00 0.01 0.00 0.00 42.46 38.42 2c3m s ILE 784 CO 0.29 0.22 1.44 -2.65 0.00 0.00 0.00 174.94 174.24 2c3m n PRO 785 N 3.95 1.53 -2.34 2.79 -0.02 -1.26 -4.89 135.00 134.76 2c3m n PRO 785 Ca -0.00 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2c3m n PRO 785 Cb 0.51 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2c3m n PRO 785 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c3m s VAL 786 N 0.69 4.00 -1.30 -1.45 1.01 -1.26 -4.85 120.40 117.24 2c3m s VAL 786 Ca 0.82 1.33 -0.14 0.00 0.00 0.00 0.00 61.98 64.00 2c3m s VAL 786 Cb -0.85 -3.86 0.11 0.00 0.00 0.00 0.00 36.38 31.78 2c3m s VAL 786 CO 0.44 -0.02 1.78 0.29 0.00 0.00 0.00 175.10 177.59 2c3m n LYS 787 N 5.53 3.26 0.00 2.72 4.76 -1.26 -4.77 118.16 128.41 2c3m n LYS 787 Ca 0.12 -3.36 0.15 0.00 -2.87 0.00 0.00 58.31 52.36 2c3m n LYS 787 Cb 0.45 -3.21 0.86 0.00 -1.84 0.00 0.00 35.03 31.29 2c3m n LYS 787 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2c3m n SER 788 N 6.22 0.04 -0.37 4.39 3.41 -1.09 -3.71 113.62 122.51 2c3m n SER 788 Ca 0.44 -0.68 0.06 0.00 -0.26 0.00 0.00 58.87 58.44 2c3m n SER 788 Cb 0.42 -0.11 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2c3m n SER 788 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2c3m n GLU 789 N -1.09 1.47 0.07 4.33 -0.58 -1.26 -4.63 120.64 118.96 2c3m n GLU 789 Ca 0.20 -0.91 -0.16 0.00 -0.42 0.00 0.00 57.16 55.87 2c3m n GLU 789 Cb 0.17 -1.19 -0.08 0.00 -0.57 0.00 0.00 31.44 29.77 2c3m n GLU 789 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2c3m h VAL 790 N 1.82 1.37 -2.82 2.62 2.07 -1.95 -3.47 116.25 115.88 2c3m h VAL 790 Ca 0.00 -2.48 -0.46 0.00 0.82 0.00 0.00 66.70 64.57 2c3m h VAL 790 Cb 0.46 2.51 -0.14 0.00 -1.52 0.00 0.00 31.29 32.60 2c3m h VAL 790 CO 0.00 0.75 -0.68 -0.76 0.02 0.00 0.00 177.57 176.90 2c3m s LEU 791 N -7.75 2.44 0.28 2.57 1.43 -1.26 -4.98 118.68 111.40 2c3m s LEU 791 Ca -0.07 -1.17 -0.30 0.00 -1.03 0.00 0.00 54.13 51.57 2c3m s LEU 791 Cb 0.08 -0.57 -0.13 0.00 0.03 0.00 0.00 46.19 45.60 2c3m s LEU 791 CO 0.89 -0.35 1.32 -2.65 0.23 0.00 0.00 176.35 175.79 2c3m n PRO 792 N -0.51 1.97 0.01 1.29 -0.02 -1.26 -4.88 135.00 131.59 2c3m n PRO 792 Ca -0.06 0.70 -0.01 0.00 -2.02 0.00 0.00 63.50 62.11 2c3m n PRO 792 Cb 0.63 -2.29 0.27 0.00 -0.02 0.00 0.00 33.50 32.09 2c3m n PRO 792 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2c3m h ARG 793 N 3.41 0.50 -0.67 -0.52 2.43 -1.87 -2.92 114.38 114.73 2c3m h ARG 793 Ca -0.45 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 58.55 2c3m h ARG 793 Cb 1.29 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 2c3m h ARG 793 CO 0.70 0.59 0.06 -0.40 -1.51 0.00 0.00 179.97 179.40 2c3m n ASP 794 N -4.23 5.02 -4.92 -3.80 3.85 -1.26 -3.40 116.55 107.81 2c3m n ASP 794 Ca 0.01 -2.88 -0.28 0.00 -0.71 0.00 0.00 54.79 50.93 2c3m n ASP 794 Cb 0.30 -0.68 -0.03 0.00 -1.35 0.00 0.00 41.12 39.35 2c3m n ASP 794 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2c3m s SER 795 N -0.71 6.39 0.05 -1.12 1.04 -1.10 -4.80 113.70 113.44 2c3m s SER 795 Ca 0.48 0.39 -0.15 0.00 0.48 0.00 0.00 55.95 57.16 2c3m s SER 795 Cb 0.37 -2.01 -0.06 0.00 0.10 0.00 0.00 66.02 64.43 2c3m s SER 795 CO 0.14 -0.00 1.23 0.25 0.98 0.00 0.00 173.24 175.83 2c3m h LEU 796 N 2.21 -0.72 -0.55 2.42 6.46 -1.91 0.55 115.31 123.77 2c3m h LEU 796 Ca -0.47 0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.33 2c3m h LEU 796 Cb 1.19 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.37 2c3m h LEU 796 CO 0.69 -0.21 0.19 0.50 -0.62 0.00 0.00 178.44 178.99 2c3m h LYS 797 N -0.27 0.83 -0.76 1.25 3.64 -1.92 -3.11 116.57 116.24 2c3m h LYS 797 Ca 0.01 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2c3m h LYS 797 Cb 0.30 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 2c3m h LYS 797 CO -0.17 0.74 0.50 0.78 -2.27 0.00 0.00 179.45 179.04 2c3m h GLY 798 N 0.75 1.07 1.10 5.01 0.00 -1.65 -2.49 103.07 106.86 2c3m h GLY 798 Ca 0.18 -0.40 0.13 0.00 0.00 0.00 0.00 47.33 47.24 2c3m h GLY 798 CO -0.01 0.38 0.32 1.48 0.00 0.00 0.00 176.54 178.72 2c3m h SER 799 N 1.02 0.02 -0.04 0.19 4.64 0.18 0.68 113.55 120.24 2c3m h SER 799 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2c3m h SER 799 Cb -0.11 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2c3m h SER 799 CO -0.06 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 2c3m n GLN 800 N -4.41 1.28 -0.58 4.77 1.13 -0.94 -2.56 117.38 116.08 2c3m n GLN 800 Ca 0.08 -0.42 0.08 0.00 -1.94 0.00 0.00 57.00 54.80 2c3m n GLN 800 Cb 0.52 -1.40 0.31 0.00 0.11 0.00 0.00 30.24 29.78 2c3m n GLN 800 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2c3m n PHE 801 N -0.41 1.30 -4.24 1.08 0.99 0.23 -4.60 117.46 111.80 2c3m n PHE 801 Ca 0.18 -0.77 -0.23 0.00 -0.00 0.00 0.00 57.45 56.63 2c3m n PHE 801 Cb 0.19 -0.34 -0.06 0.00 -1.00 0.00 0.00 39.48 38.26 2c3m n PHE 801 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2c3m s GLN 802 N -2.54 2.47 -0.25 -1.08 -1.52 -1.06 -2.67 119.66 113.02 2c3m s GLN 802 Ca 0.45 -1.31 -0.29 0.00 -1.95 0.00 0.00 55.36 52.27 2c3m s GLN 802 Cb 0.34 -2.28 0.00 0.00 -0.22 0.00 0.00 33.01 30.86 2c3m s GLN 802 CO 0.13 0.38 1.15 -1.21 -0.25 0.00 0.00 175.29 175.49 2c3m s GLU 803 N -3.70 4.14 0.03 2.91 2.02 -1.26 -5.00 118.70 117.84 2c3m s GLU 803 Ca 0.32 1.33 -0.30 0.00 0.02 0.00 0.00 54.97 56.34 2c3m s GLU 803 Cb -0.07 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 2c3m s GLU 803 CO 0.21 -0.81 1.10 -1.25 0.02 0.00 0.00 175.26 174.53 2c3m s PRO 804 N 3.56 4.49 -0.36 0.39 0.04 -1.26 -4.39 135.00 137.46 2c3m s PRO 804 Ca 0.49 1.60 0.07 0.00 0.04 0.00 0.00 61.00 63.20 2c3m s PRO 804 Cb -0.16 -3.41 0.60 0.00 0.04 0.00 0.00 34.50 31.57 2c3m s PRO 804 CO 0.13 -0.17 1.70 1.28 0.04 0.00 0.00 177.00 179.98 2c3m n LEU 805 N 3.98 5.46 -3.24 -3.56 4.77 -1.26 -4.75 117.00 118.40 2c3m n LEU 805 Ca 0.08 -3.62 -0.02 0.00 -0.03 0.00 0.00 56.01 52.41 2c3m n LEU 805 Cb 0.48 -0.73 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2c3m n LEU 805 CO 0.54 1.10 0.03 -0.32 -1.33 0.00 0.00 177.39 177.41 2c3m s MET 806 N -3.23 0.48 0.05 3.23 1.75 -1.26 -1.50 119.30 118.82 2c3m s MET 806 Ca 0.51 0.54 0.01 0.00 -1.25 0.00 0.00 55.69 55.50 2c3m s MET 806 Cb 0.44 0.02 -0.03 0.00 2.84 0.00 0.00 34.83 38.10 2c3m s MET 806 CO 0.06 -0.85 -0.06 -1.21 -0.65 0.00 0.00 175.02 172.31 2c3m s GLU 807 N 2.70 0.56 -1.36 4.11 2.02 -0.65 -4.72 118.70 121.36 2c3m s GLU 807 Ca 0.13 -0.90 -0.00 0.00 0.02 0.00 0.00 54.97 54.21 2c3m s GLU 807 Cb -0.13 -0.14 0.00 0.00 0.10 0.00 0.00 34.13 33.97 2c3m s GLU 807 CO -0.24 -0.00 0.58 1.19 0.02 0.00 0.00 175.26 176.81 2c3m n PHE 808 N 1.01 -1.80 -1.89 1.61 0.99 -0.63 -4.47 117.46 112.28 2c3m n PHE 808 Ca -0.20 0.80 -0.29 0.00 -0.00 0.00 0.00 57.45 57.76 2c3m n PHE 808 Cb 0.57 -4.08 0.15 0.00 -1.00 0.00 0.00 39.48 35.11 2c3m n PHE 808 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2c3m s SER 809 N -4.34 3.66 -0.05 4.37 1.04 -1.26 -4.81 113.70 112.31 2c3m s SER 809 Ca 0.02 0.51 0.07 0.00 0.48 0.00 0.00 55.95 57.03 2c3m s SER 809 Cb -0.01 -0.75 0.29 0.00 0.10 0.00 0.00 66.02 65.65 2c3m s SER 809 CO 0.85 -2.41 1.08 0.61 0.98 0.00 0.00 173.24 174.35 2c3m n GLY 810 N -3.49 1.35 3.73 7.32 0.00 -1.25 -4.93 105.19 107.92 2c3m n GLY 810 Ca 0.12 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2c3m n GLY 810 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m s ALA 811 N -1.65 2.06 0.85 4.61 0.00 -1.26 -2.01 121.76 124.35 2c3m s ALA 811 Ca 0.20 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 2c3m s ALA 811 Cb 0.14 -3.38 0.11 0.00 0.00 0.00 0.00 23.12 19.99 2c3m s ALA 811 CO 0.09 -1.95 1.18 0.00 0.00 0.00 0.00 175.76 175.07 2c3m s SER 813 N -2.40 6.60 0.00 0.00 0.15 -1.26 -1.75 113.70 115.03 2c3m s SER 813 Ca 0.70 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.82 2c3m s SER 813 Cb -0.26 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 2c3m s SER 813 CO 0.53 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2c3m n GLY 814 N 4.06 0.75 3.50 9.45 0.00 -1.26 -4.84 105.19 116.84 2c3m n GLY 814 Ca 0.16 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.66 2c3m n GLY 814 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m n GLY 816 N 1.83 -1.18 0.13 0.00 0.00 -0.69 -4.15 105.19 101.12 2c3m n GLY 816 Ca 0.17 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2c3m n GLY 816 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c3m h GLU 817 N 0.27 0.20 -0.02 1.61 5.08 -1.90 -3.39 114.58 116.43 2c3m h GLU 817 Ca 0.00 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 2c3m h GLU 817 Cb 0.43 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2c3m h GLU 817 CO 0.00 1.16 -0.15 1.79 -1.00 0.00 0.00 179.01 180.81 2c3m h THR 818 N -0.33 1.12 -0.75 1.13 1.35 -1.85 -2.93 112.91 110.65 2c3m h THR 818 Ca -0.35 -0.58 -0.03 0.00 -0.55 0.00 0.00 66.41 64.90 2c3m h THR 818 Cb 1.75 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 69.42 2c3m h THR 818 CO 0.01 0.17 0.36 -0.65 -0.25 0.00 0.00 175.52 175.16 2c3m h PRO 819 N 0.03 1.08 -0.00 4.72 0.11 -1.77 -1.70 132.00 134.47 2c3m h PRO 819 Ca 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2c3m h PRO 819 Cb 0.29 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 2c3m h PRO 819 CO 0.02 0.85 -0.01 1.88 -0.21 0.00 0.00 178.00 180.52 2c3m h TYR 820 N 1.06 -0.04 -0.60 0.65 -1.99 -1.77 -2.72 116.97 111.56 2c3m h TYR 820 Ca 0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.99 2c3m h TYR 820 Cb 0.12 0.02 -0.03 0.00 2.00 0.00 0.00 36.73 38.84 2c3m h TYR 820 CO 0.01 -0.02 0.38 0.28 -0.00 0.00 0.00 178.16 178.81 2c3m h VAL 821 N -0.03 1.16 -0.28 -2.88 2.07 -1.45 -1.82 116.25 113.02 2c3m h VAL 821 Ca 0.01 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.25 2c3m h VAL 821 Cb 0.04 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 2c3m h VAL 821 CO -0.02 0.16 0.05 -0.09 0.02 0.00 0.00 177.57 177.69 2c3m h ARG 822 N 0.81 0.14 -0.42 1.57 2.43 -1.20 -1.88 114.38 115.83 2c3m h ARG 822 Ca 0.22 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2c3m h ARG 822 Cb -0.07 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2c3m h ARG 822 CO -0.04 0.09 -0.02 -0.24 -1.51 0.00 0.00 179.97 178.25 2c3m h VAL 823 N 0.15 1.23 -0.95 0.20 3.04 -1.24 -2.19 116.25 116.49 2c3m h VAL 823 Ca 0.13 -0.96 0.02 0.00 -1.01 0.00 0.00 66.70 64.88 2c3m h VAL 823 Cb 0.14 0.94 -0.05 0.00 -2.01 0.00 0.00 31.29 30.31 2c3m h VAL 823 CO -0.18 0.33 0.62 0.40 -1.01 0.00 0.00 177.57 177.73 2c3m h ILE 824 N 0.64 1.20 0.00 3.17 2.04 -0.68 -1.08 117.51 122.80 2c3m h ILE 824 Ca 0.13 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 2c3m h ILE 824 Cb 0.43 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2c3m h ILE 824 CO 0.02 0.23 -0.21 0.71 0.00 0.00 0.00 178.15 178.89 2c3m h THR 825 N 1.24 0.64 0.00 -0.27 1.35 -0.76 -1.04 112.91 114.06 2c3m h THR 825 Ca 0.36 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2c3m h THR 825 Cb -0.07 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2c3m h THR 825 CO -0.10 0.21 0.00 0.00 -0.25 0.00 0.00 175.52 175.38 2c3m n GLN 826 N -3.55 0.19 -0.08 4.72 6.02 -0.43 -0.43 117.38 123.82 2c3m n GLN 826 Ca -0.01 0.27 -0.09 0.00 -0.01 0.00 0.00 57.00 57.16 2c3m n GLN 826 Cb 0.36 -1.77 -0.11 0.00 1.02 0.00 0.00 30.24 29.74 2c3m n GLN 826 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2c3m n LEU 827 N -2.12 0.88 0.00 1.08 4.32 -0.84 -4.81 117.00 115.52 2c3m n LEU 827 Ca 0.04 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 2c3m n LEU 827 Cb 0.33 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2c3m n LEU 827 CO 0.25 0.50 0.05 0.49 -1.22 0.00 0.00 177.39 177.46 2c3m n PHE 828 N -2.70 0.00 -0.31 -1.77 3.01 -0.45 -4.93 117.46 110.30 2c3m n PHE 828 Ca -0.27 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.34 2c3m n PHE 828 Cb 0.95 0.00 0.29 0.00 -0.01 0.00 0.00 39.48 40.71 2c3m n PHE 828 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c3m n GLY 829 N 0.05 -1.20 0.03 1.37 0.00 0.43 -1.32 105.19 104.55 2c3m n GLY 829 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 46.02 46.97 2c3m n GLY 829 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c3m n GLU 830 N -5.32 0.04 -0.93 1.61 0.00 -1.26 -2.46 120.64 112.31 2c3m n GLU 830 Ca 0.22 0.32 0.04 0.00 0.00 0.00 0.00 57.16 57.74 2c3m n GLU 830 Cb 0.74 -1.58 0.05 0.00 0.00 0.00 0.00 31.44 30.65 2c3m n GLU 830 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2c3m n ARG 831 N -1.65 0.33 -4.13 3.44 1.85 -0.44 -4.29 116.66 111.78 2c3m n ARG 831 Ca 0.03 -1.91 -0.30 0.00 -1.00 0.00 0.00 57.85 54.66 2c3m n ARG 831 Cb 0.16 -0.51 -0.08 0.00 -1.05 0.00 0.00 32.46 30.98 2c3m n ARG 831 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2c3m s MET 832 N -0.70 2.62 -0.04 2.89 0.23 -1.15 -0.20 119.30 122.95 2c3m s MET 832 Ca 0.24 -0.79 0.00 0.00 -1.03 0.00 0.00 55.69 54.11 2c3m s MET 832 Cb 0.25 -2.58 -0.03 0.00 -1.53 0.00 0.00 34.83 30.94 2c3m s MET 832 CO -0.08 0.55 -0.02 -0.06 -2.03 0.00 0.00 175.02 173.38 2c3m s PHE 833 N -1.31 3.06 -0.11 3.16 0.40 -0.01 -1.70 117.98 121.48 2c3m s PHE 833 Ca 0.26 0.10 -0.00 0.00 -0.60 0.00 0.00 56.93 56.68 2c3m s PHE 833 Cb -0.12 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.72 2c3m s PHE 833 CO 0.18 0.43 -0.09 0.42 0.70 0.00 0.00 175.22 176.86 2c3m s ILE 834 N -0.95 1.08 -0.42 0.64 1.01 0.21 -0.46 121.20 122.31 2c3m s ILE 834 Ca 0.16 -0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 2c3m s ILE 834 Cb -0.11 -1.08 0.07 0.00 0.01 0.00 0.00 42.46 41.35 2c3m s ILE 834 CO 0.05 0.37 0.26 0.00 0.00 0.00 0.00 174.94 175.63 2c3m s ALA 835 N 1.57 3.30 -0.23 9.38 0.00 0.11 -1.51 121.76 134.38 2c3m s ALA 835 Ca 0.03 -2.12 -0.09 0.00 0.00 0.00 0.00 51.96 49.78 2c3m s ALA 835 Cb -0.13 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 2c3m s ALA 835 CO -0.07 -1.63 0.12 1.21 0.00 0.00 0.00 175.76 175.39 2c3m s ASN 836 N 2.09 5.82 0.52 0.00 3.84 0.04 -1.23 114.94 126.00 2c3m s ASN 836 Ca 0.03 0.04 -0.20 0.00 0.21 0.00 0.00 52.86 52.94 2c3m s ASN 836 Cb -0.23 -2.04 -0.07 0.00 -0.55 0.00 0.00 41.25 38.37 2c3m s ASN 836 CO 0.02 0.07 1.12 0.00 -2.79 0.00 0.00 177.10 175.53 2c3m s ALA 837 N 1.00 2.78 0.39 1.71 0.00 0.38 -4.10 121.76 123.91 2c3m s ALA 837 Ca 0.06 0.81 -0.27 0.00 0.00 0.00 0.00 51.96 52.55 2c3m s ALA 837 Cb -0.14 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 2c3m s ALA 837 CO 0.04 -0.66 1.42 0.99 0.00 0.00 0.00 175.76 177.54 2c3m s THR 838 N -1.76 2.25 -5.00 0.00 2.01 -1.20 -4.08 115.64 107.86 2c3m s THR 838 Ca 0.70 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.94 2c3m s THR 838 Cb -0.23 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.12 2c3m s THR 838 CO 0.27 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 2c3m n GLY 839 N 0.57 -0.76 0.37 4.40 0.00 -1.26 -4.83 105.19 103.68 2c3m n GLY 839 Ca 0.02 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.78 2c3m n GLY 839 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m h SER 841 N 0.73 0.00 1.06 0.00 4.64 -1.91 0.13 113.55 118.20 2c3m h SER 841 Ca 0.54 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.81 2c3m h SER 841 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2c3m h SER 841 CO -0.32 0.12 -0.97 0.77 -0.87 0.00 0.00 176.83 175.57 2c3m h SER 842 N 0.00 0.00 0.09 4.97 4.64 -1.15 -2.49 113.55 119.61 2c3m h SER 842 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 2c3m h SER 842 Cb 0.44 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2c3m h SER 842 CO 0.02 0.20 -0.69 0.40 -0.87 0.00 0.00 176.83 175.89 2c3m h ILE 843 N 0.00 1.50 0.00 0.95 1.08 -0.53 -0.56 