#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3m n LYS 3 N 0.00 0.80 -3.65 1.61 5.02 -1.26 -0.89 118.16 119.79 2c3m n LYS 3 Ca 0.00 -3.53 -0.04 0.00 -2.02 0.00 0.00 58.31 52.71 2c3m n LYS 3 Cb 0.00 0.86 -0.07 0.00 -0.02 0.00 0.00 35.03 35.80 2c3m n LYS 3 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2c3m s LYS 4 N -3.84 0.19 0.66 1.97 -2.85 -0.97 -4.90 119.74 110.00 2c3m s LYS 4 Ca 0.05 0.24 -0.12 0.00 -1.00 0.00 0.00 55.97 55.14 2c3m s LYS 4 Cb -0.00 0.09 -0.01 0.00 -2.06 0.00 0.00 37.83 35.84 2c3m s LYS 4 CO 0.03 -0.02 1.05 -1.64 0.10 0.00 0.00 175.35 174.87 2c3m s MET 5 N 0.18 3.18 -0.29 1.78 -1.94 -1.26 -1.46 119.30 119.49 2c3m s MET 5 Ca 0.05 0.94 -0.23 0.00 -1.71 0.00 0.00 55.69 54.73 2c3m s MET 5 Cb -0.05 -2.02 0.15 0.00 2.01 0.00 0.00 34.83 34.92 2c3m s MET 5 CO -0.13 -0.90 1.16 1.41 -0.01 0.00 0.00 175.02 176.55 2c3m s MET 6 N -4.91 0.33 -0.30 2.03 0.00 0.51 -4.89 119.30 112.07 2c3m s MET 6 Ca 0.58 0.42 -0.09 0.00 0.00 0.00 0.00 55.69 56.60 2c3m s MET 6 Cb -0.13 0.14 -0.01 0.00 0.00 0.00 0.00 34.83 34.84 2c3m s MET 6 CO 0.51 -0.04 0.14 0.95 0.00 0.00 0.00 175.02 176.58 2c3m s THR 7 N 0.35 4.50 0.33 10.11 -4.23 -1.26 0.38 115.64 125.82 2c3m s THR 7 Ca 0.02 -0.44 -0.10 0.00 -1.18 0.00 0.00 61.69 59.99 2c3m s THR 7 Cb -0.05 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.55 2c3m s THR 7 CO -0.10 0.08 0.63 0.35 -0.54 0.00 0.00 174.62 175.04 2c3m n THR 8 N 4.96 0.00 -3.17 3.99 -2.24 -0.72 -4.90 114.28 112.20 2c3m n THR 8 Ca -0.14 -0.99 -0.19 0.00 -2.27 0.00 0.00 64.05 60.46 2c3m n THR 8 Cb 0.49 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.60 2c3m n THR 8 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2c3m s ASP 9 N -2.79 5.33 0.26 3.42 3.84 -1.25 -0.98 116.67 124.50 2c3m s ASP 9 Ca 0.16 -0.65 -0.02 0.00 -0.00 0.00 0.00 52.55 52.04 2c3m s ASP 9 Cb -0.04 -0.31 0.42 0.00 -1.38 0.00 0.00 42.92 41.62 2c3m s ASP 9 CO 0.12 -0.92 1.85 1.23 -0.00 0.00 0.00 175.17 177.45 2c3m h GLY 10 N 0.59 1.47 0.69 2.12 0.00 -1.11 -0.50 103.07 106.33 2c3m h GLY 10 Ca -0.37 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.54 2c3m h GLY 10 CO 0.47 0.25 -0.25 3.43 0.00 0.00 0.00 176.54 180.43 2c3m h ASN 11 N 1.03 -0.69 -0.42 0.19 -0.26 -1.62 -1.53 115.58 112.29 2c3m h ASN 11 Ca 0.43 0.07 -0.06 0.00 -0.56 0.00 0.00 56.30 56.17 2c3m h ASN 11 Cb 0.27 0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.75 2c3m h ASN 11 CO -0.21 -0.37 0.04 0.71 -1.06 0.00 0.00 177.43 176.55 2c3m h THR 12 N -0.53 1.24 -0.72 2.81 1.35 -1.75 -0.70 112.91 114.60 2c3m h THR 12 Ca -0.00 -0.93 -0.04 0.00 -0.55 0.00 0.00 66.41 64.88 2c3m h THR 12 Cb 0.50 0.81 -0.03 0.00 -1.73 0.00 0.00 68.15 67.70 2c3m h THR 12 CO -0.07 0.33 0.28 0.00 -0.25 0.00 0.00 175.52 175.81 2c3m h ALA 13 N 1.29 0.94 0.01 6.62 0.00 -0.89 -1.28 119.26 125.96 2c3m h ALA 13 Ca 0.15 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 2c3m h ALA 13 Cb 0.40 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2c3m h ALA 13 CO 0.01 0.57 -1.10 1.79 0.00 0.00 0.00 179.25 180.52 2c3m h THR 14 N 1.04 1.61 -0.28 0.00 1.35 -1.04 -3.21 112.91 112.37 2c3m h THR 14 Ca 0.24 -3.32 -0.07 0.00 -0.55 0.00 0.00 66.41 62.71 2c3m h THR 14 Cb 0.23 2.81 -0.02 0.00 -1.73 0.00 0.00 68.15 69.44 2c3m h THR 14 CO -0.02 0.92 -0.11 0.00 -0.25 0.00 0.00 175.52 176.07 2c3m h ALA 15 N 0.96 1.30 -0.51 6.62 0.00 -0.99 0.44 119.26 127.09 2c3m h ALA 15 Ca -0.05 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.69 2c3m h ALA 15 Cb 1.81 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 2c3m h ALA 15 CO 0.13 0.47 0.10 1.25 0.00 0.00 0.00 179.25 181.20 2c3m h HIS 16 N 0.44 0.16 -0.03 0.00 6.17 -1.23 0.51 115.15 121.16 2c3m h HIS 16 Ca 0.08 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.14 2c3m h HIS 16 Cb 0.45 0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.39 2c3m h HIS 16 CO 0.01 -0.01 -0.20 0.28 0.71 0.00 0.00 177.93 178.73 2c3m h VAL 17 N 0.24 1.49 -0.72 5.26 2.07 -1.47 -3.21 116.25 119.92 2c3m h VAL 17 Ca 0.25 -1.74 0.11 0.00 0.82 0.00 0.00 66.70 66.15 2c3m h VAL 17 Cb 0.34 2.54 -0.08 0.00 -1.52 0.00 0.00 31.29 32.57 2c3m h VAL 17 CO -0.33 0.48 0.32 0.00 0.02 0.00 0.00 177.57 178.06 2c3m h ALA 18 N 0.35 1.00 -0.20 1.67 0.00 -0.63 -1.34 119.26 120.10 2c3m h ALA 18 Ca -0.02 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2c3m h ALA 18 Cb 0.88 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2c3m h ALA 18 CO 0.04 -0.12 0.08 -0.92 0.00 0.00 0.00 179.25 178.33 2c3m h TYR 19 N 0.52 0.15 -0.70 0.00 3.20 -0.99 -2.26 116.97 116.89 2c3m h TYR 19 Ca 0.37 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 2c3m h TYR 19 Cb 0.47 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 2c3m h TYR 19 CO -0.13 0.08 0.39 0.00 -1.64 0.00 0.00 178.16 176.86 2c3m h ALA 20 N 1.12 0.90 -0.03 1.82 0.00 -1.34 -3.14 119.26 118.58 2c3m h ALA 20 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2c3m h ALA 20 Cb 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2c3m h ALA 20 CO -0.08 0.41 0.00 -1.33 0.00 0.00 0.00 179.25 178.25 2c3m n MET 21 N -4.50 1.48 -4.38 0.00 2.81 -0.59 -1.23 117.12 110.72 2c3m n MET 21 Ca 0.06 -0.70 -0.29 0.00 -1.81 0.00 0.00 57.70 54.96 2c3m n MET 21 Cb 0.09 -1.47 -0.13 0.00 -0.71 0.00 0.00 33.22 31.00 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 -1.94 3.38 -0.18 7.83 0.01 -0.87 -4.87 113.70 117.07 2c3m s SER 22 Ca 0.40 -0.74 0.11 0.00 1.31 0.00 0.00 55.95 57.03 2c3m s SER 22 Cb 0.21 -0.25 -0.19 0.00 0.21 0.00 0.00 66.02 66.00 2c3m s SER 22 CO 0.33 0.18 -0.01 -0.62 0.41 0.00 0.00 173.24 173.53 2c3m n GLU 23 N 0.85 1.07 -4.13 12.44 1.02 -0.05 -4.82 120.64 127.03 2c3m n GLU 23 Ca -0.17 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 56.84 2c3m n GLU 23 Cb 0.53 -1.43 -0.12 0.00 -0.02 0.00 0.00 31.44 30.40 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 -2.41 0.69 -0.10 2.62 1.01 -0.58 -1.84 120.40 119.79 2c3m s VAL 24 Ca -0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 2c3m s VAL 24 Cb 0.06 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.78 2c3m s VAL 24 CO 0.63 -0.25 0.16 0.00 0.00 0.00 0.00 175.10 175.64 2c3m s ALA 25 N -1.15 -0.13 -0.26 5.51 0.00 -0.24 -1.96 121.76 123.53 2c3m s ALA 25 Ca -0.06 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 2c3m s ALA 25 Cb -0.09 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2c3m s ALA 25 CO 0.01 -0.68 0.10 0.00 0.00 0.00 0.00 175.76 175.19 2c3m s ALA 26 N 2.29 3.25 0.32 0.00 0.00 -1.20 -1.52 121.76 124.89 2c3m s ALA 26 Ca 0.04 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.87 2c3m s ALA 26 Cb -0.13 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.74 2c3m s ALA 26 CO -0.07 -0.56 0.08 0.96 0.00 0.00 0.00 175.76 176.18 2c3m s ILE 27 N 1.64 0.88 -0.23 0.00 -4.36 -0.10 -4.63 121.20 114.40 2c3m s ILE 27 Ca 0.06 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.26 2c3m s ILE 27 Cb -0.16 -2.67 0.06 0.00 1.25 0.00 0.00 42.46 40.95 2c3m s ILE 27 CO 0.05 0.00 0.61 -0.47 0.24 0.00 0.00 174.94 175.37 2c3m s TYR 28 N -3.44 -0.74 0.22 1.37 5.04 -1.26 -1.20 117.35 117.34 2c3m s TYR 28 Ca 0.35 1.70 -0.30 0.00 -2.44 0.00 0.00 57.07 56.38 2c3m s TYR 28 Cb 0.07 0.30 -0.08 0.00 0.35 0.00 0.00 41.96 42.60 2c3m s TYR 28 CO 0.15 -0.36 0.97 -1.25 -1.34 0.00 0.00 175.55 173.72 2c3m s PRO 29 N 0.65 4.79 -0.29 4.97 0.04 -1.26 -4.89 135.00 139.01 2c3m s PRO 29 Ca -0.03 1.53 -0.14 0.00 0.04 0.00 0.00 61.00 62.41 2c3m s PRO 29 Cb -0.05 -3.29 0.11 0.00 0.04 0.00 0.00 34.50 31.31 2c3m s PRO 29 CO -0.04 0.40 0.72 -1.50 0.04 0.00 0.00 177.00 176.62 2c3m s ILE 30 N -0.90 -0.33 0.31 0.56 2.07 -1.26 -4.99 121.20 116.67 2c3m s ILE 30 Ca 0.43 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.38 2c3m s ILE 30 Cb -0.26 -1.00 -0.11 0.00 0.13 0.00 0.00 42.46 41.22 2c3m s ILE 30 CO 0.33 0.00 1.46 -0.89 -1.91 0.00 0.00 174.94 173.93 2c3m s THR 31 N 2.03 2.36 -0.29 4.00 2.01 -1.26 -0.53 115.64 123.96 2c3m s THR 31 Ca -0.08 0.33 0.11 0.00 0.31 0.00 0.00 61.69 62.36 2c3m s THR 31 Cb -0.07 -3.21 0.73 0.00 0.01 0.00 0.00 72.50 69.96 2c3m s THR 31 CO -0.19 0.07 1.74 -0.81 -0.69 0.00 0.00 174.62 174.74 2c3m n PRO 32 N 1.43 3.77 0.00 4.92 -0.04 -1.26 -4.89 135.00 138.94 2c3m n PRO 32 Ca 0.04 -3.09 0.12 0.00 -0.04 0.00 0.00 63.50 60.52 2c3m n PRO 32 Cb 0.40 -2.17 0.16 0.00 -0.04 0.00 0.00 33.50 31.84 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 -0.10 0.69 -0.30 3.54 3.41 0.31 -4.44 113.62 116.72 2c3m n SER 33 Ca 0.36 -0.50 0.15 0.00 -0.26 0.00 0.00 58.87 58.62 2c3m n SER 33 Cb 1.29 0.44 0.31 0.00 -0.26 0.00 0.00 64.21 65.99 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 0.11 0.03 -0.89 4.04 0.02 -1.77 -1.65 113.55 113.43 2c3m h SER 34 Ca 0.00 0.20 0.17 0.00 -0.84 0.00 0.00 61.79 61.32 2c3m h SER 34 Cb 0.51 0.27 -0.10 0.00 0.14 0.00 0.00 62.40 63.21 2c3m h SER 34 CO 0.00 -0.17 0.47 0.74 -1.14 0.00 0.00 176.83 176.73 2c3m h THR 35 N 0.20 0.67 -0.27 -2.27 2.02 -1.90 -2.32 112.91 109.05 2c3m h THR 35 Ca 0.58 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.58 2c3m h THR 35 Cb 1.20 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2c3m h THR 35 CO -0.67 0.11 0.08 0.24 0.37 0.00 0.00 175.52 175.66 2c3m h MET 36 N 0.61 0.20 -0.72 6.66 2.86 -1.58 0.74 114.93 123.70 2c3m h MET 36 Ca 0.51 