117.51 119.94 2c3m h ILE 843 Ca -0.05 -2.45 -0.03 0.00 -0.39 0.00 0.00 64.86 61.95 2c3m h ILE 843 Cb 1.19 3.14 -0.00 0.00 -3.07 0.00 0.00 36.82 38.08 2c3m h ILE 843 CO 0.02 0.66 -0.13 4.11 -0.69 0.00 0.00 178.15 182.12 2c3m h TRP 844 N -0.58 0.00 0.02 1.37 5.08 -1.17 -2.92 115.95 117.75 2c3m h TRP 844 Ca -0.13 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.63 2c3m h TRP 844 Cb 1.46 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.60 2c3m h TRP 844 CO 0.21 0.13 -0.95 0.78 -1.28 0.00 0.00 178.44 177.33 2c3m h GLY 845 N 3.67 0.14 -5.06 11.11 0.00 -1.49 -3.33 103.07 108.11 2c3m h GLY 845 Ca -0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 47.33 46.82 2c3m h GLY 845 CO 0.02 0.26 -0.53 0.00 0.00 0.00 0.00 176.54 176.29 2c3m n ALA 846 N -2.43 2.36 -2.58 3.60 0.00 -0.22 -4.31 120.51 116.93 2c3m n ALA 846 Ca -0.03 -1.59 -0.43 0.00 0.00 0.00 0.00 53.44 51.39 2c3m n ALA 846 Cb 0.86 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 2c3m n ALA 846 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2c3m s SER 847 N -1.77 6.58 0.40 0.00 0.01 -1.10 -4.93 113.70 112.90 2c3m s SER 847 Ca 0.18 0.33 -0.24 0.00 1.31 0.00 0.00 55.95 57.52 2c3m s SER 847 Cb 0.42 -2.48 -0.11 0.00 0.21 0.00 0.00 66.02 64.05 2c3m s SER 847 CO -0.08 -1.07 0.92 0.00 0.41 0.00 0.00 173.24 173.41 2c3m n ALA 848 N 7.28 -0.23 -0.37 1.44 0.00 -1.26 -1.72 120.51 125.66 2c3m n ALA 848 Ca 0.08 0.24 0.11 0.00 0.00 0.00 0.00 53.44 53.86 2c3m n ALA 848 Cb 0.48 -2.01 0.33 0.00 0.00 0.00 0.00 19.45 18.25 2c3m n ALA 848 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2c3m n PRO 849 N 0.29 3.04 -2.95 0.00 -0.04 -1.26 -5.02 135.00 129.07 2c3m n PRO 849 Ca 0.10 -2.64 -0.43 0.00 -0.04 0.00 0.00 63.50 60.49 2c3m n PRO 849 Cb 0.38 -1.68 -0.05 0.00 -0.04 0.00 0.00 33.50 32.11 2c3m n PRO 849 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2c3m s SER 850 N -0.95 6.45 -0.37 3.54 0.15 -0.70 -4.81 113.70 117.01 2c3m s SER 850 Ca 0.48 0.02 -0.02 0.00 0.70 0.00 0.00 55.95 57.13 2c3m s SER 850 Cb 0.28 -2.39 0.09 0.00 -1.71 0.00 0.00 66.02 62.28 2c3m s SER 850 CO 0.29 -0.89 0.13 -0.04 1.20 0.00 0.00 173.24 173.93 2c3m s MET 851 N 3.30 2.09 0.25 5.44 -1.94 -1.26 -3.94 119.30 123.24 2c3m s MET 851 Ca 0.31 -1.65 0.06 0.00 -1.71 0.00 0.00 55.69 52.70 2c3m s MET 851 Cb -0.12 -3.42 0.29 0.00 2.01 0.00 0.00 34.83 33.59 2c3m s MET 851 CO 0.22 -0.92 1.58 -1.00 -0.01 0.00 0.00 175.02 174.90 2c3m h PRO 852 N 7.99 0.18 -6.90 2.03 0.13 -1.78 -2.52 132.00 131.14 2c3m h PRO 852 Ca -0.15 -0.12 -0.52 0.00 -0.87 0.00 0.00 66.00 64.34 2c3m h PRO 852 Cb 1.05 0.02 0.07 0.00 0.13 0.00 0.00 31.00 32.26 2c3m h PRO 852 CO 0.63 0.72 0.62 0.71 -0.23 0.00 0.00 178.00 180.45 2c3m s TYR 853 N -3.76 3.02 0.24 1.56 1.51 -1.26 -1.63 117.35 117.02 2c3m s TYR 853 Ca -0.03 1.43 -0.01 0.00 -1.01 0.00 0.00 57.07 57.45 2c3m s TYR 853 Cb 0.12 -3.64 -0.03 0.00 -0.11 0.00 0.00 41.96 38.30 2c3m s TYR 853 CO 0.79 -1.82 0.22 -1.59 -1.11 0.00 0.00 175.55 172.03 2c3m s LYS 854 N -1.91 1.38 0.37 -0.62 -2.85 -0.56 0.33 119.74 115.87 2c3m s LYS 854 Ca 0.51 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 53.83 2c3m s LYS 854 Cb -0.38 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 35.67 2c3m s LYS 854 CO 0.51 -0.49 0.57 0.95 0.10 0.00 0.00 175.35 176.99 2c3m s THR 855 N -3.95 4.95 0.08 3.79 -4.23 -1.26 -4.37 115.64 110.65 2c3m s THR 855 Ca 0.37 -0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 2c3m s THR 855 Cb 0.05 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 70.10 2c3m s THR 855 CO 0.15 -0.54 0.11 -0.46 -0.54 0.00 0.00 174.62 173.34 2c3m n ASN 856 N -1.84 0.07 0.32 3.99 0.23 0.26 -4.86 115.26 113.44 2c3m n ASN 856 Ca -0.04 -1.08 0.22 0.00 -0.53 0.00 0.00 54.58 53.15 2c3m n ASN 856 Cb 0.56 -0.08 1.12 0.00 -2.08 0.00 0.00 39.78 39.31 2c3m n ASN 856 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2c3m h ARG 857 N 0.00 0.00 -0.55 -3.83 0.11 -2.00 -1.39 114.38 106.73 2c3m h ARG 857 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2c3m h ARG 857 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 2c3m h ARG 857 CO 0.03 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.38 2c3m n LEU 858 N -3.05 3.28 -0.01 0.08 4.77 -1.26 -4.93 117.00 115.89 2c3m n LEU 858 Ca -0.02 -1.58 -0.00 0.00 -0.03 0.00 0.00 56.01 54.38 2c3m n LEU 858 Cb 0.10 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2c3m n LEU 858 CO 0.21 0.79 -0.00 0.61 -1.33 0.00 0.00 177.39 177.66 2c3m n GLY 859 N 1.48 0.48 3.91 -0.72 0.00 -0.52 -5.03 105.19 104.78 2c3m n GLY 859 Ca 0.20 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2c3m n GLY 859 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3m s GLN 860 N -0.29 3.55 -0.08 1.61 -0.21 -1.26 -4.75 119.66 118.24 2c3m s GLN 860 Ca 0.00 -0.23 -0.32 0.00 0.02 0.00 0.00 55.36 54.84 2c3m s GLN 860 Cb 0.00 -2.90 0.13 0.00 1.00 0.00 0.00 33.01 31.24 2c3m s GLN 860 CO 0.00 0.50 1.40 0.20 -2.12 0.00 0.00 175.29 175.27 2c3m s GLY 861 N -2.56 -0.42 0.17 3.09 0.00 -1.26 0.92 107.32 107.26 2c3m s GLY 861 Ca 0.39 0.72 -0.32 0.00 0.00 0.00 0.00 44.72 45.51 2c3m s GLY 861 CO 0.26 1.77 1.78 -4.14 0.00 0.00 0.00 173.10 172.77 2c3m s PRO 862 N -2.08 4.13 -0.49 2.90 0.02 -1.03 -4.69 135.00 133.76 2c3m s PRO 862 Ca 0.19 2.61 -0.25 0.00 0.02 0.00 0.00 61.00 63.57 2c3m s PRO 862 Cb 0.05 -3.31 0.03 0.00 0.02 0.00 0.00 34.50 31.30 2c3m s PRO 862 CO -0.05 -0.80 0.92 0.00 -0.33 0.00 0.00 177.00 176.74 2c3m s ALA 863 N 1.89 3.21 -0.09 -1.55 0.00 -0.69 -4.95 121.76 119.59 2c3m s ALA 863 Ca 0.78 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 2c3m s ALA 863 Cb -0.48 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 18.94 2c3m s ALA 863 CO 0.34 -2.17 -0.01 -0.46 0.00 0.00 0.00 175.76 173.46 2c3m s TRP 864 N 3.80 3.11 -0.09 0.00 -0.00 -1.26 -0.62 118.94 123.88 2c3m s TRP 864 Ca 0.34 0.12 -0.17 0.00 -0.00 0.00 0.00 56.10 56.39 2c3m s TRP 864 Cb -0.11 -1.80 0.04 0.00 -0.00 0.00 0.00 33.47 31.60 2c3m s TRP 864 CO 0.24 0.39 0.41 0.20 -0.00 0.00 0.00 176.95 178.18 2c3m s GLY 865 N -0.73 -0.28 -0.19 5.86 0.00 -0.57 -4.98 107.32 106.43 2c3m s GLY 865 Ca 0.11 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.69 2c3m s GLY 865 CO 0.02 0.64 -0.17 0.21 0.00 0.00 0.00 173.10 173.80 2c3m s ASN 866 N -0.58 3.27 0.00 1.64 2.47 -1.26 -0.78 114.94 119.69 2c3m s ASN 866 Ca -0.07 -0.75 0.00 0.00 0.42 0.00 0.00 52.86 52.46 2c3m s ASN 866 Cb -0.04 -1.42 0.00 0.00 -1.45 0.00 0.00 41.25 38.35 2c3m s ASN 866 CO 0.03 -0.05 0.00 -0.24 -3.72 0.00 0.00 177.10 173.12 2c3m n SER 867 N 4.62 0.00 -3.06 -4.21 2.88 -1.26 -5.01 113.62 107.58 2c3m n SER 867 Ca -0.19 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.18 2c3m n SER 867 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 2c3m n SER 867 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2c3m n LEU 868 N -0.59 0.00 0.09 2.46 4.77 -1.26 -4.98 117.00 117.48 2c3m n LEU 868 Ca 0.00 -2.46 -0.22 0.00 -0.03 0.00 0.00 56.01 53.30 2c3m n LEU 868 Cb 0.00 1.05 -0.13 0.00 -2.33 0.00 0.00 43.42 42.00 2c3m n LEU 868 CO 0.00 -0.39 -0.06 0.15 -1.33 0.00 0.00 177.39 175.75 2c3m h PHE 869 N 1.67 0.96 0.00 -1.77 3.57 -1.92 -3.18 116.94 116.27 2c3m h PHE 869 Ca -0.22 -0.62 0.00 0.00 3.53 0.00 0.00 57.97 60.67 2c3m h PHE 869 Cb 0.94 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2c3m h PHE 869 CO 0.00 1.46 -0.12 -0.85 -2.23 0.00 0.00 178.31 176.57 2c3m n GLU 870 N -3.84 0.24 -0.18 1.11 0.00 -1.26 -4.31 120.64 112.39 2c3m n GLU 870 Ca -0.14 0.17 0.08 0.00 0.00 0.00 0.00 57.16 57.27 2c3m n GLU 870 Cb 0.97 -1.75 0.16 0.00 0.00 0.00 0.00 31.44 30.82 2c3m n GLU 870 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2c3m n ASP 871 N -2.14 2.82 -0.27 -1.84 3.85 -1.26 -4.36 116.55 113.34 2c3m n ASP 871 Ca 0.05 -2.85 0.07 0.00 -0.71 0.00 0.00 54.79 51.35 2c3m n ASP 871 Cb 0.42 -0.39 0.21 0.00 -1.35 0.00 0.00 41.12 40.01 2c3m n ASP 871 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2c3m h ALA 872 N 0.70 1.16 -0.12 2.12 0.00 -1.75 -0.25 119.26 121.12 2c3m h ALA 872 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2c3m h ALA 872 Cb 1.05 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2c3m h ALA 872 CO 0.07 -0.19 0.03 0.00 0.00 0.00 0.00 179.25 179.15 2c3m h ALA 873 N 1.57 0.16 -0.03 0.00 0.00 -1.89 -1.42 119.26 117.65 2c3m h ALA 873 Ca 0.44 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2c3m h ALA 873 Cb 0.68 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2c3m h ALA 873 CO -0.41 -0.20 -0.31 1.05 0.00 0.00 0.00 179.25 179.38 2c3m h GLU 874 N -0.01 0.05 -0.09 0.00 9.09 -1.71 0.14 114.58 122.06 2c3m h GLU 874 Ca 0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.42 2c3m h GLU 874 Cb 0.26 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.35 2c3m h GLU 874 CO 0.00 0.36 0.01 -0.92 0.05 0.00 0.00 179.01 178.51 2c3m h TYR 875 N 0.05 0.18 -0.58 2.06 3.20 -0.90 -0.08 116.97 120.88 2c3m h TYR 875 Ca 0.00 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 2c3m h TYR 875 Cb 0.58 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 2c3m h TYR 875 CO 0.00 0.40 0.11 0.78 -1.64 0.00 0.00 178.16 177.81 2c3m h GLY 876 N -0.10 1.00 0.92 1.82 0.00 -0.91 -2.23 103.07 103.58 2c3m h GLY 876 Ca 0.03 -0.62 0.03 0.00 0.00 0.00 0.00 47.33 46.77 2c3m h GLY 876 CO 0.00 0.58 0.65 -2.75 0.00 0.00 0.00 176.54 175.03 2c3m h PHE 877 N 0.88 1.23 -0.55 5.60 3.57 -0.41 -1.45 116.94 125.81 2c3m h PHE 877 Ca 0.18 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 2c3m h PHE 877 Cb 0.37 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2c3m h PHE 877 CO 0.02 0.72 -0.05 0.78 -2.23 0.00 0.00 178.31 177.56 2c3m h GLY 878 N 1.28 1.06 0.91 2.40 0.00 -0.45 0.07 103.07 108.34 2c3m h GLY 878 Ca 0.39 -0.79 0.02 0.00 0.00 0.00 0.00 47.33 46.95 2c3m h GLY 878 CO -0.12 0.73 0.29 -0.33 0.00 0.00 0.00 176.54 177.12 2c3m h MET 879 N 0.89 0.57 -0.52 4.80 2.86 -0.83 -0.96 114.93 121.75 2c3m h MET 879 Ca 0.15 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 2c3m h MET 879 Cb 0.58 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2c3m h MET 879 CO 0.04 0.38 0.07 -0.97 1.06 0.00 0.00 176.91 177.49 2c3m h ASN 880 N 0.59 0.77 -0.77 1.22 -0.73 -0.83 -1.99 115.58 113.84 2c3m h ASN 880 Ca 0.19 -0.16 -0.03 0.00 1.87 0.00 0.00 56.30 58.17 2c3m h ASN 880 Cb -0.00 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.35 2c3m h ASN 880 CO -0.08 0.79 0.36 0.24 -0.37 0.00 0.00 177.43 178.38 2c3m h MET 881 N 0.78 1.13 -0.17 6.67 2.86 -0.27 -0.49 114.93 125.44 2c3m h MET 881 Ca 0.16 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2c3m h MET 881 Cb 0.37 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2c3m h MET 881 CO 0.01 0.88 0.03 1.03 1.06 0.00 0.00 176.91 179.92 2c3m h SER 882 N 1.12 0.27 -0.90 1.22 0.87 -0.73 -1.34 113.55 114.05 2c3m h SER 882 Ca 0.27 -0.26 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2c3m h SER 882 Cb 0.14 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 2c3m h SER 882 CO -0.03 0.46 0.60 0.24 -0.53 0.00 0.00 176.83 177.56 2c3m h MET 883 N 0.07 1.18 0.07 2.24 2.07 -1.13 0.16 114.93 119.60 2c3m h MET 883 Ca 0.05 -0.07 -0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2c3m h MET 883 Cb 0.30 -0.27 -0.00 0.00 -1.87 0.00 0.00 31.60 29.76 2c3m h MET 883 CO 0.00 0.78 -0.04 0.35 1.07 0.00 0.00 176.91 179.07 2c3m h PHE 884 N 1.21 -0.11 -0.16 -0.22 3.57 -0.90 0.97 116.94 121.30 2c3m h PHE 884 Ca 0.33 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 2c3m h PHE 884 Cb -0.13 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2c3m h PHE 884 CO -0.01 -0.07 0.06 0.00 -2.23 0.00 0.00 178.31 176.07 2c3m h ALA 885 N 0.82 0.21 -0.25 2.41 0.00 -0.80 -1.27 119.26 120.38 2c3m h ALA 885 Ca -0.01 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2c3m h ALA 885 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2c3m h ALA 885 CO 0.01 -0.19 -0.49 0.00 0.00 0.00 0.00 179.25 178.58 2c3m h ARG 886 N 0.10 0.68 0.00 0.00 3.08 -0.66 -2.07 114.38 115.52 2c3m h ARG 886 Ca 0.05 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 59.63 2c3m h ARG 886 Cb 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2c3m h ARG 886 CO -0.00 1.02 -0.37 0.00 -1.07 0.00 0.00 179.97 179.54 2c3m h ARG 887 N 0.54 0.00 -0.19 0.04 3.08 -0.81 -1.36 114.38 115.68 2c3m h ARG 887 Ca 0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 2c3m h ARG 887 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 2c3m h ARG 887 CO 0.10 0.37 -0.56 1.15 -1.07 0.00 0.00 179.97 179.96 2c3m h THR 888 N 0.00 1.32 -0.08 2.04 2.02 -1.09 -0.39 112.91 116.73 2c3m h THR 888 Ca -0.00 -1.81 -0.00 0.00 0.77 0.00 0.00 66.41 65.36 2c3m h THR 888 Cb 1.04 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2c3m h THR 888 CO 0.05 0.56 0.04 -0.74 0.37 0.00 0.00 175.52 175.80 2c3m h HIS 889 N 0.43 0.12 -0.55 3.16 -0.00 -1.00 -1.01 115.15 116.29 2c3m h HIS 889 Ca 0.01 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.42 2c3m h HIS 889 Cb 1.11 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 28.43 2c3m h HIS 889 CO 0.05 0.21 0.27 1.25 -0.00 0.00 0.00 177.93 179.71 2c3m h LEU 890 N -0.01 0.38 -1.30 0.26 5.85 -1.07 -1.28 115.31 118.14 2c3m h LEU 890 Ca 0.03 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2c3m h LEU 890 Cb 0.14 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2c3m h LEU 890 CO -0.00 0.25 0.32 0.00 -0.34 0.00 0.00 178.44 178.67 2c3m h ALA 891 N 1.31 1.47 -0.26 1.25 0.00 -0.75 0.98 119.26 123.26 2c3m h ALA 891 Ca 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2c3m h ALA 891 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2c3m h ALA 891 CO -0.19 0.44 0.03 0.22 0.00 0.00 0.00 179.25 179.76 2c3m h ASP 892 N 0.80 0.42 -0.55 0.00 3.58 -0.31 -1.59 116.42 118.77 2c3m h ASP 892 Ca 0.21 -0.27 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 2c3m h ASP 892 Cb 0.02 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2c3m h ASP 892 CO -0.03 0.58 0.12 -0.07 -2.88 0.00 0.00 179.24 176.96 2c3m h LEU 893 N 0.23 0.89 -0.75 2.28 3.38 -0.61 -1.90 115.31 118.83 2c3m h LEU 893 Ca 0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2c3m h LEU 893 Cb 0.35 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2c3m h LEU 893 CO 0.01 0.88 0.36 0.00 0.09 0.00 0.00 178.44 179.77 2c3m h ALA 894 N 1.23 0.97 -0.50 1.53 0.00 -0.63 -0.37 119.26 121.49 2c3m h ALA 894 Ca 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2c3m h ALA 894 Cb 0.36 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2c3m h ALA 894 CO 0.00 0.53 0.20 0.00 0.00 0.00 0.00 179.25 179.99 2c3m h ALA 895 N 1.18 0.64 -0.71 0.00 0.00 -0.90 -2.47 119.26 117.00 2c3m h ALA 895 Ca 0.26 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2c3m h ALA 895 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2c3m h ALA 895 CO -0.03 0.25 0.21 0.87 0.00 0.00 0.00 179.25 180.55 2c3m h LYS 896 N 0.66 1.12 -0.40 0.00 1.57 -0.96 -2.47 116.57 116.10 2c3m h LYS 896 Ca 0.17 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2c3m h LYS 896 Cb 0.19 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2c3m h LYS 896 CO -0.01 0.97 0.27 0.00 -0.57 0.00 0.00 179.45 180.10 2c3m h ALA 897 N 1.10 1.84 0.00 3.86 0.00 -0.80 -1.14 119.26 124.12 2c3m h ALA 897 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2c3m h ALA 897 Cb 0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2c3m h ALA 897 CO -0.00 0.11 -0.02 -0.07 0.00 0.00 0.00 179.25 179.27 2c3m h LEU 898 N 0.43 0.00 -1.69 0.00 3.38 -0.98 -1.09 115.31 115.36 2c3m h LEU 898 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2c3m