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 58.07 2c3m h MET 36 Cb 0.79 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 2c3m h MET 36 CO -0.40 0.13 0.18 0.78 1.06 0.00 0.00 176.91 178.66 2c3m h GLY 37 N 0.20 1.23 1.35 8.32 0.00 -1.56 -1.92 103.07 110.69 2c3m h GLY 37 Ca 0.12 -0.77 -0.12 0.00 0.00 0.00 0.00 47.33 46.56 2c3m h GLY 37 CO -0.13 0.71 -0.27 0.83 0.00 0.00 0.00 176.54 177.69 2c3m h GLU 38 N 1.09 0.74 -0.51 4.80 5.08 -1.03 -1.67 114.58 123.09 2c3m h GLU 38 Ca 0.23 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2c3m h GLU 38 Cb 0.37 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2c3m h GLU 38 CO 0.00 0.93 0.10 0.93 -1.00 0.00 0.00 179.01 179.97 2c3m h GLU 39 N 0.64 0.83 -0.96 2.33 4.39 -0.69 -2.04 114.58 119.08 2c3m h GLU 39 Ca 0.08 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2c3m h GLU 39 Cb 0.78 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 2c3m h GLU 39 CO 0.06 0.81 0.61 0.00 -1.16 0.00 0.00 179.01 179.33 2c3m h ALA 40 N 0.98 1.27 -0.49 3.43 0.00 -1.16 -0.72 119.26 122.56 2c3m h ALA 40 Ca 0.16 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2c3m h ALA 40 Cb 0.37 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2c3m h ALA 40 CO 0.01 0.66 -0.04 0.22 0.00 0.00 0.00 179.25 180.09 2c3m h ASP 41 N 1.31 0.89 -0.40 0.00 1.82 -1.04 -1.38 116.42 117.62 2c3m h ASP 41 Ca 0.35 -0.33 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2c3m h ASP 41 Cb -0.11 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.65 2c3m h ASP 41 CO -0.07 1.00 0.20 0.44 -1.61 0.00 0.00 179.24 179.20 2c3m h ASP 42 N 0.75 0.51 -0.60 2.28 3.32 -0.88 -1.98 116.42 119.81 2c3m h ASP 42 Ca 0.14 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 2c3m h ASP 42 Cb 0.57 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 2c3m h ASP 42 CO 0.03 0.47 0.21 -0.50 -1.72 0.00 0.00 179.24 177.74 2c3m h TRP 43 N 0.51 0.98 -0.29 4.55 6.55 -1.01 0.12 115.95 127.36 2c3m h TRP 43 Ca 0.14 -0.08 -0.02 0.00 0.95 0.00 0.00 58.89 59.88 2c3m h TRP 43 Cb 0.09 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.09 2c3m h TRP 43 CO -0.02 0.78 0.09 0.00 -1.05 0.00 0.00 178.44 178.23 2c3m h ALA 44 N 1.30 0.38 -0.18 1.49 0.00 -1.02 -0.16 119.26 121.06 2c3m h ALA 44 Ca 0.21 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2c3m h ALA 44 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2c3m h ALA 44 CO -0.01 0.01 -0.15 0.00 0.00 0.00 0.00 179.25 179.10 2c3m h ALA 45 N 0.92 1.41 0.00 0.00 0.00 -0.99 -2.47 119.26 118.12 2c3m h ALA 45 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2c3m h ALA 45 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2c3m h ALA 45 CO -0.00 0.41 0.00 1.04 0.00 0.00 0.00 179.25 180.70 2c3m n GLN 46 N -4.23 0.04 0.00 0.00 6.02 0.40 -4.89 117.38 114.71 2c3m n GLN 46 Ca -0.00 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 2c3m n GLN 46 Cb 0.30 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 0.75 1.01 3.75 1.08 0.00 -0.92 -5.06 105.19 105.79 2c3m n GLY 47 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.96 4.34 0.11 1.61 3.52 -0.12 -4.98 118.95 122.46 2c3m s ARG 48 Ca 0.00 2.19 0.07 0.00 -0.13 0.00 0.00 55.73 57.85 2c3m s ARG 48 Cb 0.00 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2c3m s ARG 48 CO 0.00 -0.30 -0.07 0.15 -0.81 0.00 0.00 175.30 174.27 2c3m s LYS 49 N -0.62 2.25 0.00 5.12 -0.14 -1.26 -4.38 119.74 120.71 2c3m s LYS 49 Ca 0.56 -0.98 0.00 0.00 -1.36 0.00 0.00 55.97 54.18 2c3m s LYS 49 Cb -0.39 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.39 2c3m s LYS 49 CO 0.44 0.51 0.00 0.27 -0.76 0.00 0.00 175.35 175.81 2c3m n ASN 50 N 0.61 0.00 0.00 2.83 0.23 0.12 -4.83 115.26 114.21 2c3m n ASN 50 Ca -0.12 -0.93 0.05 0.00 -0.53 0.00 0.00 54.58 53.05 2c3m n ASN 50 Cb 0.52 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.46 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 -1.65 1.12 0.53 1.53 -5.35 -0.36 -1.49 119.36 113.69 2c3m n ILE 51 Ca 0.00 0.28 0.12 0.00 -0.27 0.00 0.00 62.75 62.88 2c3m n ILE 51 Cb 0.00 -1.10 0.19 0.00 -1.74 0.00 0.00 39.64 36.99 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 -1.44 0.35 -1.02 4.28 3.01 -1.26 -4.93 117.46 116.44 2c3m n PHE 52 Ca 0.03 -0.18 -0.01 0.00 1.01 0.00 0.00 57.45 58.31 2c3m n PHE 52 Cb 0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.58 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 0.47 3.68 1.37 0.00 -0.56 -5.04 105.19 106.58 2c3m n GLY 53 Ca 0.18 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.34 2.43 0.26 1.61 -1.52 -1.26 -4.78 119.66 115.06 2c3m s GLN 54 Ca 0.00 -1.18 -0.24 0.00 -1.95 0.00 0.00 55.36 51.99 2c3m s GLN 54 Cb 0.00 -2.33 -0.09 0.00 -0.22 0.00 0.00 33.01 30.37 2c3m s GLN 54 CO 0.00 0.43 0.85 0.95 -0.25 0.00 0.00 175.29 177.27 2c3m s THR 55 N -1.92 4.33 0.23 -0.19 -4.23 -1.26 0.11 115.64 112.71 2c3m s THR 55 Ca 0.29 1.67 -0.30 0.00 -1.18 0.00 0.00 61.69 62.17 2c3m s THR 55 Cb -0.08 -4.02 -0.10 0.00 1.34 0.00 0.00 72.50 69.64 2c3m s THR 55 CO 0.20 0.26 1.43 -0.22 -0.54 0.00 0.00 174.62 175.74 2c3m s LEU 56 N -1.80 4.39 -0.53 4.79 2.96 -1.26 -4.92 118.68 122.30 2c3m s LEU 56 Ca 0.45 2.62 -0.23 0.00 -0.22 0.00 0.00 54.13 56.76 2c3m s LEU 56 Cb -0.19 -3.62 0.05 0.00 0.50 0.00 0.00 46.19 42.92 2c3m s LEU 56 CO 0.24 -0.69 0.84 -0.89 -1.32 0.00 0.00 176.35 174.53 2c3m s THR 57 N 0.12 4.55 -0.09 3.68 2.01 -0.76 -4.93 115.64 120.21 2c3m s THR 57 Ca 0.60 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.64 2c3m s THR 57 Cb -0.41 -4.46 -0.03 0.00 0.01 0.00 0.00 72.50 67.61 2c3m s THR 57 CO 0.41 -1.01 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.63 2c3m s ILE 58 N 3.51 3.58 -0.00 1.82 1.01 -1.26 -1.07 121.20 128.79 2c3m s ILE 58 Ca 0.26 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.39 2c3m s ILE 58 Cb -0.15 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.84 2c3m s ILE 58 CO 0.17 0.57 0.01 -0.13 0.00 0.00 0.00 174.94 175.56 2c3m s ARG 59 N -0.43 0.01 -0.17 2.79 1.81 -0.58 -4.99 118.95 117.39 2c3m s ARG 59 Ca 0.06 0.02 -0.08 0.00 -1.72 0.00 0.00 55.73 54.01 2c3m s ARG 59 Cb -0.12 -0.01 -0.04 0.00 -0.45 0.00 0.00 34.95 34.33 2c3m s ARG 59 CO 0.02 -0.01 0.10 -1.21 -0.68 0.00 0.00 175.30 173.52 2c3m s GLU 60 N 0.05 3.89 0.22 3.54 8.01 -1.26 -0.92 118.70 132.22 2c3m s GLU 60 Ca -0.00 -0.26 0.03 0.00 0.01 0.00 0.00 54.97 54.74 2c3m s GLU 60 Cb -0.01 -3.26 0.04 0.00 -4.31 0.00 0.00 34.13 26.59 2c3m s GLU 60 CO -0.00 0.41 0.30 -1.33 0.01 0.00 0.00 175.26 174.64 2c3m n MET 61 N 3.15 0.79 0.04 1.61 2.81 -0.34 -4.93 117.12 120.25 2c3m n MET 61 Ca -0.17 -1.10 0.12 0.00 -1.81 0.00 0.00 57.70 54.74 2c3m n MET 61 Cb 0.53 -0.11 0.30 0.00 -0.71 0.00 0.00 33.22 33.23 2c3m n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c3m n GLN 62 N -1.48 0.17 -3.78 0.03 0.00 -1.26 -4.88 117.38 106.17 2c3m n GLN 62 Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 57.00 57.14 2c3m n GLN 62 Cb 0.21 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 28.83 2c3m n GLN 62 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2c3m s SER 63 N -3.77 -0.04 0.47 2.61 1.04 -1.26 -2.36 113.70 110.38 2c3m s SER 63 Ca 0.09 -0.26 0.24 0.00 0.48 0.00 0.00 55.95 56.50 2c3m s SER 63 Cb 0.15 0.24 1.14 0.00 0.10 0.00 0.00 66.02 67.65 2c3m s SER 63 CO 0.66 -0.45 1.94 -0.33 0.98 0.00 0.00 173.24 176.04 2c3m h GLU 64 N 2.00 0.00 -0.54 4.02 3.07 -1.93 -1.17 114.58 120.04 2c3m h GLU 64 Ca -0.27 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.48 2c3m h GLU 64 Cb 1.20 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 2c3m h GLU 64 CO 0.30 0.21 -0.08 0.00 -1.40 0.00 0.00 179.01 178.03 2c3m h ALA 65 N 1.79 0.73 -0.45 3.43 0.00 -1.86 0.55 119.26 123.46 2c3m h ALA 65 Ca -0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 2c3m h ALA 65 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2c3m h ALA 65 CO 0.03 0.62 -0.25 0.78 0.00 0.00 0.00 179.25 180.43 2c3m h GLY 66 N 0.87 1.02 0.91 0.00 0.00 -1.75 -2.27 103.07 101.85 2c3m h GLY 66 Ca 0.14 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 2c3m h GLY 66 CO 0.04 0.83 0.11 0.00 0.00 0.00 0.00 176.54 177.52 2c3m h ALA 67 N 0.91 0.35 -0.92 3.60 0.00 -0.90 -1.50 119.26 120.80 2c3m h ALA 67 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2c3m h ALA 67 Cb 0.82 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2c3m h ALA 67 CO 0.07 -0.06 0.55 0.00 0.00 0.00 0.00 179.25 179.81 2c3m h ALA 68 N 0.95 1.24 -0.61 0.00 0.00 -0.84 0.12 119.26 120.11 2c3m h ALA 68 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2c3m h ALA 68 Cb 0.18 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2c3m h ALA 68 CO -0.01 0.65 0.24 0.78 0.00 0.00 0.00 179.25 180.91 2c3m h GLY 69 N 1.27 0.99 1.38 0.00 0.00 -1.17 -0.25 103.07 105.28 2c3m h GLY 69 Ca 0.33 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 2c3m h GLY 69 CO -0.06 0.51 -0.30 0.00 0.00 0.00 0.00 176.54 176.69 2c3m h ALA 70 N 1.09 0.85 -0.57 3.60 0.00 -0.71 -1.44 119.26 122.07 2c3m h ALA 70 Ca 0.20 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2c3m h ALA 70 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2c3m h ALA 70 CO -0.02 0.63 0.27 0.28 0.00 0.00 0.00 179.25 180.42 2c3m h VAL 71 N 0.60 1.21 -0.37 0.00 2.07 -0.42 -0.97 116.25 118.36 2c3m h VAL 71 Ca 0.07 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2c3m