h LEU 898 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2c3m h LEU 898 CO -0.04 0.02 -0.00 -0.62 0.09 0.00 0.00 178.44 177.89 2c3m n GLU 899 N -3.40 2.16 -0.72 1.13 1.02 -0.44 -4.95 120.64 115.44 2c3m n GLU 899 Ca -0.02 -1.69 -0.03 0.00 -0.02 0.00 0.00 57.16 55.40 2c3m n GLU 899 Cb 0.12 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 2c3m n GLU 899 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2c3m n SER 900 N 1.05 0.12 -1.61 1.62 3.41 -0.41 -4.99 113.62 112.81 2c3m n SER 900 Ca 0.15 -1.11 -0.05 0.00 -0.26 0.00 0.00 58.87 57.60 2c3m n SER 900 Cb 0.54 -0.07 0.20 0.00 -0.26 0.00 0.00 64.21 64.61 2c3m n SER 900 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2c3m n ASP 901 N -3.01 3.83 -4.71 4.04 3.85 -1.26 -4.97 116.55 114.33 2c3m n ASP 901 Ca 0.02 -2.83 -0.34 0.00 -0.71 0.00 0.00 54.79 50.93 2c3m n ASP 901 Cb 0.06 -0.67 0.11 0.00 -1.35 0.00 0.00 41.12 39.27 2c3m n ASP 901 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2c3m s ALA 902 N -2.16 1.94 0.88 2.12 0.00 -1.26 -4.96 121.76 118.32 2c3m s ALA 902 Ca 0.37 0.85 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 2c3m s ALA 902 Cb 0.29 -3.48 0.12 0.00 0.00 0.00 0.00 23.12 20.05 2c3m s ALA 902 CO 0.09 -2.15 1.12 -1.54 0.00 0.00 0.00 175.76 173.28 2c3m s SER 903 N -2.13 3.35 0.32 0.00 1.04 -1.26 -4.76 113.70 110.27 2c3m s SER 903 Ca 0.73 2.01 0.00 0.00 0.48 0.00 0.00 55.95 59.18 2c3m s SER 903 Cb -0.29 -2.52 0.53 0.00 0.10 0.00 0.00 66.02 63.84 2c3m s SER 903 CO 0.49 -2.80 1.97 1.23 0.98 0.00 0.00 173.24 175.11 2c3m h GLY 904 N -1.66 1.00 0.96 7.32 0.00 -1.99 -0.53 103.07 108.18 2c3m h GLY 904 Ca -0.44 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.46 2c3m h GLY 904 CO 0.46 0.38 0.18 -0.55 0.00 0.00 0.00 176.54 177.02 2c3m h ASP 905 N 0.96 0.67 -0.23 0.19 3.45 -1.99 -0.69 116.42 118.77 2c3m h ASP 905 Ca 0.26 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 2c3m h ASP 905 Cb -0.07 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.52 2c3m h ASP 905 CO -0.05 0.66 0.05 0.58 -1.57 0.00 0.00 179.24 178.91 2c3m h VAL 906 N 0.63 1.21 -0.81 -1.35 2.07 -1.76 -2.33 116.25 113.92 2c3m h VAL 906 Ca 0.16 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 2c3m h VAL 906 Cb 0.21 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2c3m h VAL 906 CO -0.01 0.22 0.44 0.11 0.02 0.00 0.00 177.57 178.35 2c3m h LYS 907 N 0.19 1.13 -0.62 1.57 1.57 -0.98 -0.62 116.57 118.81 2c3m h LYS 907 Ca 0.07 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2c3m h LYS 907 Cb 0.29 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2c3m h LYS 907 CO 0.00 0.83 0.26 0.93 -0.57 0.00 0.00 179.45 180.90 2c3m h GLU 908 N 1.14 0.92 -0.40 3.15 5.08 -1.01 -0.35 114.58 123.12 2c3m h GLU 908 Ca 0.29 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2c3m h GLU 908 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2c3m h GLU 908 CO -0.05 0.78 -0.02 0.00 -1.00 0.00 0.00 179.01 178.72 2c3m h ALA 909 N 1.10 0.53 -0.78 3.43 0.00 -1.01 -0.97 119.26 121.58 2c3m h ALA 909 Ca 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2c3m h ALA 909 Cb 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2c3m h ALA 909 CO -0.02 0.33 0.46 -0.07 0.00 0.00 0.00 179.25 179.95 2c3m h LEU 910 N 0.53 0.94 -0.63 0.00 3.38 -0.88 0.14 115.31 118.79 2c3m h LEU 910 Ca 0.11 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2c3m h LEU 910 Cb 0.50 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2c3m h LEU 910 CO 0.02 0.74 0.04 1.56 0.09 0.00 0.00 178.44 180.89 2c3m h GLN 911 N 1.06 1.09 -0.64 1.13 4.20 -0.89 -0.29 115.11 120.77 2c3m h GLN 911 Ca 0.28 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2c3m h GLN 911 Cb -0.02 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 2c3m h GLN 911 CO -0.05 1.03 0.26 0.78 -0.67 0.00 0.00 178.83 180.18 2c3m h GLY 912 N 0.99 1.03 0.86 3.46 0.00 -0.58 -1.27 103.07 107.56 2c3m h GLY 912 Ca 0.18 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2c3m h GLY 912 CO 0.02 0.53 0.05 -0.25 0.00 0.00 0.00 176.54 176.89 2c3m h TRP 913 N 0.90 0.36 -0.87 5.60 7.01 -0.46 -2.18 115.95 126.31 2c3m h TRP 913 Ca 0.21 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.21 2c3m h TRP 913 Cb 0.20 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.11 2c3m h TRP 913 CO 0.01 0.45 0.57 -0.07 -2.79 0.00 0.00 178.44 176.62 2c3m h LEU 914 N 0.17 0.93 -0.87 0.65 3.38 -0.89 0.62 115.31 119.30 2c3m h LEU 914 Ca 0.07 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2c3m h LEU 914 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2c3m h LEU 914 CO 0.00 0.63 -0.53 0.00 0.09 0.00 0.00 178.44 178.63 2c3m h ALA 915 N 1.49 1.03 0.00 1.53 0.00 -1.06 -3.29 119.26 118.97 2c3m h ALA 915 Ca 0.35 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2c3m h ALA 915 Cb 0.05 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 2c3m h ALA 915 CO -0.11 0.67 -0.56 0.41 0.00 0.00 0.00 179.25 179.65 2c3m n GLY 916 N 0.16 4.08 0.31 0.00 0.00 -0.84 -4.83 105.19 104.07 2c3m n GLY 916 Ca -0.01 -1.15 0.17 0.00 0.00 0.00 0.00 46.02 45.03 2c3m n GLY 916 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2c3m h LYS 917 N 0.86 0.00 -0.50 1.61 2.10 0.15 -1.08 116.57 119.72 2c3m h LYS 917 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2c3m h LYS 917 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2c3m h LYS 917 CO 0.02 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.56 2c3m n ASN 918 N -3.62 3.55 -4.52 7.07 3.02 -1.26 -4.32 115.26 115.18 2c3m n ASN 918 Ca -0.02 -2.13 -0.36 0.00 -0.03 0.00 0.00 54.58 52.03 2c3m n ASN 918 Cb 0.11 -0.38 -0.12 0.00 -0.61 0.00 0.00 39.78 38.79 2c3m n ASN 918 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2c3m s ASP 919 N -1.06 5.36 0.32 6.41 -1.08 -0.46 -4.98 116.67 121.18 2c3m s ASP 919 Ca 0.36 -0.10 0.06 0.00 -0.52 0.00 0.00 52.55 52.35 2c3m s ASP 919 Cb 0.20 -1.95 0.73 0.00 -1.46 0.00 0.00 42.92 40.45 2c3m s ASP 919 CO 0.22 0.03 1.82 -0.65 0.52 0.00 0.00 175.17 177.11 2c3m h PRO 920 N 7.74 0.77 0.22 4.34 0.11 -1.87 0.05 132.00 143.35 2c3m h PRO 920 Ca -0.37 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 2c3m h PRO 920 Cb 1.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2c3m h PRO 920 CO 0.61 0.51 -0.11 0.82 -0.21 0.00 0.00 178.00 179.62 2c3m h ILE 921 N 0.79 0.15 -0.73 4.15 1.08 -1.94 -3.20 117.51 117.81 2c3m h ILE 921 Ca 0.51 -0.86 -0.06 0.00 -0.39 0.00 0.00 64.86 64.07 2c3m h ILE 921 Cb 0.75 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 2c3m h ILE 921 CO -0.28 0.04 0.23 0.11 -0.69 0.00 0.00 178.15 177.57 2c3m h LYS 922 N -1.06 1.13 -0.72 2.37 1.79 -1.79 -0.98 116.57 117.32 2c3m h LYS 922 Ca -0.03 -0.24 0.04 0.00 -2.18 0.00 0.00 60.65 58.24 2c3m h LYS 922 Cb 0.30 -0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 2c3m h LYS 922 CO 0.05 0.96 0.45 0.66 -1.08 0.00 0.00 179.45 180.48 2c3m h SER 923 N 1.09 0.72 -0.26 0.86 4.64 -0.45 -1.78 113.55 118.38 2c3m h SER 923 Ca 0.24 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.48 2c3m h SER 923 Cb 0.30 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2c3m h SER 923 CO -0.01 0.49 -0.18 0.50 -0.87 0.00 0.00 176.83 176.76 2c3m h LYS 924 N 0.86 0.58 0.03 4.77 3.64 -1.48 -0.07 116.57 124.90 2c3m h LYS 924 Ca 0.30 -0.28 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2c3m h LYS 924 Cb 0.06 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2c3m h LYS 924 CO -0.13 0.86 -0.21 1.49 -2.27 0.00 0.00 179.45 179.19 2c3m h GLU 925 N 0.30 -0.34 0.00 1.90 4.81 -0.72 0.30 114.58 120.83 2c3m h GLU 925 Ca 0.05 0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.13 2c3m h GLU 925 Cb 0.72 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 2c3m h GLU 925 CO 0.05 -0.23 -0.83 1.88 -0.73 0.00 0.00 179.01 179.15 2c3m h TYR 926 N -0.36 0.00 -0.48 0.92 -1.99 -1.42 -2.95 116.97 110.69 2c3m h TYR 926 Ca 0.05 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 2c3m h TYR 926 Cb 0.42 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 2c3m h TYR 926 CO -0.24 0.83 0.27 0.78 -0.00 0.00 0.00 178.16 179.80 2c3m h GLY 927 N 2.70 0.71 1.96 3.88 0.00 -0.67 -0.32 103.07 111.33 2c3m h GLY 927 Ca -0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 2c3m h GLY 927 CO 0.11 0.31 -0.20 -0.55 0.00 0.00 0.00 176.54 176.21 2c3m h ASP 928 N 0.64 0.05 -0.27 0.19 5.19 -0.38 -1.08 116.42 120.76 2c3m h ASP 928 Ca 0.17 -0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.45 2c3m h ASP 928 Cb 0.04 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.53 2c3m h ASP 928 CO -0.03 0.25 -0.30 0.11 -3.12 0.00 0.00 179.24 176.15 2c3m h LYS 929 N 0.05 0.67 -0.33 3.56 1.57 -1.19 -2.98 116.57 117.93 2c3m h LYS 929 Ca 0.01 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 2c3m h LYS 929 Cb 0.38 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2c3m h LYS 929 CO 0.03 0.98 0.08 -0.07 -0.57 0.00 0.00 179.45 179.90 2c3m h LEU 930 N 0.40 0.43 -1.22 2.94 3.38 -0.44 0.22 115.31 121.03 2c3m h LEU 930 Ca 0.04 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2c3m h LEU 930 Cb 0.88 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2c3m h LEU 930 CO 0.07 0.44 -0.03 0.11 0.09 0.00 0.00 178.44 179.13 2c3m h LYS 931 N 0.47 0.50 0.08 1.13 1.57 -1.09 -1.03 116.57 118.20 2c3m h LYS 931 Ca 0.11 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2c3m h LYS 931 Cb 0.19 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.44 2c3m h LYS 931 CO -0.00 0.55 -0.47 0.87 -0.57 0.00 0.00 179.45 179.82 2c3m h LYS 932 N 0.47 0.17 -0.17 3.15 1.57 -1.20 -3.06 116.57 117.50 2c3m h LYS 932 Ca 0.10 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 2c3m h LYS 932 Cb 0.36 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2c3m h LYS 932 CO 0.01 1.14 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.85 2c3m h LEU 933 N -0.65 0.25 -2.79 2.94 3.38 -0.92 -2.95 115.31 114.57 2c3m h LEU 933 Ca -0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2c3m h LEU 933 Cb 1.36 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2c3m h LEU 933 CO 0.08 0.39 0.00 0.18 0.09 0.00 0.00 178.44 179.18 2c3m n LEU 934 N -4.29 3.78 -4.67 1.67 4.77 -0.40 -4.95 117.00 112.91 2c3m n LEU 934 Ca -0.00 -2.01 -0.47 0.00 -0.03 0.00 0.00 56.01 53.50 2c3m n LEU 934 Cb 0.26 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2c3m n LEU 934 CO 0.38 0.94 1.25 0.00 -1.33 0.00 0.00 177.39 178.63 2c3m n ALA 935 N 1.42 1.19 0.00 -1.18 0.00 -1.12 -0.96 120.51 119.87 2c3m n ALA 935 Ca 0.22 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2c3m n ALA 935 Cb 0.59 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2c3m n ALA 935 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3m n GLY 936 N 3.62 2.91 3.68 0.00 0.00 -1.26 -5.00 105.19 109.13 2c3m n GLY 936 Ca 0.18 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.71 2c3m n GLY 936 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2c3m n GLN 937 N -0.49 2.02 0.00 1.61 1.13 -0.14 -4.81 117.38 116.70 2c3m n GLN 937 Ca 0.00 0.74 0.00 0.00 -1.94 0.00 0.00 57.00 55.80 2c3m n GLN 937 Cb 0.00 -2.55 0.00 0.00 0.11 0.00 0.00 30.24 27.80 2c3m n GLN 937 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2c3m n LYS 938 N 5.90 1.81 -4.01 -1.09 4.76 -1.26 -4.53 118.16 119.75 2c3m n LYS 938 Ca 0.22 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.43 2c3m n LYS 938 Cb 0.27 -0.86 -0.03 0.00 -1.84 0.00 0.00 35.03 32.57 2c3m n LYS 938 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2c3m s ASP 939 N -1.50 6.04 0.70 4.39 1.11 -1.26 -4.65 116.67 121.50 2c3m s ASP 939 Ca 0.00 0.00 0.00 0.00 0.18 0.00 0.00 52.55 52.73 2c3m s ASP 939 Cb 0.00 -1.72 0.00 0.00 1.07 0.00 0.00 42.92 42.27 2c3m s ASP 939 CO 0.00 -0.01 0.00 0.61 1.18 0.00 0.00 175.17 176.95 2c3m n GLY 940 N -0.96 0.82 0.26 0.21 0.00 -1.26 -1.46 105.19 102.80 2c3m n GLY 940 Ca -0.08 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 2c3m n GLY 940 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2c3m h LEU 941 N 0.00 0.54 -1.43 0.99 5.85 -1.99 -1.30 115.31 117.96 2c3m h LEU 941 Ca 0.00 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2c3m h LEU 941 Cb 0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2c3m h LEU 941 CO 0.00 0.35 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.09 2c3m h LEU 942 N 0.67 0.00 -0.40 2.25 3.38 -1.97 -1.71 115.31 117.53 2c3m h LEU 942 Ca 0.30 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 2c3m h LEU 942 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2c3m h LEU 942 CO -0.18 0.29 -0.27 1.23 0.09 0.00 0.00 178.44 179.59 2c3m h GLY 943 N 0.92 0.96 0.94 0.83 0.00 -0.14 -0.34 103.07 106.25 2c3m h GLY 943 Ca -0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.39 2c3m h GLY 943 CO 0.04 0.83 0.16 1.46 0.00 0.00 0.00 176.54 179.03 2c3m h GLN 944 N 0.70 0.56 -0.42 4.80 4.20 -0.81 -1.51 115.11 122.63 2c3m h GLN 944 Ca 0.08 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 2c3m h GLN 944 Cb 0.84 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 2c3m h GLN 944 CO 0.07 0.53 -0.00 0.82 -0.67 0.00 0.00 178.83 179.58 2c3m h ILE 945 N 0.47 1.23 -0.62 2.54 2.04 -1.26 -2.51 117.51 119.39 2c3m h ILE 945 Ca 0.13 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 2c3m h ILE 945 Cb 0.17 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2c3m h ILE 945 CO -0.01 0.32 0.13 0.00 0.00 0.00 0.00 178.15 178.59 2c3m h ALA 946 N 1.36 1.07 0.00 1.87 0.00 -0.70 -2.42 119.26 120.45 2c3m h ALA 946 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2c3m h ALA 946 Cb 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2c3m h ALA 946 CO 0.02 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.88 2c3m n ALA 947 N -2.46 1.98 -1.08 0.00 0.00 -0.60 -3.02 120.51 115.34 2c3m n ALA 947 Ca 0.04 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.43 2c3m n ALA 947 Cb 0.25 -1.31 0.27 0.00 0.00 0.00 0.00 19.45 18.66 2c3m n ALA 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2c3m n MET 948 N -1.36 3.11 0.23 0.00 2.00 -0.91 -4.68 117.12 115.51 2c3m n MET 948 Ca 0.08 -2.99 0.12 0.00 0.00 0.00 0.00 57.70 54.90 2c3m n MET 948 Cb 0.18 -1.97 0.71 0.00 0.00 0.00 0.00 33.22 32.14 2c3m n MET 948 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2c3m h SER 949 N 2.06 0.00 0.00 7.83 4.64 -1.63 0.03 113.55 126.49 2c3m h SER 949 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2c3m h SER 949 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 2c3m h SER 949 CO 0.40 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.46 2c3m n ASP 950 N -4.34 0.00 -0.13 4.97 5.68 -1.26 -1.79 116.55 119.67 2c3m n ASP 950 Ca -0.01 -0.81 0.04 0.00 -0.50 0.00 0.00 54.79 53.51 2c3m n ASP 950 Cb 0.18 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.14 2c3m n ASP 950 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c3m n LEU 951 N -0.84 0.89 0.25 -2.12 4.77 -0.00 -4.74 117.00 115.20 2c3m n LEU 951 Ca 0.10 -0.68 -0.16 0.00 -0.03 0.00 0.00 56.01 55.24 2c3m n LEU 951 Cb 0.05 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2c3m n LEU 951 CO 0.07 0.19 0.64 1.88 -1.33 0.00 0.00 177.39 178.84 2c3m h TYR 952 N 0.66 -0.93 -3.64 -1.77 0.99 -1.38 -3.43 116.97 107.47 2c3m h TYR 952 Ca 0.00 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.22 2c3m h TYR 952 Cb 0.26 0.35 0.00 0.00 1.00 0.00 0.00 36.73 38.34 2c3m h TYR 952 CO 0.00 -0.50 0.45 0.95 -0.00 0.00 0.00 178.16 179.06 2c3m s THR 953 N -6.01 3.90 0.15 -2.88 -4.23 -1.26 -4.64 115.64 100.66 2c3m s THR 953 Ca -0.17 1.71 -0.32 0.00 -1.18 0.00 0.00 61.69 61.74 2c3m s THR 953 Cb 0.05 -4.09 -0.11 0.00 1.34 0.00 0.00 72.50 69.69 2c3m s THR 953 CO 0.63 0.33 1.80 1.17 -0.54 0.00 0.00 174.62 178.01 2c3m n LYS 954 N 2.07 2.78 -2.84 3.99 3.00 -1.26 -4.98 118.16 120.92 2c3m n LYS 954 Ca 0.01 1.01 -0.23 0.00 -0.00 0.00 0.00 58.31 59.10 2c3m n LYS 954 Cb 0.46 -2.89 0.02 0.00 0.00 0.00 0.00 35.03 32.62 2c3m n LYS 954 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2c3m s LYS 955 N 2.27 2.93 -0.23 1.64 -0.14 -1.26 -4.82 119.74 120.13 2c3m s LYS 955 Ca 0.80 -0.49 0.01 0.00 -1.36 0.00 0.00 55.97 54.93 2c3m s LYS 955 Cb -0.49 -2.51 0.06 0.00 -1.68 0.00 0.00 37.83 33.21 2c3m s LYS 955 CO 0.36 -0.42 -0.08 0.45 -0.76 0.00 0.00 175.35 174.90 2c3m s SER 956 N -4.27 3.91 -0.27 2.83 0.15 0.72 -5.01 113.70 111.75 2c3m s SER 956 Ca 0.51 -1.17 -0.18 0.00 0.70 0.00 0.00 55.95 55.81 2c3m s SER 956 Cb -0.10 -1.30 -0.02 0.00 -1.71 0.00 0.00 66.02 62.88 2c3m s SER 956 CO 0.39 -0.20 0.53 -0.69 1.20 0.00 0.00 173.24 174.47 2c3m s VAL 957 N 1.31 5.05 0.01 4.45 1.01 -1.26 -0.83 120.40 130.14 2c3m s VAL 957 Ca -0.06 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.83 2c3m s VAL 957 Cb -0.18 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2c3m s VAL 957 CO -0.06 0.03 -0.21 0.26 0.00 0.00 0.00 175.10 175.12 2c3m s TRP 958 N 2.35 2.49 -0.22 5.22 0.52 0.39 -0.91 118.94 128.79 2c3m s TRP 958 Ca 0.21 -0.31 -0.01 0.00 0.02 0.00 0.00 56.10 56.01 2c3m s TRP 958 Cb -0.16 -1.49 0.02 0.00 -1.15 0.00 0.00 33.47 30.69 2c3m s TRP 958 CO 0.10 0.14 -0.11 0.42 0.02 0.00 0.00 176.95 177.52 2c3m s ILE 959 N -0.78 2.66 -0.11 2.03 1.01 0.14 -0.71 121.20 125.43 2c3m s ILE 959 Ca 0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 2c3m s ILE 959 Cb -0.10 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2c3m s ILE 959 CO 0.02 0.36 -0.01 -0.36 0.00 0.00 0.00 174.94 174.95 2c3m s PHE 960 N 1.33 3.12 0.04 3.97 2.99 -0.37 -0.72 117.98 128.36 2c3m s PHE 960 Ca 0.03 0.05 -0.27 0.00 0.00 0.00 0.00 56.93 56.74 2c3m s PHE 960 Cb -0.15 -1.85 0.09 0.00 0.00 0.00 0.00 43.02 41.11 2c3m s PHE 960 CO -0.07 0.31 0.82 0.20 -0.00 0.00 0.00 175.22 176.47 2c3m s GLY 961 N -0.45 -0.49 0.53 4.36 0.00 -1.07 -0.47 107.32 109.73 2c3m s GLY 961 Ca 0.08 0.84 -0.03 0.00 0.00 0.00 0.00 44.72 45.60 2c3m s GLY 961 CO 0.02 0.27 0.73 0.61 0.00 0.00 0.00 173.10 174.73 2c3m n GLY 962 N -0.29 0.07 0.22 0.20 0.00 -1.26 -1.60 105.19 102.53 2c3m n GLY 962 Ca -0.11 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 43.94 2c3m n GLY 962 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2c3m h ASP 963 N -0.62 0.53 -0.71 1.61 2.03 -1.83 -2.04 116.42 115.38 2c3m h ASP 963 Ca -0.24 -0.22 0.02 0.00 -0.73 0.00 0.00 57.03 55.86 2c3m h ASP 963 Cb 0.80 -0.15 -0.04 0.00 -0.83 0.00 0.00 39.33 39.12 2c3m h ASP 963 CO 0.23 0.86 0.46 1.23 -1.03 0.00 0.00 179.24 180.98 2c3m h GLY 964 N 1.08 1.01 0.86 7.15 0.00 -1.91 0.36 103.07 111.62 2c3m h GLY 964 Ca 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2c3m h GLY 964 CO 0.07 0.33 -0.30 -0.25 0.00 0.00 0.00 176.54 176.39 2c3m h TRP 965 N 0.92 -0.79 -0.45 5.60 7.01 -1.86 -1.13 115.95 125.26 2c3m h TRP 965 Ca 0.27 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.16 2c3m h TRP 965 Cb -0.05 0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 2c3m h TRP 965 CO -0.03 -0.45 -0.10 0.00 -2.79 0.00 0.00 178.44 175.07 2c3m h ALA 966 N -0.73 0.98 0.00 2.65 0.00 -1.17 0.21 119.26 121.20 2c3m h ALA 966 Ca -0.09 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2c3m h ALA 966 Cb 0.69 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2c3m h ALA 966 CO 0.14 0.61 -1.52 0.66 0.00 0.00 0.00 179.25 179.14 2c3m n TYR 967 N -4.16 0.80 0.00 0.00 4.02 0.13 -3.94 117.16 114.00 2c3m n TYR 967 Ca 0.01 0.26 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 2c3m n TYR 967 Cb 0.36 -1.01 0.00 0.00 -0.02 0.00 0.00 39.34 38.67 2c3m n TYR 967 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2c3m n ASP 968 N -2.80 0.00 -0.36 7.72 10.43 -0.45 -4.75 116.55 126.35 2c3m n ASP 968 Ca -0.10 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.26 2c3m n ASP 968 Cb 0.82 0.00 0.14 0.00 1.84 0.00 0.00 41.12 43.92 2c3m n ASP 968 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 2c3m h ILE 969 N 0.00 1.15 -0.69 0.53 2.10 -1.27 -2.90 117.51 116.42 2c3m h ILE 969 Ca 0.00 -0.41 0.00 0.00 1.08 0.00 0.00 64.86 65.53 2c3m h ILE 969 Cb 0.00 -0.16 0.00 0.00 -1.09 0.00 0.00 36.82 35.57 2c3m h ILE 969 CO 0.00 0.22 0.00 0.61 -1.08 0.00 0.00 178.15 177.90 2c3m n GLY 970 N -1.36 2.35 0.24 8.18 0.00 0.73 -4.55 105.19 110.78 2c3m n GLY 970 Ca 0.13 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 2c3m n GLY 970 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2c3m h TYR 971 N 4.31 0.74 -0.49 1.61 3.20 -1.35 0.92 116.97 125.91 2c3m h TYR 971 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2c3m h TYR 971 Cb 0.98 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 2c3m h TYR 971 CO 0.46 0.46 0.18 0.78 -1.64 0.00 0.00 178.16 178.41 2c3m h GLY 972 N 0.80 0.75 1.20 1.82 0.00 -1.80 0.12 103.07 105.96 2c3m h GLY 972 Ca 0.22 -0.37 -0.24 0.00 0.00 0.00 0.00 47.33 46.93 2c3m h GLY 972 CO -0.05 0.36 -0.90 -1.33 0.00 0.00 0.00 176.54 174.61 2c3m h GLY 973 N 0.85 0.83 0.93 4.60 0.00 -1.73 -2.51 103.07 106.04 2c3m h GLY 973 Ca 0.17 -1.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.17 2c3m h GLY 973 CO -0.01 1.15 0.13 -2.00 0.00 0.00 0.00 176.54 175.81 2c3m h LEU 974 N 0.48 0.51 -0.43 3.11 5.85 -0.46 -1.04 115.31 123.32 2c3m h LEU 974 Ca -0.09 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.49 2c3m h LEU 974 Cb 1.54 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.39 2c3m h LEU 974 CO 0.18 0.56 0.18 -0.78 -0.34 0.00 0.00 178.44 178.23 2c3m h ASP 975 N 0.43 0.22 -0.52 1.25 -0.00 -0.81 -0.73 116.42 116.27 2c3m h ASP 975 Ca 0.12 0.04 -0.08 0.00 -0.00 0.00 0.00 57.03 57.10 2c3m h ASP 975 Cb 0.22 0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 39.54 2c3m h ASP 975 CO -0.01 0.16 -0.00 -0.74 -0.00 0.00 0.00 179.24 178.65 2c3m h HIS 976 N 0.36 1.00 -0.64 0.28 2.76 -1.24 -0.92 115.15 116.75 2c3m h HIS 976 Ca 0.19 -0.17 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 2c3m h HIS 976 Cb 0.15 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 2c3m h HIS 976 CO -0.13 0.92 0.15 0.28 -1.30 0.00 0.00 177.93 177.85 2c3m h VAL 977 N 0.78 1.26 -0.45 5.26 2.07 -0.89 -1.85 116.25 122.42 2c3m h VAL 977 Ca 0.15 -0.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.60 2c3m h VAL 977 Cb 0.53 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2c3m h VAL 977 CO 0.03 0.36 -0.18 -0.07 0.02 0.00 0.00 177.57 177.72 2c3m h LEU 978 N 0.95 0.90 -1.98 2.57 3.38 -1.00 -2.64 115.31 117.48 2c3m h LEU 978 Ca 0.20 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2c3m h LEU 978 Cb 0.37 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2c3m h LEU 978 CO 0.00 1.06 -0.07 0.00 0.09 0.00 0.00 178.44 179.53 2c3m h ALA 979 N 1.01 1.13 0.00 1.53 0.00 -0.84 -2.92 119.26 119.17 2c3m h ALA 979 Ca 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2c3m h ALA 979 Cb 0.72 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2c3m h ALA 979 CO 0.06 0.08 -0.15 0.66 0.00 0.00 0.00 179.25 179.90 2c3m h SER 980 N 0.00 0.00 0.00 0.00 4.64 -0.96 -3.47 113.55 113.77 2c3m h SER 980 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c3m h SER 980 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2c3m h SER 980 CO 0.01 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 2c3m n GLY 981 N -0.90 0.56 3.88 -0.77 0.00 -1.10 -5.04 105.19 101.83 2c3m n GLY 981 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2c3m n GLY 981 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3m s GLU 982 N -0.09 3.55 -1.19 1.61 0.41 -1.26 -4.23 118.70 117.51 2c3m s GLU 982 Ca 0.00 0.52 -0.20 0.00 -0.41 0.00 0.00 54.97 54.88 2c3m s GLU 982 Cb 0.00 -2.19 0.05 0.00 -1.78 0.00 0.00 34.13 30.21 2c3m s GLU 982 CO 0.00 -0.45 1.65 0.34 -0.49 0.00 0.00 175.26 176.31 2c3m s ASP 983 N -4.16 6.61 0.13 -0.19 3.68 -1.26 -1.11 116.67 120.36 2c3m s ASP 983 Ca 0.52 -2.02 0.05 0.00 2.13 0.00 0.00 52.55 53.23 2c3m s ASP 983 Cb -0.11 -2.58 -0.04 0.00 -1.45 0.00 0.00 42.92 38.75 2c3m s ASP 983 CO 0.50 -1.40 -0.12 0.68 0.13 0.00 0.00 175.17 174.96 2c3m s VAL 984 N 4.90 1.18 -0.16 1.11 -7.23 -1.25 -4.67 120.40 114.29 2c3m s VAL 984 Ca 0.52 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 2c3m s VAL 984 Cb 0.02 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.38 2c3m s VAL 984 CO 0.02 -0.57 -0.15 0.20 -0.31 0.00 0.00 175.10 174.29 2c3m s ASN 985 N -2.72 2.89 -0.22 4.85 0.01 -0.08 -1.84 114.94 117.83 2c3m s ASN 985 Ca 0.11 -0.58 -0.07 0.00 -0.71 0.00 0.00 52.86 51.61 2c3m s ASN 985 Cb -0.02 -1.25 -0.03 0.00 0.41 0.00 0.00 41.25 40.36 2c3m s ASN 985 CO 0.02 -0.06 0.05 -0.69 -1.51 0.00 0.00 177.10 174.90 2c3m s VAL 986 N 1.43 4.26 -0.25 1.60 1.01 0.35 0.28 120.40 129.08 2c3m s VAL 986 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2c3m s VAL 986 Cb -0.13 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.32 2c3m s VAL 986 CO -0.11 0.38 -0.06 0.12 0.00 0.00 0.00 175.10 175.43 2c3m s PHE 987 N 1.25 3.10 -0.28 5.22 5.36 0.10 -0.58 117.98 132.15 2c3m s PHE 987 Ca 0.04 -1.68 -0.10 0.00 -0.96 0.00 0.00 56.93 54.24 2c3m s PHE 987 Cb -0.15 -2.05 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 2c3m s PHE 987 CO 0.03 -0.76 0.15 0.08 -1.46 0.00 0.00 175.22 173.26 2c3m s VAL 988 N 1.29 4.82 -0.60 3.12 1.01 0.94 -2.60 120.40 128.37 2c3m s VAL 988 Ca -0.01 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 2c3m s VAL 988 Cb -0.17 -3.34 0.09 0.00 0.00 0.00 0.00 36.38 32.96 2c3m s VAL 988 CO -0.04 0.21 0.77 -0.04 0.00 0.00 0.00 175.10 176.00 2c3m s MET 989 N 1.67 3.07 -0.57 2.72 -1.94 -0.63 -0.40 119.30 123.22 2c3m s MET 989 Ca 0.06 -1.15 -0.24 0.00 -1.71 0.00 0.00 55.69 52.65 2c3m s MET 989 Cb -0.16 -4.24 0.05 0.00 2.01 0.00 0.00 34.83 32.48 2c3m s MET 989 CO 0.07 -1.59 0.95 0.34 -0.01 0.00 0.00 175.02 174.78 2c3m s ASP 990 N 3.57 6.31 0.00 3.03 -1.08 -0.50 -2.98 116.67 125.03 2c3m s ASP 990 Ca 0.15 -0.46 0.23 0.00 -0.52 0.00 0.00 52.55 51.95 2c3m s ASP 990 Cb -0.22 -2.43 0.46 0.00 -1.46 0.00 0.00 42.92 39.26 2c3m s ASP 990 CO 0.08 -1.27 1.42 0.35 0.52 0.00 0.00 175.17 176.26 2c3m n THR 991 N 6.15 0.45 -2.25 1.71 -2.24 -1.26 -1.32 114.28 115.51 2c3m n THR 991 Ca 0.01 -0.69 -0.18 0.00 -2.27 0.00 0.00 64.05 60.92 2c3m n THR 991 Cb 0.47 0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 2c3m n THR 991 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2c3m n GLU 992 N 1.36 -1.77 -3.59 -0.78 1.02 -1.26 -4.88 120.64 110.74 2c3m n GLU 992 Ca 0.19 0.92 -0.04 0.00 -0.02 0.00 0.00 57.16 58.20 2c3m n GLU 992 Cb 0.58 -5.51 -0.02 0.00 -0.02 0.00 0.00 31.44 26.47 2c3m n GLU 992 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2c3m s VAL 993 N -2.84 0.00 -0.68 2.62 -7.23 -1.26 -3.86 120.40 107.14 2c3m s VAL 993 Ca 0.00 -0.08 -0.27 0.00 -1.81 0.00 0.00 61.98 59.83 2c3m s VAL 993 Cb 0.00 -1.22 0.04 0.00 0.56 0.00 0.00 36.38 35.75 2c3m s VAL 993 CO 0.00 0.00 1.20 -0.31 -0.31 0.00 0.00 175.10 175.68 2c3m s TYR 994 N -2.62 2.43 -0.07 2.82 1.51 0.39 -4.61 117.35 117.21 2c3m s TYR 994 Ca 0.09 -0.00 -0.09 0.00 -1.01 0.00 0.00 57.07 56.06 2c3m s TYR 994 Cb -0.00 -4.53 -0.05 0.00 -0.11 0.00 0.00 41.96 37.27 2c3m s TYR 994 CO -0.05 -1.87 0.38 0.77 -1.11 0.00 0.00 175.55 173.66 2c3m h SER 995 N 9.82 -0.25 -0.92 2.29 0.02 -1.94 0.45 113.55 123.02 2c3m h SER 995 Ca -0.27 -0.02 0.17 0.00 -0.84 0.00 0.00 61.79 60.83 2c3m h SER 995 Cb 1.06 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.58 2c3m h SER 995 CO 1.24 0.23 0.59 -0.55 -1.14 0.00 0.00 176.83 177.19 2c3m h ASN 996 N -1.07 0.58 0.19 3.07 7.08 -1.92 -1.82 115.58 121.69 2c3m h ASN 996 Ca -0.03 0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.24 2c3m h ASN 996 Cb 0.26 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 36.44 2c3m h ASN 996 CO 0.05 0.26 -0.02 0.35 -2.08 0.00 0.00 177.43 175.98 2c3m n THR 997 N -4.58 0.00 0.00 6.14 -2.24 -1.26 -4.88 114.28 107.47 2c3m n THR 997 Ca 0.19 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2c3m n THR 997 Cb 0.57 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2c3m n THR 997 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3m n GLY 998 N 1.14 1.94 2.47 3.38 0.00 -0.69 -4.85 105.19 108.58 2c3m n GLY 998 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 2c3m n GLY 998 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c3m n GLY 999 N 0.00 0.23 3.84 -0.02 0.00 0.13 -4.80 105.19 104.56 2c3m n GLY 999 Ca 0.00 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2c3m n GLY 999 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3m s GLN 1000N -5.54 4.01 0.50 1.61 1.11 -1.07 -1.94 119.66 118.33 2c3m s GLN 1000Ca 0.26 0.93 -0.22 0.00 0.01 0.00 0.00 55.36 56.33 2c3m s GLN 1000Cb -0.11 -2.20 -0.06 0.00 -1.01 0.00 0.00 33.01 29.63 2c3m s GLN 1000CO 0.35 -0.15 1.21 0.45 0.01 0.00 0.00 175.29 177.16 2c3m s SER 1001N -2.79 5.83 0.30 5.90 0.15 -0.43 -0.46 113.70 122.20 2c3m s SER 1001Ca 0.59 2.42 0.02 0.00 0.70 0.00 0.00 55.95 59.68 2c3m s SER 1001Cb -0.10 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 2c3m s SER 1001CO 0.25 -1.16 0.09 -0.94 1.20 0.00 0.00 173.24 172.69 2c3m s SER 1002N -1.31 1.71 0.00 5.45 1.04 -1.26 -4.72 113.70 114.61 2c3m s SER 1002Ca 0.67 -1.42 0.12 0.00 0.48 0.00 0.00 55.95 55.81 2c3m s SER 1002Cb -0.31 0.14 0.59 0.00 0.10 0.00 0.00 66.02 66.53 2c3m s SER 1002CO 0.37 -0.73 1.35 0.29 0.98 0.00 0.00 173.24 175.51 2c3m n LYS 1003N -0.58 0.10 0.02 4.02 5.02 -1.26 -1.01 118.16 124.48 2c3m n LYS 1003Ca -0.01 0.22 0.12 0.00 -2.02 0.00 0.00 58.31 56.62 2c3m n LYS 1003Cb 0.66 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.46 2c3m n LYS 1003CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c3m n ALA 1004N -1.38 3.11 -2.06 7.82 0.00 -1.26 -0.80 120.51 125.94 2c3m n ALA 1004Ca 0.05 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2c3m n ALA 1004Cb 0.12 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 2c3m n ALA 1004CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2c3m s THR 1005N -3.06 3.22 0.68 0.00 2.01 -0.18 -4.68 115.64 113.63 2c3m s THR 1005Ca 0.10 0.95 -0.10 0.00 0.31 0.00 0.00 61.69 62.96 2c3m s THR 1005Cb 0.16 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 69.08 2c3m s THR 1005CO 0.68 0.12 1.04 -2.16 -0.69 0.00 0.00 174.62 173.61 2c3m s PRO 1006N 0.29 2.79 0.26 4.92 0.04 -1.26 -3.81 135.00 138.23 2c3m s PRO 1006Ca 0.59 0.27 -0.31 0.00 0.04 0.00 0.00 61.00 61.60 2c3m s PRO 1006Cb -0.37 -2.10 -0.13 0.00 0.04 0.00 0.00 34.50 31.94 2c3m s PRO 1006CO 0.36 -0.98 1.39 2.41 0.04 0.00 0.00 177.00 180.22 2c3m n THR 1007N -2.90 1.10 -0.46 1.26 -1.04 -1.25 -2.40 114.28 108.60 2c3m n THR 1007Ca 0.06 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2c3m n THR 1007Cb 0.58 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 2c3m n THR 1007CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2c3m n GLY 1008N 1.96 1.71 3.75 3.41 0.00 0.35 -4.85 105.19 111.52 2c3m n GLY 1008Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2c3m n GLY 1008CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m s ALA 1009N -3.13 3.37 -0.16 4.61 0.00 -1.01 -4.46 121.76 120.98 2c3m s ALA 1009Ca 0.00 0.76 -0.16 0.00 0.00 0.00 0.00 51.96 52.56 2c3m s ALA 1009Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2c3m s ALA 1009CO 0.00 -0.00 0.40 0.08 0.00 0.00 0.00 175.76 176.24 