h VAL 71 Cb 0.81 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2c3m h VAL 71 CO 0.07 0.24 0.23 -0.74 0.02 0.00 0.00 177.57 177.39 2c3m h HIS 72 N 0.78 0.48 -0.70 1.57 6.17 -0.72 -1.81 115.15 120.91 2c3m h HIS 72 Ca 0.20 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.23 2c3m h HIS 72 Cb 0.13 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 29.87 2c3m h HIS 72 CO -0.00 0.33 0.25 0.78 0.71 0.00 0.00 177.93 180.00 2c3m h GLY 73 N 0.49 1.15 1.02 5.26 0.00 -0.97 -0.21 103.07 109.80 2c3m h GLY 73 Ca 0.13 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 2c3m h GLY 73 CO -0.03 0.61 0.15 0.00 0.00 0.00 0.00 176.54 177.27 2c3m h ALA 74 N 1.12 0.79 -0.29 3.60 0.00 -1.00 -0.81 119.26 122.67 2c3m h ALA 74 Ca 0.23 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2c3m h ALA 74 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2c3m h ALA 74 CO -0.01 0.50 -0.10 -0.07 0.00 0.00 0.00 179.25 179.58 2c3m h LEU 75 N 0.88 0.59 -1.64 0.00 3.38 -1.13 -1.10 115.31 116.27 2c3m h LEU 75 Ca 0.19 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2c3m h LEU 75 Cb 0.35 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2c3m h LEU 75 CO 0.00 0.84 0.25 0.00 0.09 0.00 0.00 178.44 179.62 2c3m h ALA 76 N 0.77 1.75 -0.29 1.53 0.00 -0.88 -1.24 119.26 120.91 2c3m h ALA 76 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2c3m h ALA 76 Cb 0.59 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2c3m h ALA 76 CO 0.03 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.51 2c3m n ALA 77 N -2.48 2.90 -0.91 0.00 0.00 -0.32 -0.63 120.51 119.06 2c3m n ALA 77 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2c3m n ALA 77 Cb 0.08 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.55 0.44 3.49 0.00 0.00 -0.47 -4.72 105.19 104.48 2c3m n GLY 78 Ca 0.12 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 2.82 0.01 4.61 0.00 -0.45 -4.76 121.76 121.99 2c3m s ALA 79 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 2c3m s ALA 79 Cb 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 23.12 21.82 2c3m s ALA 79 CO 0.00 0.41 1.57 -0.51 0.00 0.00 0.00 175.76 177.23 2c3m s LEU 80 N -0.24 4.34 0.15 0.00 1.43 -1.26 -3.90 118.68 119.19 2c3m s LEU 80 Ca 0.02 2.30 0.07 0.00 -1.03 0.00 0.00 54.13 55.50 2c3m s LEU 80 Cb -0.13 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2c3m s LEU 80 CO 0.03 -0.84 -0.16 -0.89 0.23 0.00 0.00 176.35 174.71 2c3m s THR 81 N 2.93 1.56 0.18 5.49 2.01 -1.26 -0.87 115.64 125.68 2c3m s THR 81 Ca 0.70 -1.84 -0.11 0.00 0.31 0.00 0.00 61.69 60.76 2c3m s THR 81 Cb -0.35 -1.71 -0.00 0.00 0.01 0.00 0.00 72.50 70.45 2c3m s THR 81 CO 0.30 -0.39 0.34 0.28 -0.69 0.00 0.00 174.62 174.45 2c3m s THR 82 N -2.18 0.05 0.20 -0.82 -1.32 -0.83 -3.01 115.64 107.74 2c3m s THR 82 Ca 0.13 -1.29 -0.16 0.00 -1.21 0.00 0.00 61.69 59.16 2c3m s THR 82 Cb -0.05 -1.83 0.02 0.00 -1.51 0.00 0.00 72.50 69.13 2c3m s THR 82 CO 0.05 -0.24 0.50 0.28 -2.21 0.00 0.00 174.62 172.99 2c3m s THR 83 N -3.96 0.03 -0.07 5.08 -1.32 -1.15 -3.22 115.64 111.03 2c3m s THR 83 Ca 0.16 -0.95 0.01 0.00 -1.21 0.00 0.00 61.69 59.71 2c3m s THR 83 Cb 0.02 -1.71 0.02 0.00 -1.51 0.00 0.00 72.50 69.32 2c3m s THR 83 CO 0.00 -0.12 -0.09 -0.36 -2.21 0.00 0.00 174.62 171.84 2c3m s PHE 84 N -3.91 1.29 0.06 9.09 0.40 -1.26 -1.49 117.98 122.16 2c3m s PHE 84 Ca 0.12 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 55.94 2c3m s PHE 84 Cb -0.01 -1.00 0.01 0.00 0.51 0.00 0.00 43.02 42.53 2c3m s PHE 84 CO -0.01 -0.30 0.10 -2.37 0.70 0.00 0.00 175.22 173.35 2c3m n THR 85 N 4.10 0.00 -3.61 0.64 5.66 -0.72 -4.66 114.28 115.69 2c3m n THR 85 Ca -0.21 -0.20 -0.02 0.00 -3.05 0.00 0.00 64.05 60.57 2c3m n THR 85 Cb 0.51 0.16 -0.01 0.00 -1.55 0.00 0.00 70.33 69.44 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 -1.40 -2.12 0.00 1.79 0.00 -1.26 -2.08 121.76 116.69 2c3m s ALA 86 Ca 0.03 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2c3m s ALA 86 Cb -0.01 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2c3m s ALA 86 CO 0.02 -0.85 0.00 0.45 0.00 0.00 0.00 175.76 175.38 2c3m n SER 87 N -0.32 0.00 -0.27 0.00 2.88 -1.26 -0.22 113.62 114.44 2c3m n SER 87 Ca -0.05 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.68 2c3m n SER 87 Cb 0.61 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.56 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 0.44 -0.14 -1.46 1.08 -1.90 -0.83 115.11 112.30 2c3m h GLN 88 Ca 0.00 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2c3m h GLN 88 Cb 0.00 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2c3m h GLN 88 CO 0.00 0.29 0.01 0.78 -0.95 0.00 0.00 178.83 