2c3m s VAL 1010N -1.03 5.23 0.28 0.00 1.01 0.57 -1.00 120.40 125.45 2c3m s VAL 1010Ca 0.44 0.77 -0.17 0.00 0.00 0.00 0.00 61.98 63.01 2c3m s VAL 1010Cb -0.29 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.37 2c3m s VAL 1010CO 0.36 0.32 0.62 0.00 0.00 0.00 0.00 175.10 176.41 2c3m s ALA 1011N 0.79 -0.75 0.25 5.51 0.00 -1.00 -4.82 121.76 121.74 2c3m s ALA 1011Ca 0.21 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 2c3m s ALA 1011Cb -0.14 0.93 -0.11 0.00 0.00 0.00 0.00 23.12 23.80 2c3m s ALA 1011CO 0.08 -0.96 1.55 0.15 0.00 0.00 0.00 175.76 176.58 2c3m s LYS 1012N -3.83 4.18 -0.06 0.00 -0.14 -0.82 -0.52 119.74 118.55 2c3m s LYS 1012Ca 0.16 2.46 0.00 0.00 -1.36 0.00 0.00 55.97 57.23 2c3m s LYS 1012Cb -0.04 -3.08 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 2c3m s LYS 1012CO 0.08 -0.57 0.00 1.19 -0.76 0.00 0.00 175.35 175.29 2c3m n PHE 1013N 2.70 0.00 -2.73 3.18 3.01 -1.26 -1.32 117.46 121.04 2c3m n PHE 1013Ca 0.09 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.52 2c3m n PHE 1013Cb 0.38 -0.47 0.08 0.00 -0.01 0.00 0.00 39.48 39.47 2c3m n PHE 1013CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2c3m n ALA 1014N 1.01 2.61 1.10 4.37 0.00 0.32 -4.92 120.51 125.00 2c3m n ALA 1014Ca -0.01 -2.03 0.08 0.00 0.00 0.00 0.00 53.44 51.48 2c3m n ALA 1014Cb 0.10 -0.89 0.50 0.00 0.00 0.00 0.00 19.45 19.15 2c3m n ALA 1014CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c3m n ALA 1015N -0.80 2.15 -0.85 0.00 0.00 -0.95 -1.59 120.51 118.46 2c3m n ALA 1015Ca -0.02 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.35 2c3m n ALA 1015Cb 0.84 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 19.06 2c3m n ALA 1015CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c3m n ALA 1016N -0.97 1.92 -0.05 0.00 0.00 -1.26 -4.95 120.51 115.19 2c3m n ALA 1016Ca 0.13 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 52.10 2c3m n ALA 1016Cb 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.30 2c3m n ALA 1016CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3m n GLY 1017N -0.65 0.29 3.69 0.00 0.00 -0.62 -4.96 105.19 102.93 2c3m n GLY 1017Ca 0.05 -1.20 -0.44 0.00 0.00 0.00 0.00 46.02 44.43 2c3m n GLY 1017CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2c3m n LYS 1018N 2.17 2.27 -0.36 1.61 4.81 -0.17 -4.61 118.16 123.87 2c3m n LYS 1018Ca 0.00 0.81 0.12 0.00 -0.87 0.00 0.00 58.31 58.37 2c3m n LYS 1018Cb 0.00 -2.54 0.32 0.00 0.02 0.00 0.00 35.03 32.82 2c3m n LYS 1018CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2c3m n ARG 1019N 2.66 2.73 -4.45 1.64 5.12 -1.26 -0.50 116.66 122.59 2c3m n ARG 1019Ca 0.13 -2.65 -0.23 0.00 -1.93 0.00 0.00 57.85 53.17 2c3m n ARG 1019Cb 0.32 -1.56 -0.13 0.00 -1.16 0.00 0.00 32.46 29.92 2c3m n ARG 1019CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2c3m s THR 1020N -1.01 1.46 0.95 0.55 -4.23 -1.26 -5.03 115.64 107.07 2c3m s THR 1020Ca 0.48 -1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 59.67 2c3m s THR 1020Cb 0.25 -1.30 0.16 0.00 1.34 0.00 0.00 72.50 72.95 2c3m s THR 1020CO 0.33 0.07 1.11 -0.83 -0.54 0.00 0.00 174.62 174.76 2c3m s GLY 1021N -1.33 1.57 0.21 3.99 0.00 -1.26 -3.83 107.32 106.67 2c3m s GLY 1021Ca 0.05 -0.42 -0.30 0.00 0.00 0.00 0.00 44.72 44.04 2c3m s GLY 1021CO 0.02 0.16 1.45 1.25 0.00 0.00 0.00 173.10 175.98 2c3m s LYS 1022N -5.11 4.28 0.30 2.90 2.20 -1.25 -4.80 119.74 118.26 2c3m s LYS 1022Ca 0.64 2.26 -0.29 0.00 -0.36 0.00 0.00 55.97 58.22 2c3m s LYS 1022Cb -0.17 -3.14 -0.10 0.00 -1.51 0.00 0.00 37.83 32.91 2c3m s LYS 1022CO 0.56 -0.44 1.39 0.21 -0.36 0.00 0.00 175.35 176.71 2c3m s LYS 1023N 0.15 4.28 -1.19 4.03 2.20 0.02 -4.92 119.74 124.31 2c3m s LYS 1023Ca 0.62 2.30 -0.10 0.00 -0.36 0.00 0.00 55.97 58.42 2c3m s LYS 1023Cb -0.41 -3.08 0.21 0.00 -1.51 0.00 0.00 37.83 33.04 2c3m s LYS 1023CO 0.39 -0.34 1.49 -3.47 -0.36 0.00 0.00 175.35 173.05 2c3m n ASP 1024N 1.52 5.42 -0.23 1.43 -0.08 -1.26 -4.82 116.55 118.52 2c3m n ASP 1024Ca 0.03 -3.08 -0.03 0.00 -1.51 0.00 0.00 54.79 50.20 2c3m n ASP 1024Cb 0.41 -1.47 0.08 0.00 2.34 0.00 0.00 41.12 42.48 2c3m n ASP 1024CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2c3m h LEU 1025N 8.04 0.64 -0.05 -2.67 5.85 -1.97 -2.28 115.31 122.87 2c3m h LEU 1025Ca 0.29 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.05 2c3m h LEU 1025Cb 0.78 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2c3m h LEU 1025CO 1.30 0.44 -0.14 0.00 -0.34 0.00 0.00 178.44 179.70 2c3m h ALA 1026N 1.30 -0.12 -0.02 1.25 0.00 -2.00 -1.77 119.26 117.90 2c3m h ALA 1026Ca 0.27 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2c3m h ALA 1026Cb 0.06 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2c3m h ALA 1026CO -0.12 -0.62 -0.30 0.00 0.00 0.00 0.00 179.25 178.21 2c3m h ARG 1027N -0.21 0.04 -0.36 0.00 3.08 -1.95 -1.83 114.38 113.15 2c3m h ARG 1027Ca 0.06 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2c3m h ARG 1027Cb 0.30 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2c3m h ARG 1027CO -0.17 0.34 -0.00 0.52 -1.07 0.00 0.00 179.97 179.59 2c3m h MET 1028N 0.04 0.64 0.00 0.04 2.86 -0.96 -3.01 114.93 114.54 2c3m h MET 1028Ca 0.00 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.34 2c3m h MET 1028Cb 0.56 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2c3m h MET 1028CO 0.04 0.75 -0.45 0.28 1.06 0.00 0.00 176.91 178.59 2c3m h VAL 1029N 0.45 1.12 0.00 -2.22 2.07 -1.08 -2.91 116.25 113.69 2c3m h VAL 1029Ca 0.10 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2c3m h VAL 1029Cb 0.46 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2c3m h VAL 1029CO 0.02 0.44 0.00 0.24 0.02 0.00 0.00 177.57 178.29 2c3m h MET 1030N 0.00 0.00 0.00 1.57 2.07 -1.20 -2.75 114.93 114.62 2c3m h MET 1030Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2c3m h MET 1030Cb 0.91 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.64 2c3m h MET 1030CO 0.06 0.00 0.00 1.79 1.07 0.00 0.00 176.91 179.83 2c3m h THR 1031N 0.00 0.00 -0.26 2.22 1.35 -1.47 -2.54 112.91 112.21 2c3m h THR 1031Ca 0.00 -0.22 -0.19 0.00 -0.55 0.00 0.00 66.41 65.45 2c3m h THR 1031Cb 0.40 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2c3m h THR 1031CO 0.00 0.00 -0.57 1.88 -0.25 0.00 0.00 175.52 176.58 2c3m h TYR 1032N 0.00 1.03 0.00 4.73 0.05 -1.69 -3.47 116.97 117.62 2c3m h TYR 1032Ca 0.00 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.40 2c3m h TYR 1032Cb 0.27 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.82 2c3m h TYR 1032CO 0.00 1.20 0.00 0.41 -1.05 0.00 0.00 178.16 178.72 2c3m n GLY 1033N 0.39 3.00 0.76 3.88 0.00 -0.96 -4.79 105.19 107.47 2c3m n GLY 1033Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.05 2c3m n GLY 1033CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2c3m n TYR 1034N -1.25 0.70 -4.75 1.61 0.18 -1.26 -4.58 117.16 107.81 2c3m n TYR 1034Ca 0.00 -0.69 -0.33 0.00 1.88 0.00 0.00 57.90 58.76 2c3m n TYR 1034Cb 0.00 -0.17 -0.14 0.00 -0.38 0.00 0.00 39.34 38.65 2c3m n TYR 1034CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2c3m s VAL 1035N -1.91 3.18 -0.04 -3.48 1.01 -1.26 -4.51 120.40 113.40 2c3m s VAL 1035Ca 0.32 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 2c3m s VAL 1035Cb 0.23 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 2c3m s VAL 1035CO 0.12 0.54 0.99 -0.47 0.00 0.00 0.00 175.10 176.28 2c3m s TYR 1036N 0.08 3.60 -0.02 5.22 5.04 -0.28 -4.67 117.35 126.32 2c3m s TYR 1036Ca -0.05 1.66 0.03 0.00 -2.44 0.00 0.00 57.07 56.27 2c3m s TYR 1036Cb -0.14 -3.15 -0.00 0.00 0.35 0.00 0.00 41.96 39.01 2c3m s TYR 1036CO 0.04 -0.11 -0.11 0.08 -1.34 0.00 0.00 175.55 174.12 2c3m s VAL 1037N 1.38 0.88 0.10 3.14 1.01 -0.76 0.08 120.40 126.24 2c3m s VAL 1037Ca 0.51 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 2c3m s VAL 1037Cb -0.20 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.45 2c3m s VAL 1037CO 0.24 0.26 0.40 0.00 0.00 0.00 0.00 175.10 176.01 2c3m s ALA 1038N 0.03 -0.94 0.05 5.51 0.00 -0.47 0.51 121.76 126.45 2c3m s ALA 1038Ca -0.01 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.07 2c3m s ALA 1038Cb -0.07 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 2c3m s ALA 1038CO 0.00 -0.59 -0.23 0.95 0.00 0.00 0.00 175.76 175.90 2c3m s THR 1039N -3.44 1.82 0.13 0.00 -4.23 -0.74 -1.31 115.64 107.88 2c3m s THR 1039Ca 0.01 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 2c3m s THR 1039Cb 0.01 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.23 2c3m s THR 1039CO -0.09 0.22 0.00 0.68 -0.54 0.00 0.00 174.62 174.89 2c3m s VAL 1040N -0.84 0.46 -0.29 2.29 -7.23 -0.49 -4.00 120.40 110.30 2c3m s VAL 1040Ca 0.09 -1.93 0.05 0.00 -1.81 0.00 0.00 61.98 58.38 2c3m s VAL 1040Cb -0.09 -1.94 0.19 0.00 0.56 0.00 0.00 36.38 35.10 2c3m s VAL 1040CO 0.02 -0.61 0.57 -0.55 -0.31 0.00 0.00 175.10 174.22 2c3m s SER 1041N -3.08 -1.36 0.27 4.85 0.15 -1.26 -2.29 113.70 110.98 2c3m s SER 1041Ca 0.20 0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.94 2c3m s SER 1041Cb 0.07 1.91 0.59 0.00 -1.71 0.00 0.00 66.02 66.88 2c3m s SER 1041CO 0.00 -0.31 1.67 -0.03 1.20 0.00 0.00 173.24 175.77 2c3m h MET 1042N 8.02 0.24 0.00 5.44 4.05 -1.87 -0.77 114.93 130.03 2c3m h MET 1042Ca -0.02 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2c3m h MET 1042Cb 1.18 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.92 2c3m h MET 1042CO 0.17 0.16 -0.07 0.78 0.23 0.00 0.00 176.91 178.18 2c3m h GLY 1043N 0.25 0.00 0.59 1.39 0.00 -1.85 -3.03 103.07 100.42 2c3m h GLY 1043Ca 0.49 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.56 2c3m h GLY 1043CO -0.59 0.00 -1.32 -1.82 0.00 0.00 0.00 176.54 172.82 2c3m h TYR 1044N 0.00 0.47 -1.40 5.60 3.20 -1.34 -3.36 116.97 120.13 2c3m h TYR 1044Ca -0.00 -0.34 0.06 0.00 3.14 0.00 0.00 58.73 61.59 2c3m h TYR 1044Cb 0.15 -0.02 -0.22 0.00 1.54 0.00 0.00 36.73 38.19 2c3m h TYR 1044CO 0.00 1.51 -0.25 0.45 -1.64 0.00 0.00 178.16 178.23 2c3m s SER 1045N -7.03 -1.15 0.20 -2.11 0.15 -0.93 -5.00 113.70 97.82 2c3m s SER 1045Ca -0.19 1.02 0.03 0.00 0.70 0.00 0.00 55.95 57.51 2c3m s SER 1045Cb 0.04 2.09 0.11 0.00 -1.71 0.00 0.00 66.02 66.54 2c3m s SER 1045CO 0.78 -0.25 1.46 0.11 1.20 0.00 0.00 173.24 176.54 2c3m h LYS 1046N 8.02 0.23 -0.42 5.44 1.57 -1.83 -2.91 116.57 126.67 2c3m h LYS 1046Ca -0.21 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 2c3m h LYS 1046Cb 1.14 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 2c3m h LYS 1046CO 0.21 0.87 0.08 1.96 -0.57 0.00 0.00 179.45 182.01 2c3m h GLN 1047N 0.15 0.68 -0.46 3.15 4.20 -1.94 -0.88 115.11 120.01 2c3m h GLN 1047Ca -0.03 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 2c3m h GLN 1047Cb 1.32 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 2c3m h GLN 1047CO 0.12 0.71 0.10 0.37 -0.67 0.00 0.00 178.83 179.46 2c3m h GLN 1048N 0.54 0.70 -0.05 1.46 -0.00 -1.96 -0.21 115.11 115.59 2c3m h GLN 1048Ca 0.13 -0.14 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2c3m h GLN 1048Cb 0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.72 2c3m h GLN 1048CO 0.01 0.65 0.02 0.35 0.00 0.00 0.00 178.83 179.85 2c3m h PHE 1049N 0.68 0.09 -0.58 3.99 3.57 -1.27 -0.69 116.94 122.72 2c3m h PHE 1049Ca 0.15 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2c3m h PHE 1049Cb 0.28 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2c3m h PHE 1049CO 0.01 0.25 0.24 -0.07 -2.23 0.00 0.00 178.31 176.51 2c3m h LEU 1050N -0.10 0.76 -0.31 0.59 3.38 -0.86 -1.47 115.31 117.30 2c3m h LEU 1050Ca 0.02 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2c3m h LEU 1050Cb 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2c3m h LEU 1050CO -0.00 0.68 0.05 0.50 0.09 0.00 0.00 178.44 179.76 2c3m h LYS 1051N 0.83 0.51 -0.68 1.13 3.64 -0.82 -2.26 116.57 118.92 2c3m h LYS 1051Ca 0.20 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2c3m h LYS 1051Cb 0.15 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2c3m h LYS 1051CO -0.02 0.60 0.43 0.28 -2.27 0.00 0.00 179.45 178.47 2c3m h VAL 1052N 0.33 1.19 -0.27 2.00 2.07 -0.79 -0.76 116.25 120.03 2c3m h VAL 1052Ca 0.09 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2c3m h VAL 1052Cb 0.33 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2c3m h VAL 1052CO 0.01 0.19 0.09 -0.07 0.02 0.00 0.00 177.57 177.80 2c3m h LEU 1053N 0.92 0.11 -0.36 2.57 3.38 -1.07 0.35 115.31 121.21 2c3m h LEU 1053Ca 0.25 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 2c3m h LEU 1053Cb -0.07 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2c3m h LEU 1053CO -0.05 0.10 0.08 0.11 0.09 0.00 0.00 178.44 178.76 2c3m h LYS 1054N 0.22 0.59 -0.29 1.13 1.79 -1.16 -1.62 116.57 117.21 2c3m h LYS 1054Ca 0.12 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 2c3m h LYS 1054Cb 0.08 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2c3m h LYS 1054CO -0.12 0.64 0.01 0.93 -1.08 0.00 0.00 179.45 179.83 2c3m h GLU 1055N 0.43 0.51 -0.10 3.15 5.08 -0.85 -1.54 114.58 121.26 2c3m h GLU 1055Ca 0.11 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2c3m h GLU 1055Cb 0.32 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2c3m h GLU 1055CO 0.00 0.65 0.04 0.00 -1.00 0.00 0.00 179.01 178.71 2c3m h ALA 1056N 0.84 0.13 -0.68 3.43 0.00 -0.30 -1.62 119.26 121.06 2c3m h ALA 1056Ca 0.08 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2c3m h ALA 1056Cb 0.42 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2c3m h ALA 1056CO 0.01 -0.29 0.12 1.49 0.00 0.00 0.00 179.25 180.58 2c3m h GLU 1057N 0.01 1.13 0.00 0.00 4.22 -1.31 -2.74 114.58 115.89 2c3m h GLU 1057Ca 0.03 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.17 2c3m h GLU 1057Cb 0.16 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2c3m h GLU 1057CO -0.00 1.02 0.00 0.66 -2.18 0.00 0.00 179.01 178.51 2c3m h SER 1058N 1.06 0.00 -2.46 1.04 4.64 -1.22 -3.44 113.55 113.16 2c3m h SER 1058Ca 0.21 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.99 2c3m h SER 1058Cb 0.44 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2c3m h SER 1058CO 0.01 0.00 1.18 0.12 -0.87 0.00 0.00 176.83 177.28 2c3m s PHE 1059N -3.30 1.56 -1.39 4.77 5.36 -0.62 -4.85 117.98 119.51 2c3m s PHE 1059Ca 0.06 -0.16 -0.13 0.00 -0.96 0.00 0.00 56.93 55.74 2c3m s PHE 1059Cb 0.09 -4.11 -0.03 0.00 -0.34 0.00 0.00 43.02 38.63 2c3m s PHE 1059CO 0.54 -4.82 2.44 -0.35 -1.46 0.00 0.00 175.22 171.57 2c3m n PRO 1060N 7.43 2.92 -3.26 10.12 -0.04 -1.26 -4.72 135.00 146.19 2c3m n PRO 1060Ca 0.19 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 2c3m n PRO 1060Cb 0.42 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 2c3m n PRO 1060CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c3m n GLY 1061N 3.94 -1.30 3.76 0.55 0.00 -1.26 -4.82 105.19 106.06 2c3m n GLY 1061Ca 0.60 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 2c3m n GLY 1061CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2c3m s PRO 1062N -0.62 4.44 -0.02 1.61 0.02 -0.27 -3.77 135.00 136.39 2c3m s PRO 1062Ca 0.00 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.12 2c3m s PRO 1062Cb 0.00 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.40 2c3m s PRO 1062CO 0.00 -0.10 -0.08 -1.12 -0.33 0.00 0.00 177.00 175.37 2c3m s SER 1063N -0.44 1.09 -0.12 2.53 0.01 -0.77 -1.12 113.70 114.89 2c3m s SER 1063Ca 0.49 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.60 2c3m s SER 1063Cb -0.37 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.59 2c3m s SER 1063CO 0.47 0.06 -0.13 -0.22 0.41 0.00 0.00 173.24 173.82 2c3m s LEU 1064N 0.19 1.62 -0.09 2.44 2.96 0.11 -0.50 118.68 125.42 2c3m s LEU 1064Ca -0.03 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2c3m s LEU 1064Cb -0.08 -1.05 0.01 0.00 0.50 0.00 0.00 46.19 45.57 2c3m s LEU 1064CO 0.00 -0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.17 2c3m s VAL 1065N 1.20 1.42 -0.20 1.68 1.01 0.25 -1.37 120.40 124.41 2c3m s VAL 1065Ca -0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 2c3m s VAL 1065Cb -0.14 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2c3m s VAL 1065CO -0.04 0.42 -0.12 -0.63 0.00 0.00 0.00 175.10 174.73 2c3m s ILE 1066N 0.77 2.80 -0.01 2.22 1.01 -0.42 -0.04 121.20 127.52 2c3m s ILE 1066Ca -0.12 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2c3m s ILE 1066Cb -0.16 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2c3m s ILE 1066CO 0.02 0.48 0.05 0.00 0.00 0.00 0.00 174.94 175.49 2c3m s ALA 1067N 1.32 3.48 -0.40 9.38 0.00 0.46 -1.39 121.76 134.61 2c3m s ALA 1067Ca 0.04 -0.89 -0.27 0.00 0.00 0.00 0.00 51.96 50.84 2c3m s ALA 1067Cb -0.14 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.50 2c3m s ALA 1067CO -0.07 0.67 1.00 -0.47 0.00 0.00 0.00 175.76 176.90 2c3m s TYR 1068N -1.15 3.00 -0.23 0.00 5.04 -0.97 -1.40 117.35 121.64 2c3m s TYR 1068Ca 0.21 0.77 -0.04 0.00 -2.44 0.00 0.00 57.07 55.57 2c3m s TYR 1068Cb -0.12 -3.90 -0.01 0.00 0.35 0.00 0.00 41.96 38.29 2c3m s TYR 1068CO 0.12 -0.97 -0.02 0.00 -1.34 0.00 0.00 175.55 173.34 2c3m s ALA 1069N 3.78 2.86 0.64 3.97 0.00 -0.44 -4.79 121.76 127.78 2c3m s ALA 1069Ca 0.42 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 2c3m s ALA 1069Cb -0.11 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2c3m s ALA 1069CO 0.22 -0.51 1.07 0.95 0.00 0.00 0.00 175.76 177.50 2c3m s THR 1070N 1.48 3.68 -0.04 0.00 -4.23 -1.26 -4.14 115.64 111.13 2c3m s THR 1070Ca 0.05 0.73 -0.20 0.00 -1.18 0.00 0.00 61.69 61.09 2c3m s THR 1070Cb -0.15 -3.29 0.04 0.00 1.34 0.00 0.00 72.50 70.45 2c3m s THR 1070CO -0.02 -0.53 0.44 0.00 -0.54 0.00 0.00 174.62 173.96 2c3m h ILE 1072N 3.64 0.60 0.00 0.00 3.07 -1.95 -0.83 117.51 122.04 2c3m h ILE 1072Ca -0.29 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.10 2c3m h ILE 1072Cb 1.17 0.90 -0.00 0.00 -0.27 0.00 0.00 36.82 38.61 2c3m h ILE 1072CO 0.38 0.00 -0.10 0.78 -1.05 0.00 0.00 178.15 178.16 2c3m h ASN 1073N 0.00 0.00 1.12 2.16 -0.26 -1.96 -2.19 115.58 114.45 2c3m h ASN 1073Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 2c3m h ASN 1073Cb 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.58 2c3m h ASN 1073CO -0.00 0.10 0.00 1.56 -1.06 0.00 0.00 177.43 178.03 2c3m h GLN 1074N 0.00 0.00 -4.07 0.81 4.20 -1.50 -3.43 115.11 111.12 2c3m h GLN 1074Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 2c3m h GLN 1074Cb 0.20 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.08 2c3m h GLN 1074CO 0.01 0.00 -0.44 0.41 -0.67 0.00 0.00 178.83 178.14 2c3m n GLY 1075N 0.35 -0.00 3.66 3.46 0.00 -0.82 -2.16 105.19 109.67 2c3m n GLY 1075Ca 0.02 -0.14 -0.47 0.00 0.00 0.00 0.00 46.02 45.44 2c3m n GLY 1075CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c3m n LEU 1076N -2.92 3.52 0.27 0.99 4.77 -1.26 -0.53 117.00 121.84 2c3m n LEU 1076Ca -0.12 0.86 0.14 0.00 -0.03 0.00 0.00 56.01 56.86 2c3m n LEU 1076Cb 0.58 -1.41 0.77 0.00 -2.33 0.00 0.00 43.42 41.03 2c3m n LEU 1076CO 0.36 -0.09 1.00 0.03 -1.33 0.00 0.00 177.39 177.36 2c3m h ARG 1077N 10.21 0.00 -0.28 3.23 3.08 -1.68 -2.89 114.38 126.05 2c3m h ARG 1077Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2c3m h ARG 1077Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2c3m h ARG 1077CO 0.95 0.09 0.00 1.63 -1.07 0.00 0.00 179.97 181.57 2c3m n LYS 1078N -3.49 2.09 0.00 0.04 5.02 -1.26 -5.08 118.16 115.48 2c3m n LYS 1078Ca -0.02 -1.88 0.00 0.00 -2.02 0.00 0.00 58.31 54.40 2c3m n LYS 1078Cb 0.23 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2c3m n LYS 1078CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3m n GLY 1079N 0.84 2.98 0.03 0.72 0.00 -1.09 -4.76 105.19 103.91 2c3m n GLY 1079Ca 0.13 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.38 2c3m n GLY 1079CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2c3m n MET 1080N -0.08 0.04 0.00 1.61 2.81 -1.26 -1.83 117.12 118.40 2c3m n MET 1080Ca 0.00 0.29 0.09 0.00 -1.81 0.00 0.00 57.70 56.27 2c3m n MET 1080Cb 0.00 -1.58 0.45 0.00 -0.71 0.00 0.00 33.22 31.39 2c3m n MET 1080CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c3m n GLY 1081N -0.03 -0.82 1.08 3.03 0.00 -1.22 -1.39 105.19 105.85 2c3m n GLY 1081Ca 0.03 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2c3m n GLY 1081CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c3m n LYS 1082N -1.25 2.69 -0.20 1.61 4.76 -0.76 -3.79 118.16 121.23 2c3m n LYS 1082Ca 0.09 -2.39 0.01 0.00 -2.87 0.00 0.00 58.31 53.14 2c3m n LYS 1082Cb 0.13 -1.46 0.10 0.00 -1.84 0.00 0.00 35.03 31.96 2c3m n LYS 1082CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2c3m h SER 1083N 3.54 -0.20 -0.71 4.39 0.02 -1.41 0.21 113.55 119.39 2c3m h SER 1083Ca 0.00 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2c3m h SER 1083Cb 0.89 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 2c3m h SER 1083CO 0.00 -0.08 0.29 1.56 -1.14 0.00 0.00 176.83 177.46 2c3m h GLN 1084N 0.15 1.06 -0.45 3.45 1.08 -1.84 0.92 115.11 119.49 2c3m h GLN 1084Ca 0.31 -0.19 -0.10 0.00 -1.45 0.00 0.00 58.65 57.23 2c3m h GLN 1084Cb 0.50 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2c3m h GLN 1084CO -0.48 0.87 -0.11 0.22 -0.95 0.00 0.00 178.83 178.38 2c3m h ASP 1085N 1.02 0.80 -0.46 1.46 3.58 -1.60 -0.17 116.42 121.06 2c3m h ASP 1085Ca 0.24 -0.24 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2c3m h ASP 1085Cb 0.20 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2c3m h ASP 1085CO -0.02 0.93 -0.15 0.58 -2.88 0.00 0.00 179.24 177.70 2c3m h VAL 1086N 0.73 1.27 -0.71 2.25 2.07 -0.18 0.20 116.25 121.88 2c3m h VAL 1086Ca 0.12 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 2c3m h VAL 1086Cb 0.60 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2c3m h VAL 1086CO 0.04 0.45 0.21 0.24 0.02 0.00 0.00 177.57 178.53 2c3m h MET 1087N 0.83 1.11 0.12 1.57 2.86 -0.50 0.15 114.93 121.08 2c3m h MET 1087Ca 0.12 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2c3m h MET 1087Cb 0.70 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2c3m h MET 1087CO 0.05 0.96 -0.06 -0.97 1.06 0.00 0.00 176.91 177.95 2c3m h ASN 1088N 1.05 -0.14 0.07 1.22 -0.00 -0.62 -2.79 115.58 114.37 2c3m h ASN 1088Ca 0.23 -0.10 -0.06 0.00 -0.00 0.00 0.00 56.30 56.38 2c3m h ASN 1088Cb 0.32 0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.66 2c3m h ASN 1088CO -0.01 0.01 -0.17 0.74 -0.00 0.00 0.00 177.43 178.00 2c3m h THR 1089N -0.28 1.19 -1.00 -3.57 2.02 -0.79 -1.82 112.91 108.67 2c3m h THR 1089Ca -0.02 -0.88 0.11 0.00 0.77 0.00 0.00 66.41 66.39 2c3m h THR 1089Cb 0.22 1.29 -0.08 0.00 -1.74 0.00 0.00 68.15 67.84 2c3m h THR 1089CO 0.03 0.27 0.63 0.00 0.37 0.00 0.00 175.52 176.82 2c3m h ALA 1090N 1.62 1.49 0.04 6.16 0.00 -0.42 0.24 119.26 128.38 2c3m h ALA 1090Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2c3m h ALA 1090Cb 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2c3m h ALA 1090CO 0.03 0.26 -0.02 0.28 0.00 0.00 0.00 179.25 179.79 2c3m h VAL 1091N 1.02 1.07 -0.91 0.00 2.07 -1.27 0.24 116.25 118.46 2c3m h VAL 1091Ca 0.49 -1.64 0.15 0.00 0.82 0.00 0.00 66.70 66.51 2c3m h VAL 1091Cb 0.44 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 2c3m h VAL 1091CO -0.25 0.34 0.58 0.11 0.02 0.00 0.00 177.57 178.37 2c3m h LYS 1092N -0.95 0.68 0.00 1.57 1.57 -1.19 0.25 116.57 118.50 2c3m h LYS 1092Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2c3m h LYS 1092Cb 0.60 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2c3m h LYS 1092CO 0.01 0.45 0.00 0.66 -0.57 0.00 0.00 179.45 180.00 2c3m h SER 1093N 0.70 0.00 0.00 0.86 4.64 -1.07 -1.83 113.55 116.84 2c3m h SER 1093Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2c3m h SER 1093Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2c3m h SER 1093CO -0.22 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.35 2c3m n GLY 1094N 0.05 1.00 0.20 -0.77 0.00 0.89 -4.16 105.19 102.40 2c3m n GLY 1094Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2c3m n GLY 1094CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2c3m h TYR 1095N 0.00 0.63 -2.90 1.61 3.20 -1.59 -3.36 116.97 114.57 2c3m h TYR 1095Ca 0.00 -0.06 -0.61 0.00 3.14 0.00 0.00 58.73 61.20 2c3m h TYR 1095Cb 0.00 -0.18 -0.41 0.00 1.54 0.00 0.00 36.73 37.68 2c3m h TYR 1095CO 0.00 0.58 -0.68 -0.46 -1.64 0.00 0.00 178.16 175.97 2c3m s TRP 1096N -5.44 2.94 0.42 -3.82 -0.11 0.77 -5.00 118.94 108.70 2c3m s TRP 1096Ca -0.13 -3.08 -0.25 0.00 1.22 0.00 0.00 56.10 53.86 2c3m s TRP 1096Cb 0.10 -2.24 -0.08 0.00 -1.50 0.00 0.00 33.47 29.74 2c3m s TRP 1096CO 0.76 -0.62 1.19 -1.25 -4.62 0.00 0.00 176.95 172.41 2c3m s PRO 1097N -1.08 3.94 -0.12 5.86 0.04 -1.26 -4.02 135.00 138.36 2c3m s PRO 1097Ca 0.27 1.87 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 2c3m s PRO 1097Cb -0.02 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 2c3m s PRO 1097CO -0.18 -0.43 0.10 -0.51 0.04 0.00 0.00 177.00 176.02 2c3m s LEU 1098N -2.65 4.11 0.22 -3.56 1.43 -1.26 -4.86 118.68 112.11 2c3m s LEU 1098Ca 0.59 0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 53.81 2c3m s LEU 1098Cb -0.31 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 43.95 2c3m s LEU 1098CO 0.39 0.36 0.65 0.72 0.23 0.00 0.00 176.35 178.70 2c3m s PHE 1099N -0.75 -0.35 -0.04 0.29 -0.12 -1.26 -0.23 117.98 115.54 2c3m s PHE 1099Ca 0.13 0.01 -0.00 0.00 -0.05 0.00 0.00 56.93 57.02 2c3m s PHE 1099Cb -0.12 0.62 0.03 0.00 -0.63 0.00 0.00 43.02 42.92 2c3m s PHE 1099CO 0.03 -1.03 0.01 1.03 -0.05 0.00 0.00 175.22 175.20 2c3m s ARG 1100N -3.84 0.26 -0.34 1.99 0.52 -0.06 -1.79 118.95 115.70 2c3m s ARG 1100Ca 0.06 0.13 -0.06 0.00 -0.52 0.00 0.00 55.73 55.34 2c3m s ARG 1100Cb -0.03 -0.53 0.05 0.00 0.52 0.00 0.00 34.95 34.96 2c3m s ARG 1100CO -0.03 -0.18 0.10 -0.47 0.02 0.00 0.00 175.30 174.74 2c3m s TYR 1101N 1.29 3.28 -0.32 -0.53 5.04 0.18 -0.67 117.35 125.62 2c3m s TYR 1101Ca -0.06 -1.55 0.00 0.00 -2.44 0.00 0.00 57.07 53.03 2c3m s TYR 1101Cb -0.13 -2.34 0.08 0.00 0.35 0.00 0.00 41.96 39.92 2c3m s TYR 1101CO -0.02 -0.76 0.03 0.34 -1.34 0.00 0.00 175.55 173.80 2c3m s ASP 1102N 1.45 4.85 0.52 4.32 -1.08 -0.02 -1.83 116.67 124.88 2c3m s ASP 1102Ca -0.01 -1.68 0.25 0.00 -0.52 0.00 0.00 52.55 50.59 2c3m s ASP 1102Cb -0.20 -1.68 1.38 0.00 -1.46 0.00 0.00 42.92 40.95 2c3m s ASP 1102CO 0.02 -0.34 1.97 -0.65 0.52 0.00 0.00 175.17 176.69 2c3m h PRO 1103N 7.87 0.04 0.00 4.34 0.11 -1.83 -1.02 132.00 141.51 2c3m h PRO 1103Ca -0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2c3m h PRO 1103Cb 1.04 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2c3m h PRO 1103CO 0.55 0.03 0.00 0.07 -0.21 0.00 0.00 178.00 178.44 2c3m h ARG 1104N 0.04 0.00 -0.18 1.05 0.11 -1.94 -1.84 114.38 111.62 2c3m h ARG 1104Ca 0.29 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.18 2c3m h ARG 1104Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2c3m h ARG 1104CO -0.02 0.00 -0.67 -0.07 0.10 0.00 0.00 179.97 179.32 2c3m h LEU 1105N 0.00 0.78 -1.34 0.08 3.38 -1.48 -2.76 115.31 113.97 2c3m h LEU 1105Ca 0.00 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 2c3m h LEU 1105Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2c3m h LEU 1105CO 0.00 1.24 -0.22 0.00 0.09 0.00 0.00 178.44 179.55 2c3m h ALA 1106N 0.76 1.45 0.00 1.53 0.00 -1.09 0.14 119.26 122.05 2c3m h ALA 1106Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2c3m h ALA 1106Cb 1.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2c3m h ALA 1106CO 0.13 0.39 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 2c3m h ALA 1107N 1.63 1.01 -0.53 0.00 0.00 -1.17 -1.77 119.26 118.43 2c3m h ALA 1107Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c3m h ALA 1107Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2c3m h ALA 1107CO 0.03 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.36 2c3m n GLN 1108N -3.14 2.39 -1.03 0.00 6.02 -0.38 -4.83 117.38 116.41 2c3m n GLN 1108Ca 0.00 -2.15 -0.01 0.00 -0.01 0.00 0.00 57.00 54.84 2c3m n GLN 1108Cb 0.32 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 30.09 2c3m n GLN 1108CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2c3m n GLY 1109N 1.46 0.48 3.66 1.08 0.00 -0.67 -5.04 105.19 106.17 2c3m n GLY 1109Ca 0.20 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 2c3m n GLY 1109CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3m s LYS 1110N -1.69 2.37 0.02 1.61 1.02 0.33 -4.98 119.74 118.43 2c3m s LYS 1110Ca 0.00 -1.34 -0.30 0.00 0.02 0.00 0.00 55.97 54.35 2c3m s LYS 1110Cb 0.00 -2.23 -0.07 0.00 -0.52 0.00 0.00 37.83 35.01 2c3m s LYS 1110CO 0.00 0.38 1.70 1.21 -0.92 0.00 0.00 175.35 177.72 2c3m s ASN 1111N -3.59 6.60 0.39 2.83 2.47 -1.26 -2.60 114.94 119.78 2c3m s ASN 1111Ca 0.31 2.42 0.17 0.00 0.42 0.00 0.00 52.86 56.19 2c3m s ASN 1111Cb -0.07 -2.55 0.79 0.00 -1.45 0.00 0.00 41.25 37.98 2c3m s ASN 1111CO 0.20 -0.92 1.81 1.55 -3.72 0.00 0.00 177.10 176.02 2c3m h PRO 1112N 9.09 0.00 -6.01 0.43 0.13 -1.86 -3.44 132.00 130.34 2c3m h PRO 1112Ca -0.42 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.14 2c3m h PRO 1112Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2c3m h PRO 1112CO 0.94 0.35 0.25 0.12 -0.23 0.00 0.00 178.00 179.43 2c3m s PHE 1113N -3.89 3.51 -0.09 1.56 5.36 -1.26 -0.84 117.98 122.33 2c3m s PHE 1113Ca -0.01 1.28 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 2c3m s PHE 1113Cb 0.13 -2.93 0.02 0.00 -0.34 0.00 0.00 43.02 39.90 2c3m s PHE 1113CO 0.69 -0.08 -0.09 -0.65 -1.46 0.00 0.00 175.22 173.63 2c3m s GLN 1114N 1.46 1.50 -0.19 10.12 -0.21 0.16 -4.57 119.66 127.93 2c3m s GLN 1114Ca 0.39 -0.29 -0.21 0.00 0.02 0.00 0.00 55.36 55.26 2c3m s GLN 1114Cb -0.17 -1.44 -0.02 0.00 1.00 0.00 0.00 33.01 32.37 2c3m s GLN 1114CO 0.16 -0.15 0.66 -1.17 -2.12 0.00 0.00 175.29 172.67 2c3m s LEU 1115N 1.27 4.15 0.00 2.90 0.20 -1.26 -0.88 118.68 125.06 2c3m s LEU 1115Ca -0.03 0.88 0.20 0.00 0.69 0.00 0.00 54.13 55.87 2c3m s LEU 1115Cb -0.14 -2.94 -0.15 0.00 -0.43 0.00 0.00 46.19 42.54 2c3m s LEU 1115CO -0.03 -0.29 0.90 0.47 -0.29 0.00 0.00 176.35 177.10 2c3m n ASP 1116N 5.07 1.26 -4.69 3.68 8.00 0.69 -4.97 116.55 125.58 2c3m n ASP 1116Ca -0.01 -1.13 -0.31 0.00 0.71 0.00 0.00 54.79 54.06 2c3m n ASP 1116Cb 0.50 0.83 -0.09 0.00 -0.02 0.00 0.00 41.12 42.33 2c3m n ASP 1116CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c3m s SER 1117N -2.68 4.00 0.39 -2.24 1.04 -1.09 -4.89 113.70 108.23 2c3m s SER 1117Ca 0.11 -1.52 0.08 0.00 0.48 0.00 0.00 55.95 55.09 2c3m s SER 1117Cb 0.15 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 2c3m s SER 1117CO 0.71 -0.66 0.41 -0.54 0.98 0.00 0.00 173.24 174.14 2c3m s LYS 1118N -3.80 2.71 0.48 4.02 1.02 -1.26 -4.90 119.74 118.01 2c3m s LYS 1118Ca 0.20 -1.35 -0.23 0.00 0.02 0.00 0.00 55.97 54.61 2c3m s LYS 1118Cb 0.06 -2.53 -0.09 0.00 -0.52 0.00 0.00 37.83 34.74 2c3m s LYS 1118CO 0.10 -0.10 1.00 0.00 -0.92 0.00 0.00 175.35 175.43 2c3m n ALA 1119N -1.57 0.23 -1.53 5.17 0.00 -1.26 -4.73 120.51 116.81 2c3m n ALA 1119Ca 0.03 0.16 -0.56 0.00 0.00 0.00 0.00 53.44 53.07 2c3m n ALA 1119Cb 0.60 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.89 2c3m n ALA 1119CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2c3m n PRO 1120N -0.17 0.47 -0.09 0.00 -0.02 -1.26 -4.83 135.00 129.10 2c3m n PRO 1120Ca 0.10 0.17 0.11 0.00 -2.02 0.00 0.00 63.50 61.87 2c3m n PRO 1120Cb 0.42 -1.72 0.34 0.00 -0.02 0.00 0.00 33.50 