178.96 2c3m h GLY 89 N 0.45 0.25 0.85 3.46 0.00 -1.02 -2.82 103.07 104.24 2c3m h GLY 89 Ca 0.50 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.69 2c3m h GLY 89 CO -0.21 0.16 0.63 -2.00 0.00 0.00 0.00 176.54 175.12 2c3m h LEU 90 N -0.00 1.04 -1.03 3.11 5.85 -0.26 -1.87 115.31 122.14 2c3m h LEU 90 Ca 0.04 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.83 2c3m h LEU 90 Cb 0.32 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 2c3m h LEU 90 CO 0.00 0.70 0.64 -0.07 -0.34 0.00 0.00 178.44 179.37 2c3m h LEU 91 N 1.20 1.00 -1.12 2.25 3.38 -1.18 0.33 115.31 121.16 2c3m h LEU 91 Ca 0.39 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2c3m h LEU 91 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2c3m h LEU 91 CO -0.13 0.61 0.00 -0.07 0.09 0.00 0.00 178.44 178.94 2c3m h LEU 92 N 1.12 0.00 0.00 1.67 3.38 -1.10 -2.78 115.31 117.60 2c3m h LEU 92 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2c3m h LEU 92 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2c3m h LEU 92 CO -0.19 0.00 -0.68 0.24 0.09 0.00 0.00 178.44 177.90 2c3m h MET 93 N 0.00 0.00 -0.67 1.13 2.86 -0.73 -3.38 114.93 114.14 2c3m h MET 93 Ca 0.00 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 2c3m h MET 93 Cb 0.43 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.97 2c3m h MET 93 CO 0.00 0.00 -0.14 0.82 1.06 0.00 0.00 176.91 178.65 2c3m h ILE 94 N 0.00 0.34 -0.70 -1.22 2.04 -1.18 -1.17 117.51 115.62 2c3m h ILE 94 Ca 0.00 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 65.94 2c3m h ILE 94 Cb 0.78 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 2c3m h ILE 94 CO 0.00 0.00 0.36 -0.65 0.00 0.00 0.00 178.15 177.86 2c3m h PRO 95 N 0.02 0.61 0.00 2.37 0.11 -1.81 -0.56 132.00 132.74 2c3m h PRO 95 Ca 0.33 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 2c3m h PRO 95 Cb 0.52 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 2c3m h PRO 95 CO -0.67 0.40 -0.14 -0.91 -0.21 0.00 0.00 178.00 176.47 2c3m h ASN 96 N 0.62 0.00 -0.56 -2.05 2.35 -1.61 -3.01 115.58 111.32 2c3m h ASN 96 Ca 0.34 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.00 2c3m h ASN 96 Cb 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 2c3m h ASN 96 CO -0.25 0.14 0.01 0.24 -1.65 0.00 0.00 177.43 175.92 2c3m h MET 97 N 0.00 1.01 -0.51 0.81 2.86 0.06 0.21 114.93 119.36 2c3m h MET 97 Ca -0.00 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.30 2c3m h MET 97 Cb 0.72 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2c3m h MET 97 CO 0.02 0.99 0.20 1.88 1.06 0.00 0.00 176.91 181.05 2c3m h TYR 98 N 0.93 0.73 -0.07 -0.22 -1.99 -1.35 -0.94 116.97 114.06 2c3m h TYR 98 Ca 0.17 -0.04 -0.15 0.00 2.00 0.00 0.00 58.73 60.71 2c3m h TYR 98 Cb 0.53 -0.23 0.01 0.00 2.00 0.00 0.00 36.73 39.04 2c3m h TYR 98 CO 0.04 0.58 -0.56 0.87 -0.00 0.00 0.00 178.16 179.09 2c3m h LYS 99 N 0.73 0.50 -0.45 4.88 1.79 -1.41 0.59 116.57 123.20 2c3m h LYS 99 Ca 0.17 -0.45 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 2c3m h LYS 99 Cb 0.16 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2c3m h LYS 99 CO -0.02 1.08 0.23 0.82 -1.08 0.00 0.00 179.45 180.48 2c3m h ILE 100 N 0.08 1.18 -0.11 1.86 2.04 -0.34 0.35 117.51 122.57 2c3m h ILE 100 Ca -0.05 -0.49 -0.23 0.00 1.00 0.00 0.00 64.86 65.09 2c3m h ILE 100 Cb 1.22 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2c3m h ILE 100 CO 0.11 0.19 -0.84 0.77 0.00 0.00 0.00 178.15 178.38 2c3m h SER 101 N 0.59 0.91 -0.70 1.72 4.64 -1.26 -1.66 113.55 117.79 2c3m h SER 101 Ca 0.16 -0.63 0.09 0.00 -0.47 0.00 0.00 61.79 60.94 2c3m h SER 101 Cb 0.10 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 2c3m h SER 101 CO -0.02 1.43 0.46 1.23 -0.87 0.00 0.00 176.83 179.06 2c3m h GLY 102 N 0.57 0.83 -2.35 -0.77 0.00 -0.56 0.40 103.07 101.19 2c3m h GLY 102 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2c3m h GLY 102 CO 0.17 0.15 0.00 1.18 0.00 0.00 0.00 176.54 178.04 2c3m n GLU 103 N -4.49 2.82 -3.86 4.80 1.02 0.09 -4.97 120.64 116.06 2c3m n GLU 103 Ca 0.11 -2.16 -0.37 0.00 -0.02 0.00 0.00 57.16 54.72 2c3m n GLU 103 Cb 0.33 -1.64 0.03 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.96 -1.78 -4.73 -4.62 4.77 0.13 -4.97 117.00 106.75 2c3m n LEU 104 Ca 0.20 -1.13 -0.35 0.00 -0.03 0.00 0.00 56.01 54.69 2c3m n LEU 104 Cb 0.63 -2.07 -0.08 0.00 -2.33 0.00 0.00 43.42 39.56 2c3m n LEU 104 CO 0.17 0.60 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.82 2c3m s LEU 105 N -6.90 3.91 0.00 2.23 1.43 -0.64 -4.69 118.68 114.02 2c3m s LEU 105 Ca 0.45 0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.75 2c3m s LEU 105 Cb -0.20 -1.94 -0.14 0.00 0.03 0.00 0.00 46.19 43.94 2c3m s LEU 105 CO 0.91 0.33 2.31 -0.81 0.23 0.00 0.00 176.35 179.32 2c3m n PRO 106 N 2.48 1.19 -2.09 1.29 -0.04 -1.26 -2.63 135.00 133.95 2c3m n PRO 106 Ca -0.18 -0.51 -0.31 0.00 -0.04 0.00 0.00 63.50 62.45 2c3m n PRO 106 Cb 0.54 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 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 2.24 1.82 -0.09 0.55 0.00 -1.26 -4.66 107.32 105.93 2c3m s GLY 107 Ca 0.34 0.02 -0.02 0.00 0.00 0.00 0.00 44.72 45.07 2c3m s GLY 107 CO 0.00 0.29 0.01 0.14 0.00 0.00 0.00 173.10 173.54 2c3m s VAL 108 N -2.95 0.38 -0.19 1.40 1.01 -1.16 -0.77 120.40 118.11 2c3m s VAL 108 Ca 0.57 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.51 2c3m s VAL 108 Cb -0.11 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2c3m s VAL 108 CO 0.45 0.20 0.07 -0.36 0.00 0.00 0.00 175.10 175.46 2c3m s PHE 109 N 1.97 3.24 -0.29 5.22 2.99 0.51 -2.95 117.98 128.67 2c3m s PHE 109 Ca 0.04 0.05 -0.09 0.00 0.00 0.00 0.00 56.93 56.93 2c3m s PHE 109 Cb -0.13 -2.11 -0.02 0.00 0.00 0.00 0.00 43.02 40.76 2c3m s PHE 109 CO -0.06 0.10 0.14 -1.01 -0.00 0.00 0.00 175.22 174.39 2c3m s HIS 110 N 0.56 3.16 -0.11 0.36 3.76 -0.55 -0.25 115.29 122.22 2c3m s HIS 110 Ca 0.04 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 2c3m s HIS 110 Cb -0.13 -2.33 -0.00 0.00 1.11 0.00 0.00 32.58 31.23 2c3m s HIS 110 CO 0.01 -0.40 -0.21 0.08 -0.85 0.00 0.00 174.74 173.37 2c3m s VAL 111 N 1.63 2.31 -0.67 -0.90 1.01 0.47 -1.76 120.40 122.49 2c3m s VAL 111 Ca 0.05 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 2c3m s VAL 111 Cb -0.16 -1.91 0.12 0.00 0.00 0.00 0.00 36.38 34.42 2c3m s VAL 111 CO 0.06 0.55 0.79 0.42 0.00 0.00 0.00 175.10 176.93 2c3m s THR 112 N 0.33 4.84 -0.22 3.92 -4.23 -0.88 -1.75 115.64 117.65 2c3m s THR 112 Ca -0.17 -1.17 -0.37 0.00 -1.18 0.00 0.00 61.69 58.80 2c3m s THR 112 Cb -0.17 -4.55 -0.14 0.00 1.34 0.00 0.00 72.50 68.98 2c3m s THR 112 CO 0.08 -1.20 1.86 0.00 -0.54 0.00 0.00 174.62 174.82 2c3m n ALA 113 N 6.25 0.39 -2.81 3.99 0.00 0.10 -4.45 120.51 123.99 2c3m n ALA 113 Ca -0.02 0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 2c3m n ALA 113 Cb 0.44 -2.37 -0.11 0.00 0.00 0.00 0.00 19.45 17.40 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 4.14 0.58 0.63 0.00 3.52 -1.06 -0.75 118.95 126.01 2c3m s ARG 114 Ca 0.98 -0.81 -0.18 0.00 -0.13 0.00 0.00 55.73 55.59 2c3m s ARG 114 Cb -0.90 -0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 32.11 2c3m s ARG 114 CO 0.58 0.06 1.11 0.00 -0.81 0.00 0.00 175.30 176.25 2c3m n ALA 115 N 1.37 0.59 -2.76 6.12 0.00 0.13 -3.52 120.51 122.45 2c3m n ALA 115 Ca -0.22 -0.01 -0.35 0.00 0.00 0.00 0.00 53.44 52.86 2c3m n ALA 115 Cb 0.55 -2.21 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.48 5.31 -0.15 0.00 -1.09 -1.26 -4.68 121.20 117.86 2c3m s ILE 116 Ca 0.79 0.20 -0.29 0.00 -2.23 0.00 0.00 60.65 59.12 2c3m s ILE 116 Cb -0.39 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 2c3m s ILE 116 CO 0.44 0.40 1.28 0.00 -1.23 0.00 0.00 174.94 175.83 2c3m s ALA 117 N -1.26 3.64 0.00 9.38 0.00 -1.26 -4.77 121.76 127.49 2c3m s ALA 117 Ca 0.26 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2c3m s ALA 117 Cb -0.13 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2c3m s ALA 117 CO 0.15 -1.14 0.00 0.00 0.00 0.00 0.00 175.76 174.76 2c3m n ALA 118 N 6.48 0.97 0.21 0.00 0.00 -1.26 -4.87 120.51 122.05 2c3m n ALA 118 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.68 2c3m n ALA 118 Cb 0.45 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.24 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 -3.02 0.00 2.07 -1.89 -3.46 115.15 108.85 2c3m h HIS 119 Ca 0.00 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.54 2c3m h HIS 119 Cb 0.00 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 29.89 2c3m h HIS 119 CO 0.00 0.20 0.21 0.00 -3.07 0.00 0.00 177.93 175.27 2c3m s ALA 120 N -3.41 -1.38 0.20 6.11 0.00 -1.26 -4.47 121.76 117.55 2c3m s ALA 120 Ca 0.03 0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.98 2c3m s ALA 120 Cb 0.08 0.87 -0.07 0.00 0.00 0.00 0.00 23.12 24.01 2c3m s ALA 120 CO 0.65 -0.89 0.50 -1.17 0.00 0.00 0.00 175.76 174.84 2c3m s LEU 121 N -2.84 4.21 -0.15 0.00 0.20 -1.26 -4.27 118.68 114.57 2c3m s LEU 121 Ca 0.06 0.83 -0.09 0.00 0.69 0.00 0.00 54.13 55.62 2c3m s LEU 121 Cb -0.03 -3.54 0.05 0.00 -0.43 0.00 0.00 46.19 42.24 2c3m s LEU 121 CO -0.03 -0.02 0.36 -0.55 -0.29 0.00 0.00 176.35 175.81 2c3m s SER 122 N -2.34 -0.43 0.00 3.68 0.15 -1.26 -5.01 113.70 108.49 2c3m s SER 122 Ca 0.45 0.77 0.26 0.00 0.70 0.00 0.00 55.95 58.13 2c3m s SER 122 Cb -0.12 0.67 0.86 0.00 -1.71 0.00 0.00 66.02 