32.52 2c3m n PRO 1120CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2c3m n ASP 1121N 1.91 2.15 0.00 2.55 5.75 -0.69 -4.94 116.55 123.28 2c3m n ASP 1121Ca 0.19 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 2c3m n ASP 1121Cb 0.13 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 2c3m n ASP 1121CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c3m n GLY 1122N 1.24 0.68 0.87 6.12 0.00 -1.26 -4.94 105.19 107.89 2c3m n GLY 1122Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2c3m n GLY 1122CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c3m n SER 1123N 0.00 2.58 -0.30 1.61 3.41 -1.26 -4.47 113.62 115.19 2c3m n SER 1123Ca 0.00 -1.88 0.02 0.00 -0.26 0.00 0.00 58.87 56.75 2c3m n SER 1123Cb 0.00 -0.20 0.16 0.00 -0.26 0.00 0.00 64.21 63.90 2c3m n SER 1123CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 2c3m h VAL 1124N 3.28 0.96 -0.15 -3.33 3.04 -1.92 -0.58 116.25 117.55 2c3m h VAL 1124Ca 0.00 -0.30 0.04 0.00 -1.01 0.00 0.00 66.70 65.44 2c3m h VAL 1124Cb 0.73 0.03 -0.05 0.00 -2.01 0.00 0.00 31.29 29.98 2c3m h VAL 1124CO 0.00 0.16 -0.15 -0.08 -1.01 0.00 0.00 177.57 176.48 2c3m h GLU 1125N 0.86 -0.17 -0.72 4.17 4.57 -1.96 0.10 114.58 121.44 2c3m h GLU 1125Ca 0.39 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.53 2c3m h GLU 1125Cb 0.28 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 2c3m h GLU 1125CO -0.21 -0.12 0.24 0.93 -1.18 0.00 0.00 179.01 178.67 2c3m h GLU 1126N -0.18 1.10 -0.16 1.92 5.08 -1.79 -1.06 114.58 119.49 2c3m h GLU 1126Ca 0.10 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2c3m h GLU 1126Cb 0.33 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2c3m h GLU 1126CO -0.26 0.92 -0.12 0.35 -1.00 0.00 0.00 179.01 178.90 2c3m h PHE 1127N 1.06 -0.31 -0.26 4.33 3.57 -0.09 -1.39 116.94 123.84 2c3m h PHE 1127Ca 0.24 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 2c3m h PHE 1127Cb 0.27 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2c3m h PHE 1127CO 0.02 -0.19 0.00 -0.07 -2.23 0.00 0.00 178.31 175.85 2c3m h LEU 1128N -0.13 0.45 -0.26 0.59 3.38 -0.61 -3.01 115.31 115.72 2c3m h LEU 1128Ca 0.10 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2c3m h LEU 1128Cb 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2c3m h LEU 1128CO -0.24 0.65 0.00 0.23 0.09 0.00 0.00 178.44 179.17 2c3m n MET 1129N -4.62 0.06 -0.08 1.13 2.81 -0.42 -1.76 117.12 114.25 2c3m n MET 1129Ca -0.03 0.33 0.09 0.00 -1.81 0.00 0.00 57.70 56.28 2c3m n MET 1129Cb 0.24 -1.63 0.36 0.00 -0.71 0.00 0.00 33.22 31.49 2c3m n MET 1129CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c3m n ALA 1130N -1.59 2.52 -3.43 3.04 0.00 -0.54 -4.64 120.51 115.87 2c3m n ALA 1130Ca 0.03 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.74 2c3m n ALA 1130Cb 0.17 -1.10 -0.17 0.00 0.00 0.00 0.00 19.45 18.35 2c3m n ALA 1130CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2c3m s GLN 1131N -1.80 2.08 0.46 0.00 -0.21 -0.72 -1.69 119.66 117.78 2c3m s GLN 1131Ca 0.29 -0.54 0.14 0.00 0.02 0.00 0.00 55.36 55.27 2c3m s GLN 1131Cb 0.15 -1.68 1.09 0.00 1.00 0.00 0.00 33.01 33.58 2c3m s GLN 1131CO 0.23 0.05 2.06 -0.97 -2.12 0.00 0.00 175.29 174.54 2c3m h ASN 1132N 6.97 0.25 0.00 5.90 -1.24 -0.62 0.05 115.58 126.89 2c3m h ASN 1132Ca -0.28 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.73 2c3m h ASN 1132Cb 1.20 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.19 2c3m h ASN 1132CO 0.47 0.17 0.08 0.08 -1.29 0.00 0.00 177.43 176.95 2c3m h ARG 1133N 0.29 0.00 0.00 6.67 0.11 -1.69 0.95 114.38 120.71 2c3m h ARG 1133Ca 0.15 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.04 2c3m h ARG 1133Cb 0.24 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.28 2c3m h ARG 1133CO -0.03 0.00 -1.70 1.19 0.10 0.00 0.00 179.97 179.53 2c3m n PHE 1134N -2.72 0.00 0.01 4.08 3.01 -0.44 -0.32 117.46 121.08 2c3m n PHE 1134Ca -0.02 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.46 2c3m n PHE 1134Cb 0.13 -0.46 0.36 0.00 -0.01 0.00 0.00 39.48 39.50 2c3m n PHE 1134CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2c3m h ALA 1135N -0.15 1.53 -0.12 4.37 0.00 -0.71 -2.42 119.26 121.76 2c3m h ALA 1135Ca -0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2c3m h ALA 1135Cb 1.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2c3m h ALA 1135CO -0.09 0.36 -0.11 -0.24 0.00 0.00 0.00 179.25 179.16 2c3m h VAL 1136N 0.51 1.15 -0.09 0.00 3.04 -1.06 -1.96 116.25 117.83 2c3m h VAL 1136Ca 0.12 -0.67 -0.16 0.00 -1.01 0.00 0.00 66.70 64.98 2c3m h VAL 1136Cb 0.16 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2c3m h VAL 1136CO -0.01 0.21 -0.63 0.25 -1.01 0.00 0.00 177.57 176.37 2c3m h LEU 1137N 0.17 0.40 -1.31 3.16 5.85 -1.65 -2.46 115.31 119.47 2c3m h LEU 1137Ca 0.04 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 2c3m h LEU 1137Cb 0.32 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2c3m h LEU 1137CO 0.02 0.93 -0.34 -0.78 -0.34 0.00 0.00 178.44 177.92 2c3m h ASP 1138N 0.25 0.00 0.66 1.25 3.58 -1.25 0.38 116.42 121.29 2c3m h ASP 1138Ca -0.01 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.17 2c3m h ASP 1138Cb 1.17 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 2c3m h ASP 1138CO 0.11 0.34 -1.34 0.03 -2.88 0.00 0.00 179.24 175.50 2c3m h ARG 1139N 0.00 0.14 0.08 0.28 3.08 -1.31 -3.12 114.38 113.53 2c3m h ARG 1139Ca -0.00 -0.24 -0.35 0.00 0.07 0.00 0.00 59.98 59.46 2c3m h ARG 1139Cb 0.62 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 2c3m h ARG 1139CO 0.04 1.01 -1.98 0.43 -1.07 0.00 0.00 179.97 178.41 2c3m n SER 1140N -3.38 1.74 -3.20 7.04 7.64 -0.94 -4.67 113.62 117.86 2c3m n SER 1140Ca -0.10 0.22 -0.23 0.00 1.01 0.00 0.00 58.87 59.77 2c3m n SER 1140Cb 1.01 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 63.57 2c3m n SER 1140CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2c3m n PHE 1141N -3.33 -0.06 -0.35 1.43 3.01 0.13 -4.99 117.46 113.31 2c3m n PHE 1141Ca -0.29 -3.64 0.15 0.00 1.01 0.00 0.00 57.45 54.68 2c3m n PHE 1141Cb 1.05 -0.37 0.35 0.00 -0.01 0.00 0.00 39.48 40.50 2c3m n PHE 1141CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2c3m h PRO 1142N 3.82 0.66 0.57 -1.08 0.13 -1.58 0.86 132.00 135.38 2c3m h PRO 1142Ca 0.08 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 2c3m h PRO 1142Cb 0.88 -0.15 0.01 0.00 0.13 0.00 0.00 31.00 31.87 2c3m h PRO 1142CO 0.49 0.44 -0.27 1.49 -0.23 0.00 0.00 178.00 179.91 2c3m h GLU 1143N 0.68 -0.74 -0.62 0.86 4.57 -1.90 -1.16 114.58 116.26 2c3m h GLU 1143Ca 0.60 0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.77 2c3m h GLU 1143Cb 1.04 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.78 2c3m h GLU 1143CO -0.41 -0.46 0.16 -0.44 -1.18 0.00 0.00 179.01 176.67 2c3m h ASP 1144N -0.83 0.94 -0.78 1.04 3.45 -1.80 -2.91 116.42 115.52 2c3m h ASP 1144Ca -0.08 -0.23 0.04 0.00 0.43 0.00 0.00 57.03 57.19 2c3m h ASP 1144Cb 0.61 -0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 39.09 2c3m h ASP 1144CO 0.13 0.93 0.49 0.00 -1.57 0.00 0.00 179.24 179.21 2c3m h ALA 1145N 1.05 1.04 -0.34 3.45 0.00 -0.77 -0.40 119.26 123.28 2c3m h ALA 1145Ca 0.20 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2c3m h ALA 1145Cb 0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2c3m h ALA 1145CO 0.00 0.27 0.17 -0.22 0.00 0.00 0.00 179.25 179.47 2c3m h LYS 1146N 0.93 0.35 -0.19 0.00 3.64 -1.06 -0.28 116.57 119.96 2c3m h LYS 1146Ca 0.32 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 2c3m h LYS 1146Cb 0.07 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2c3m h LYS 1146CO -0.13 0.23 0.06 0.00 -2.27 0.00 0.00 179.45 177.34 2c3m h ARG 1147N 0.36 0.30 -0.22 1.90 3.08 -1.23 -2.36 114.38 116.21 2c3m h ARG 1147Ca 0.14 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 2c3m h ARG 1147Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2c3m h ARG 1147CO -0.10 0.41 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.00 2c3m h LEU 1148N 0.14 0.35 -0.46 3.04 3.38 -0.87 0.47 115.31 121.36 2c3m h LEU 1148Ca 0.06 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2c3m h LEU 1148Cb 0.24 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2c3m h LEU 1148CO -0.00 0.53 -0.62 0.03 0.09 0.00 0.00 178.44 178.47 2c3m h ARG 1149N 0.34 0.52 0.00 1.13 3.08 -1.00 -1.54 114.38 116.92 2c3m h ARG 1149Ca 0.06 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.65 2c3m h ARG 1149Cb 0.47 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2c3m h ARG 1149CO 0.03 0.98 -0.47 0.00 -1.07 0.00 0.00 179.97 179.44 2c3m h ALA 1150N 0.94 1.18 -0.26 0.04 0.00 -0.91 -2.25 119.26 118.00 2c3m h ALA 1150Ca -0.01 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 2c3m h ALA 1150Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2c3m h ALA 1150CO 0.11 0.59 -0.57 0.37 0.00 0.00 0.00 179.25 179.75 2c3m h GLN 1151N 0.00 0.81 -0.31 0.00 4.15 -0.60 -1.95 115.11 117.21 2c3m h GLN 1151Ca -0.00 -0.53 -0.00 0.00 0.77 0.00 0.00 58.65 58.89 2c3m h GLN 1151Cb 0.86 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 2c3m h GLN 1151CO 0.06 1.15 0.18 0.28 -1.93 0.00 0.00 178.83 178.58 2c3m h VAL 1152N 0.62 1.12 -0.78 2.39 2.07 -1.05 0.89 116.25 121.51 2c3m h VAL 1152Ca 0.01 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.24 2c3m h VAL 1152Cb 1.17 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2c3m h VAL 1152CO 0.12 0.12 0.52 0.00 0.02 0.00 0.00 177.57 178.35 2c3m h ALA 1153N 1.06 1.47 -0.24 1.67 0.00 -1.35 -1.12 119.26 120.75 2c3m h ALA 1153Ca 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2c3m h ALA 1153Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2c3m h ALA 1153CO -0.02 0.48 -0.13 1.25 0.00 0.00 0.00 179.25 180.83 2c3m h HIS 1154N 1.03 0.59 -0.36 0.00 6.17 -0.77 -2.06 115.15 119.75 2c3m h HIS 1154Ca 0.29 -0.15 0.04 0.00 0.71 0.00 0.00 60.37 61.27 2c3m h HIS 1154Cb -0.08 -0.13 -0.04 0.00 2.52 0.00 0.00 27.41 29.68 2c3m h HIS 1154CO -0.00 0.78 0.12 0.93 0.71 0.00 0.00 177.93 180.47 2c3m h GLU 1155N 0.22 0.25 0.00 5.26 5.08 -0.20 -1.57 114.58 123.62 2c3m h GLU 1155Ca 0.05 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 2c3m h GLU 1155Cb 0.64 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2c3m h GLU 1155CO 0.04 0.17 -0.52 1.37 -1.00 0.00 0.00 179.01 179.06 2c3m h LEU 1156N 0.26 0.00 0.11 1.33 8.10 -1.23 -0.44 115.31 123.44 2c3m h LEU 1156Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.15 2c3m h LEU 1156Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.37 2c3m h LEU 1156CO -0.18 0.52 -0.05 -0.78 -4.11 0.00 0.00 178.44 173.84 2c3m h ASP 1157N 0.00 -0.12 -0.47 0.17 3.58 -0.89 -0.90 116.42 117.79 2c3m h ASP 1157Ca -0.01 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 2c3m h ASP 1157Cb 0.96 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 2c3m h ASP 1157CO 0.07 0.14 0.22 0.58 -2.88 0.00 0.00 179.24 177.36 2c3m h VAL 1158N -0.39 1.19 -0.69 2.25 2.07 -1.21 -2.30 116.25 117.17 2c3m h VAL 1158Ca -0.01 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 2c3m h VAL 1158Cb 0.32 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2c3m h VAL 1158CO 0.02 0.21 0.26 -0.09 0.02 0.00 0.00 177.57 178.00 2c3m h ARG 1159N 0.61 1.03 -0.53 1.57 2.43 -1.04 -1.39 114.38 117.06 2c3m h ARG 1159Ca 0.16 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 2c3m h ARG 1159Cb 0.14 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2c3m h ARG 1159CO -0.02 0.84 -0.02 0.35 -1.51 0.00 0.00 179.97 179.61 2c3m h PHE 1160N 1.00 0.99 -0.47 2.20 3.57 -0.94 -0.61 116.94 122.68 2c3m h PHE 1160Ca 0.23 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 2c3m h PHE 1160Cb 0.21 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2c3m h PHE 1160CO 0.02 0.90 0.09 0.87 -2.23 0.00 0.00 178.31 177.96 2c3m h LYS 1161N 0.84 0.71 -0.32 1.11 1.57 -0.91 0.16 116.57 119.74 2c3m h LYS 1161Ca 0.15 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2c3m h LYS 1161Cb 0.53 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2c3m h LYS 1161CO 0.03 0.67 -0.09 1.49 -0.57 0.00 0.00 179.45 180.98 2c3m h GLU 1162N 0.69 0.62 -0.83 3.15 4.57 -0.73 -1.45 114.58 120.60 2c3m h GLU 1162Ca 0.15 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2c3m h GLU 1162Cb 0.30 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 2c3m h GLU 1162CO 0.00 0.81 0.52 -0.07 -1.18 0.00 0.00 179.01 179.10 2c3m h LEU 1163N 0.39 0.98 -0.66 1.64 3.38 -0.61 -0.66 115.31 119.77 2c3m h LEU 1163Ca 0.08 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2c3m h LEU 1163Cb 0.59 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2c3m h LEU 1163CO 0.03 0.73 0.23 -0.33 0.09 0.00 0.00 178.44 179.19 2c3m h GLU 1164N 1.14 1.01 -0.07 1.13 5.08 -0.71 -1.21 114.58 120.94 2c3m h GLU 1164Ca 0.30 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2c3m h GLU 1164Cb -0.09 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 2c3m h GLU 1164CO -0.06 0.87 0.04 1.25 -1.00 0.00 0.00 179.01 180.11 2c3m h HIS 1165N 0.94 0.09 -0.98 4.33 -0.00 -0.45 -2.08 115.15 116.99 2c3m h HIS 1165Ca 0.21 -0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.71 2c3m h HIS 1165Cb 0.26 -0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 27.56 2c3m h HIS 1165CO 0.02 0.09 0.62 0.52 -0.00 0.00 0.00 177.93 179.18 2c3m h MET 1166N 0.05 0.90 0.00 5.26 2.86 -0.85 0.12 114.93 123.28 2c3m h MET 1166Ca 0.02 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2c3m h MET 1166Cb 0.03 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 2c3m h MET 1166CO -0.00 0.60 -0.04 0.00 1.06 0.00 0.00 176.91 178.52 2c3m h ALA 1167N 1.56 1.00 0.00 6.32 0.00 -0.77 -3.16 119.26 124.21 2c3m h ALA 1167Ca 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2c3m h ALA 1167Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2c3m h ALA 1167CO -0.26 0.05 -1.76 0.00 0.00 0.00 0.00 179.25 177.29 2c3m n ALA 1168N -2.12 3.23 -1.04 0.00 0.00 0.02 -4.98 120.51 115.63 2c3m n ALA 1168Ca 0.01 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 52.59 2c3m n ALA 1168Cb 0.35 -0.74 0.13 0.00 0.00 0.00 0.00 19.45 19.19 2c3m n ALA 1168CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2c3m n THR 1169N -2.08 1.61 -0.45 0.00 5.66 0.22 -4.94 114.28 114.30 2c3m n THR 1169Ca -0.02 -0.19 0.02 0.00 -3.05 0.00 0.00 64.05 60.81 2c3m n THR 1169Cb 0.51 -1.10 0.03 0.00 -1.55 0.00 0.00 70.33 68.22 2c3m n THR 1169CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2c3m n ASN 1170N -3.03 1.73 -4.47 1.09 0.23 -1.26 -4.86 115.26 104.69 2c3m n ASN 1170Ca 0.13 -2.11 -0.41 0.00 -0.53 0.00 0.00 54.58 51.66 2c3m n ASN 1170Cb 0.51 -0.10 -0.11 0.00 -2.08 0.00 0.00 39.78 38.00 2c3m n ASN 1170CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2c3m s ILE 1171N -1.24 5.05 -0.15 1.53 1.01 -1.26 -5.04 121.20 121.10 2c3m s ILE 1171Ca 0.07 -0.47 -0.31 0.00 0.00 0.00 0.00 60.65 59.94 2c3m s ILE 1171Cb 0.06 -3.69 0.13 0.00 0.01 0.00 0.00 42.46 38.98 2c3m s ILE 1171CO 0.01 -0.11 1.06 0.72 0.00 0.00 0.00 174.94 176.61 2c3m s PHE 1172N 1.67 -0.28 0.90 3.97 -0.71 -1.26 -5.07 117.98 117.19 2c3m s PHE 1172Ca 0.05 0.38 -0.15 0.00 -1.04 0.00 0.00 56.93 56.17 2c3m s PHE 1172Cb -0.18 0.48 0.21 0.00 -1.21 0.00 0.00 43.02 42.32 2c3m s PHE 1172CO 0.09 -0.32 1.21 0.39 -1.34 0.00 0.00 175.22 175.25 2c3m n GLU 1173N 0.37 -1.22 0.00 1.99 1.02 -1.26 -5.10 120.64 116.44 2c3m n GLU 1173Ca -0.07 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.21 2c3m n GLU 1173Cb 0.59 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 2c3m n GLU 1173CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2c3m n SER 1174N -3.80 0.00 -3.64 1.62 7.64 -1.26 -4.73 113.62 109.44 2c3m n SER 1174Ca 0.15 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.97 2c3m n SER 1174Cb 0.53 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 2c3m n SER 1174CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2c3m s PHE 1175N 1.12 -0.34 -0.20 1.43 5.36 -1.26 -4.58 117.98 119.52 2c3m s PHE 1175Ca 0.00 0.81 -0.05 0.00 -0.96 0.00 0.00 56.93 56.73 2c3m s PHE 1175Cb 0.00 0.39 0.10 0.00 -0.34 0.00 0.00 43.02 43.17 2c3m s PHE 1175CO 0.00 -0.16 0.37 0.00 -1.46 0.00 0.00 175.22 173.97 2c3m s ALA 1176N 0.28 -1.00 0.16 11.12 0.00 -1.26 -4.66 121.76 126.40 2c3m s ALA 1176Ca 0.03 1.20 -0.23 0.00 0.00 0.00 0.00 51.96 52.97 2c3m s ALA 1176Cb -0.05 -1.36 0.06 0.00 0.00 0.00 0.00 23.12 21.77 2c3m s ALA 1176CO -0.10 -0.88 1.60 -1.35 0.00 0.00 0.00 175.76 175.03 2c3m h PRO 1177N 8.20 -0.24 0.00 0.00 0.11 -2.00 -3.47 132.00 134.60 2c3m h PRO 1177Ca -0.16 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2c3m h PRO 1177Cb 1.12 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2c3m h PRO 1177CO 0.17 -0.16 0.00 0.00 -0.21 0.00 0.00 178.00 177.80 2c3m n ALA 1178N -2.97 0.00 0.00 -0.75 0.00 -1.26 -5.03 120.51 110.49 2c3m n ALA 1178Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2c3m n ALA 1178Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2c3m n ALA 1178CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3m n GLY 1179N 0.00 3.12 0.00 0.00 0.00 -1.26 -5.12 105.19 101.93 2c3m n GLY 1179Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2c3m n GLY 1179CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c3m n GLY 1180N 0.93 0.75 5.00 -0.02 0.00 -1.26 -5.02 105.19 105.57 2c3m n GLY 1180Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2c3m n GLY 1180CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c3m n LYS 1181N 0.00 0.00 -1.32 1.61 5.02 -1.26 -4.80 118.16 117.40 2c3m n LYS 1181Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2c3m n LYS 1181Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2c3m n LYS 1181CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c3m n ALA 1182N 0.00 -2.27 -1.86 7.82 0.00 -1.26 -4.64 120.51 118.30 2c3m n ALA 1182Ca 0.00 0.34 -0.28 0.00 0.00 0.00 0.00 53.44 53.50 2c3m n ALA 1182Cb 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.22 2c3m n ALA 1182CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2c3m s ASP 1183N -1.85 4.78 0.00 0.00 2.15 -1.26 -4.75 116.67 115.74 2c3m s ASP 1183Ca 0.00 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.02 2c3m s ASP 1183Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2c3m s ASP 1183CO 0.00 -2.93 0.00 0.61 -0.17 0.00 0.00 175.17 172.68 2c3m n GLY 1184N 6.40 0.88 3.74 2.66 0.00 -1.26 -5.18 105.19 112.43 2c3m n GLY 1184Ca 0.36 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 2c3m n GLY 1184CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c3m s SER 1185N 0.00 -0.20 -0.09 1.61 1.04 -1.26 -5.11 113.70 109.69 2c3m s SER 1185Ca 0.00 -0.39 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 2c3m s SER 1185Cb 0.00 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2c3m s SER 1185CO 0.00 -0.92 0.29 0.54 0.98 0.00 0.00 173.24 174.14 2c3m s VAL 1186N -3.32 0.02 0.40 5.02 0.11 -1.26 -5.15 120.40 116.22 2c3m s VAL 1186Ca 0.12 -0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 58.79 2c3m s VAL 1186Cb -0.02 -0.46 -0.09 0.00 -1.53 0.00 0.00 36.38 34.28 2c3m s VAL 1186CO 0.02 -0.07 1.10 -0.62 -3.33 0.00 0.00 175.10 172.19 2c3m s ASP 1187N -0.23 6.64 0.36 3.54 -1.08 -1.26 -4.92 116.67 119.72 2c3m s ASP 1187Ca -0.04 2.17 0.26 0.00 -0.52 0.00 0.00 52.55 54.43 2c3m s ASP 1187Cb -0.03 -2.60 1.27 0.00 -1.46 0.00 0.00 42.92 40.10 2c3m s ASP 1187CO 0.01 -0.58 1.80 2.19 0.52 0.00 0.00 175.17 179.11 2c3m h PHE 1188N 2.54 0.00 -0.00 -5.34 -5.15 -2.02 -2.64 116.94 104.32 2c3m h PHE 1188Ca -0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.29 2c3m h PHE 1188Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.39 2c3m h PHE 1188CO 0.56 0.00 -0.76 0.41 -2.00 0.00 0.00 178.31 176.52 2c3m n GLY 1189N -0.63 -0.97 3.68 6.09 0.00 -1.26 -4.86 105.19 107.24 2c3m n GLY 1189Ca -0.00 -0.52 -0.47 0.00 0.00 0.00 0.00 46.02 45.04 2c3m n GLY 1189CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3m n GLU 1190N -1.32 2.31 -1.06 1.61 1.02 -1.00 -1.70 120.64 120.50 2c3m n GLU 1190Ca 0.05 0.84 -0.02 0.00 -0.02 0.00 0.00 57.16 58.02 2c3m n GLU 1190Cb 0.34 -2.70 -0.01 0.00 -0.02 0.00 0.00 31.44 29.06 2c3m n GLU 1190CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c3m n GLY 1191N 4.25 0.48 3.77 0.62 0.00 -1.26 -5.00 105.19 108.05 2c3m n GLY 1191Ca 0.21 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2c3m n GLY 1191CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3m s ALA 1192N -1.78 3.15 0.25 4.61 0.00 -0.69 -4.94 121.76 122.37 2c3m s ALA 1192Ca 0.00 0.97 0.13 0.00 0.00 0.00 0.00 51.96 53.06 2c3m s ALA 1192Cb 0.00 -3.38 0.45 0.00 0.00 0.00 0.00 23.12 20.19 2c3m s ALA 1192CO 0.00 -0.55 1.65 0.93 0.00 0.00 0.00 175.76 177.80 2c3m h GLU 1193N 2.60 0.00 -5.58 0.00 3.07 -1.94 -3.45 114.58 109.27 2c3m h GLU 1193Ca -0.49 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 57.88 2c3m h GLU 1193Cb 1.24 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.01 2c3m h GLU 1193CO 0.62 0.55 -0.69 -0.06 -1.40 0.00 0.00 179.01 178.03 2c3m s PHE 1194N -3.65 1.94 0.37 4.33 0.40 -1.26 -4.46 117.98 115.65 2c3m s PHE 1194Ca -0.01 -0.64 -0.27 0.00 -0.60 0.00 0.00 56.93 55.41 2c3m s PHE 1194Cb 0.12 -1.05 -0.12 0.00 0.51 0.00 0.00 43.02 42.49 2c3m s PHE 1194CO 0.74 0.34 1.22 0.00 0.70 0.00 0.00 175.22 178.22 2c3m n THR 1196N 0.06 0.00 -4.21 0.00 -2.24 -1.26 -4.99 114.28 101.64 2c3m n THR 1196Ca 0.06 -0.45 -0.17 0.00 -2.27 0.00 0.00 64.05 61.22 2c3m n THR 1196Cb 0.37 1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 2c3m n THR 1196CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2c3m s ARG 1197N -1.06 0.92 0.30 -0.78 0.52 -1.26 -5.02 118.95 112.58 2c3m s ARG 1197Ca 0.09 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.17 2c3m s ARG 1197Cb 0.07 -0.81 0.06 0.00 0.52 0.00 0.00 34.95 34.79 2c3m s ARG 1197CO 0.18 0.16 0.41 -0.40 0.02 0.00 0.00 175.30 175.67 2c3m n ASP 1198N 0.79 0.63 -1.89 0.23 3.85 -1.26 -5.00 116.55 113.90 2c3m n ASP 1198Ca -0.17 -1.51 -0.18 0.00 -0.71 0.00 0.00 54.79 52.22 2c3m n ASP 1198Cb 0.56 -0.26 0.12 0.00 -1.35 0.00 0.00 41.12 40.20 2c3m n ASP 1198CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 2c3m n ASP 1199N -2.92 3.75 -4.93 -1.12 8.00 -1.26 -4.84 116.55 113.22 2c3m n ASP 1199Ca 0.07 -3.16 -0.27 0.00 0.71 0.00 0.00 54.79 52.14 2c3m n ASP 1199Cb 0.25 -0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 2c3m n ASP 1199CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2c3m s THR 1200N -2.41 5.26 -1.07 -3.53 2.01 -1.26 -4.98 115.64 109.66 2c3m s THR 1200Ca 0.41 -0.50 0.22 0.00 0.31 0.00 0.00 61.69 62.13 2c3m s THR 1200Cb 0.34 -3.73 0.22 0.00 0.01 0.00 0.00 72.50 69.34 2c3m s THR 1200CO 0.07 -0.13 1.72 -0.81 -0.69 0.00 0.00 174.62 174.78 2c3m n PRO 1201N -0.59 0.05 0.09 4.92 -0.04 -1.26 -2.86 135.00 135.31 2c3m n PRO 1201Ca -0.06 0.11 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 2c3m n PRO 1201Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2c3m n PRO 1201CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2c3m h MET 1202N 0.00 0.17 -0.01 0.54 2.86 -1.97 -3.20 114.93 113.32 2c3m h MET 1202Ca 0.00 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2c3m h MET 1202Cb 0.36 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2c3m h MET 1202CO 0.00 0.95 -0.30 -1.33 1.06 0.00 0.00 176.91 177.29 2c3m n MET 1203N -3.63 1.17 -1.90 1.72 2.81 -1.13 -4.94 117.12 111.21 2c3m n MET 1203Ca -0.03 -0.84 -0.41 0.00 -1.81 0.00 0.00 57.70 54.60 2c3m n MET 1203Cb 0.82 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.83 2c3m n MET 1203CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c3m s ALA 1204N -2.41 3.68 0.10 3.04 0.00 -1.14 -4.94 121.76 120.09 2c3m s ALA 1204Ca 0.24 1.44 -0.04 0.00 0.00 0.00 0.00 51.96 53.60 2c3m s ALA 1204Cb 0.19 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2c3m s ALA 1204CO 0.51 -0.85 0.10 1.03 0.00 0.00 0.00 175.76 176.54 2c3m s ARG 1205N -0.44 0.85 0.31 0.00 1.81 -1.26 -5.03 118.95 115.19 2c3m s ARG 1205Ca 0.61 -1.22 0.07 0.00 -1.72 0.00 0.00 55.73 53.47 2c3m s ARG 1205Cb -0.45 0.28 0.83 0.00 -0.45 0.00 0.00 34.95 35.16 2c3m s ARG 1205CO 0.45 -0.24 1.69 -1.35 -0.68 0.00 0.00 175.30 175.17 2c3m h PRO 1206N 2.88 0.39 -0.64 3.54 0.11 -2.04 -1.22 132.00 135.01 2c3m h PRO 1206Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2c3m h PRO 1206Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2c3m h PRO 1206CO 0.59 0.26 0.00 -0.25 -0.21 0.00 0.00 178.00 178.39 2c3m n ASP 1207N -5.03 3.87 -4.94 -2.05 8.00 -1.26 -4.96 116.55 110.18 2c3m n ASP 1207Ca 0.25 -2.20 -0.25 0.00 0.71 0.00 0.00 54.79 53.30 2c3m n ASP 1207Cb 0.74 -0.49 0.05 0.00 -0.02 0.00 0.00 41.12 41.40 2c3m n ASP 1207CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c3m s SER 1208N -0.92 5.14 0.00 -2.24 1.04 -0.46 -4.65 113.70 111.61 2c3m s SER 1208Ca 0.44 0.37 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2c3m s SER 1208Cb 0.26 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 65.20 2c3m s SER 1208CO 0.25 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2c3m n GLY 1209N -2.66 1.20 3.77 7.32 0.00 -1.26 -4.89 105.19 108.68 2c3m n GLY 1209Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2c3m n GLY 1209CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c3m s GLU 1210N -0.16 4.28 0.68 1.61 2.12 -1.26 -5.01 118.70 120.96 2c3m s GLU 1210Ca 0.00 1.61 -0.17 0.00 0.36 0.00 0.00 54.97 56.78 2c3m s GLU 1210Cb 0.00 -2.72 0.01 0.00 0.26 0.00 0.00 34.13 31.68 2c3m s GLU 1210CO 0.00 -0.07 1.22 0.00 -0.54 0.00 0.00 175.26 175.88 2c3m s ALA 1211N -1.51 2.28 0.05 6.30 0.00 -1.26 -5.03 121.76 122.60 2c3m s ALA 1211Ca 0.54 0.98 -0.28 0.00 0.00 0.00 0.00 51.96 53.20 2c3m s ALA 1211Cb -0.25 -3.48 0.09 0.00 0.00 0.00 0.00 23.12 19.48 2c3m s ALA 1211CO 0.32 -1.64 1.00 0.00 0.00 0.00 0.00 175.76 175.44 2c3m s ASP 1213N -2.75 6.91 -0.08 0.00 -1.08 -1.26 -4.79 116.67 113.62 2c3m s ASP 1213Ca 0.10 1.10 0.09 0.00 -0.52 0.00 0.00 52.55 53.33 2c3m s ASP 1213Cb -0.00 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.32 2c3m s ASP 1213CO -0.03 -0.89 1.22 1.67 0.52 0.00 0.00 175.17 177.65 2c3m n GLN 1214N 6.90 2.62 -1.71 4.34 7.27 -1.26 -0.93 117.38 134.60 2c3m n GLN 1214Ca 0.12 -1.58 -0.12 0.00 0.07 0.00 0.00 57.00 55.49 2c3m n GLN 1214Cb 0.47 -1.67 -0.03 0.00 2.41 0.00 0.00 30.24 31.42 2c3m n GLN 1214CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2c3m n ASN 1215N 0.46 -4.25 -1.17 1.69 3.02 -1.26 -4.90 115.26 108.85 2c3m n ASN 1215Ca 0.14 0.18 0.11 0.00 -0.03 0.00 0.00 54.58 54.98 2c3m n ASN 1215Cb 0.59 -3.09 0.24 0.00 -0.61 0.00 0.00 39.78 36.91 2c3m n ASN 1215CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2c3m n ARG 1216N -2.46 2.55 0.00 3.52 1.74 -1.26 -4.22 116.66 116.53 2c3m n ARG 1216Ca -0.13 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.57 2c3m n ARG 1216Cb 0.49 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2c3m n ARG 1216CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c3m n ALA 1217N 1.47 1.98 0.00 7.54 0.00 -1.26 -5.13 120.51 125.10 2c3m n ALA 1217Ca 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2c3m n ALA 1217Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2c3m n ALA 1217CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3m n GLY 1218N -0.32 0.28 3.56 0.00 0.00 -1.26 -4.54 105.19 102.92 2c3m n GLY 1218Ca 0.00 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 2c3m n GLY 1218CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2c3m s THR 1219N -1.40 1.88 0.16 2.61 -1.32 -1.26 -4.73 115.64 111.58 2c3m s THR 1219Ca 0.00 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 2c3m s THR 1219Cb 0.00 -2.30 0.02 0.00 -1.51 0.00 0.00 72.50 68.71 2c3m s THR 1219CO 0.00 0.00 1.80 0.28 -2.21 0.00 0.00 174.62 174.49 2c3m h SER 1220N -2.42 0.38 -0.22 8.08 0.02 -1.99 -1.13 113.55 116.27 2c3m h SER 1220Ca -0.55 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.24 2c3m h SER 1220Cb 1.33 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2c3m h SER 1220CO 0.50 0.27 -0.46 1.05 -1.14 0.00 0.00 176.83 177.05 2c3m h GLU 1221N 0.47 0.78 -0.73 3.45 9.09 -1.98 -0.91 114.58 124.76 2c3m h GLU 1221Ca 0.16 -0.45 -0.03 0.00 0.05 0.00 0.00 59.36 59.09 2c3m h GLU 1221Cb 0.01 0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 27.11 2c3m h GLU 1221CO -0.07 1.08 0.34 1.96 0.05 0.00 0.00 179.01 182.37 2c3m h GLN 1222N 0.62 1.04 -0.33 1.06 4.20 -1.86 0.17 115.11 120.02 2c3m h GLN 1222Ca 0.04 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 2c3m h GLN 1222Cb 1.04 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 2c3m h GLN 1222CO 0.10 0.81 -0.08 1.96 -0.67 0.00 0.00 178.83 180.95 2c3m h GLN 1223N 1.03 0.63 -0.48 1.46 4.20 -1.05 -1.29 115.11 119.61 2c3m h GLN 1223Ca 0.25 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 2c3m h GLN 1223Cb 0.12 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2c3m h GLN 1223CO -0.03 0.81 0.04 0.78 -0.67 0.00 0.00 178.83 179.75 2c3m h GLY 1224N 0.41 0.83 1.03 3.46 0.00 -0.64 -1.85 103.07 106.31 2c3m h GLY 1224Ca 0.08 -0.53 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 2c3m h GLY 1224CO 0.03 0.49 -0.32 -1.80 0.00 0.00 0.00 176.54 174.95 2c3m h ASP 1225N 0.73 0.86 -0.83 0.19 3.58 -0.55 -2.28 116.42 118.12 2c3m h ASP 1225Ca 0.15 -0.46 -0.02 0.00 0.42 0.00 0.00 57.03 57.11 2c3m h ASP 1225Cb 0.40 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 2c3m h ASP 1225CO 0.01 1.14 0.43 0.25 -2.88 0.00 0.00 179.24 178.20 2c3m h LEU 1226N 0.58 1.05 -0.43 2.28 5.85 -1.03 0.15 115.31 123.76 2c3m h LEU 1226Ca 0.05 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2c3m h LEU 1226Cb 0.90 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2c3m h LEU 1226CO 0.08 0.86 0.27 -1.28 -0.34 0.00 0.00 178.44 178.03 2c3m h SER 1227N 1.16 0.45 -0.30 1.25 0.87 -1.24 -1.03 113.55 114.71 2c3m h SER 1227Ca 0.29 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2c3m h SER 1227Cb 0.06 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2c3m h SER 1227CO -0.04 0.32 0.11 0.50 -0.53 0.00 0.00 176.83 177.19 2c3m h LYS 1228N 0.54 0.46 0.00 2.24 3.64 -0.85 0.47 116.57 123.07 2c3m h LYS 1228Ca 0.16 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2c3m h LYS 1228Cb -0.03 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2c3m h LYS 1228CO -0.06 0.48 0.00 0.54 -2.27 0.00 0.00 179.45 178.15 2c3m n ARG 1229N -4.72 0.10 -0.05 1.90 1.74 0.47 -3.85 116.66 112.25 2c3m n ARG 1229Ca -0.02 0.36 -0.10 0.00 -0.77 0.00 0.00 57.85 57.32 2c3m n ARG 1229Cb 0.14 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.86 2c3m n ARG 1229CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2c3m n THR 1230N -1.88 0.74 0.00 0.55 -2.24 -0.42 -4.98 114.28 106.06 2c3m n THR 1230Ca 0.02 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2c3m n THR 1230Cb 0.18 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 2c3m n THR 1230CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2c3m n LYS 1231N -3.57 0.00 -0.90 -0.78 2.85 0.16 -5.09 118.16 110.84 2c3m n LYS 1231Ca -0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 2c3m n LYS 1231Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 2c3m n LYS 1231CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98