65.72 2c3m s SER 122 CO 0.22 -0.18 1.63 2.30 1.20 0.00 0.00 173.24 178.41 2c3m n ILE 123 N 4.10 0.07 -2.42 6.45 -5.35 -1.26 -4.34 119.36 116.61 2c3m n ILE 123 Ca -0.23 -0.32 -0.25 0.00 -0.27 0.00 0.00 62.75 61.68 2c3m n ILE 123 Cb 0.55 0.59 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 -1.93 3.02 0.12 4.28 0.08 -1.26 -4.39 117.98 117.90 2c3m s PHE 124 Ca 0.36 0.38 -0.30 0.00 0.12 0.00 0.00 56.93 57.49 2c3m s PHE 124 Cb 0.20 -2.90 -0.06 0.00 -0.57 0.00 0.00 43.02 39.69 2c3m s PHE 124 CO 0.31 -1.04 1.05 0.20 -0.10 0.00 0.00 175.22 175.64 2c3m s GLY 125 N -4.41 2.85 -0.01 4.36 0.00 -1.18 -0.69 107.32 108.24 2c3m s GLY 125 Ca 0.57 0.70 -0.30 0.00 0.00 0.00 0.00 44.72 45.69 2c3m s GLY 125 CO 0.43 1.64 1.29 0.51 0.00 0.00 0.00 173.10 176.97 2c3m s ASP 126 N 0.23 -0.03 -0.11 1.64 3.84 -1.11 0.36 116.67 121.48 2c3m s ASP 126 Ca 0.50 -0.17 0.15 0.00 -0.00 0.00 0.00 52.55 53.03 2c3m s ASP 126 Cb -0.26 0.16 0.64 0.00 -1.38 0.00 0.00 42.92 42.08 2c3m s ASP 126 CO 0.31 -0.31 1.52 1.41 -0.00 0.00 0.00 175.17 178.11 2c3m n HIS 127 N -0.63 1.37 -0.21 2.11 8.25 0.65 -2.55 115.22 124.20 2c3m n HIS 127 Ca -0.05 -0.53 0.03 0.00 -0.26 0.00 0.00 57.72 56.92 2c3m n HIS 127 Cb 0.61 -0.26 0.29 0.00 1.12 0.00 0.00 29.99 31.75 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 3.52 0.89 -0.02 -0.41 4.20 -1.79 -1.80 115.11 119.70 2c3m h GLN 128 Ca 0.00 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2c3m h GLN 128 Cb 1.36 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2c3m h GLN 128 CO 0.24 0.59 -0.12 0.38 -0.67 0.00 0.00 178.83 179.25 2c3m h ASP 129 N 0.92 0.14 0.06 1.46 -0.00 -1.77 -2.91 116.42 114.32 2c3m h ASP 129 Ca 0.30 -0.66 -0.08 0.00 -0.00 0.00 0.00 57.03 56.60 2c3m h ASP 129 Cb 0.06 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 39.34 2c3m h ASP 129 CO -0.09 0.78 -0.23 0.16 -0.00 0.00 0.00 179.24 179.86 2c3m h ILE 130 N -0.49 1.24 0.00 4.15 -0.00 -1.85 -2.11 117.51 118.45 2c3m h ILE 130 Ca -0.01 -1.11 -0.07 0.00 -0.00 0.00 0.00 64.86 63.68 2c3m h ILE 130 Cb 0.78 1.37 -0.01 0.00 -0.00 0.00 0.00 36.82 38.96 2c3m h ILE 130 CO 0.02 0.34 -0.31 1.88 -0.00 0.00 0.00 178.15 180.09 2c3m h TYR 131 N 0.27 0.00 0.00 0.16 0.99 -1.40 -2.41 116.97 114.59 2c3m h TYR 131 Ca 0.05 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 2c3m h TYR 131 Cb 0.56 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.29 2c3m h TYR 131 CO 0.01 0.31 -0.02 0.00 -0.00 0.00 0.00 178.16 178.46 2c3m h ALA 132 N 1.69 1.03 -0.38 3.88 0.00 -1.16 -2.69 119.26 121.63 2c3m h ALA 132 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2c3m h ALA 132 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2c3m h ALA 132 CO 0.04 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2c3m n ALA 133 N -2.12 2.42 0.28 0.00 0.00 -0.91 -4.67 120.51 115.52 2c3m n ALA 133 Ca -0.01 -1.42 0.16 0.00 0.00 0.00 0.00 53.44 52.17 2c3m n ALA 133 Cb 0.23 -0.57 0.81 0.00 0.00 0.00 0.00 19.45 19.92 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 2.28 0.00 -0.31 0.00 0.11 -1.41 -2.40 114.38 112.65 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 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2c3m h ARG 134 CO 0.06 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.13 2c3m n GLN 135 N -2.69 2.47 0.12 0.08 0.00 -1.26 -4.39 117.38 111.70 2c3m n GLN 135 Ca -0.01 -2.22 0.12 0.00 0.00 0.00 0.00 57.00 54.89 2c3m n GLN 135 Cb 0.13 -1.50 0.47 0.00 0.00 0.00 0.00 30.24 29.34 2c3m n GLN 135 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2c3m n THR 136 N 1.47 0.76 -0.15 -0.39 -2.24 -0.90 -4.89 114.28 107.93 2c3m n THR 136 Ca 0.18 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 2c3m n THR 136 Cb 0.61 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 2c3m n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3m n GLY 137 N 0.35 0.57 3.76 3.38 0.00 -1.26 -4.06 105.19 107.94 2c3m n GLY 137 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.30 3.73 0.51 1.61 0.40 -1.26 -4.76 117.98 115.91 2c3m s PHE 138 Ca 0.00 1.80 -0.19 0.00 -0.60 0.00 0.00 56.93 57.93 2c3m s PHE 138 Cb 0.00 -3.07 -0.07 0.00 0.51 0.00 0.00 43.02 40.38 2c3m s PHE 138 CO 0.00 -0.01 1.06 0.00 0.70 0.00 0.00 175.22 176.97 2c3m s ALA 139 N -1.32 2.82 -0.11 5.36 0.00 0.06 -4.80 121.76 123.77 2c3m s ALA 139 Ca 0.46 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.02 2c3m s ALA 139 Cb -0.26 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.62 2c3m s ALA 139 CO 0.32 -0.48 -0.06 -1.64 0.00 0.00 0.00 175.76 173.91 2c3m s MET 140 N -3.39 1.32 -0.15 0.00 -1.94 0.16 -0.82 119.30 114.48 2c3m s MET 140 Ca 0.68 -0.23 0.02 0.00 -1.71 0.00 0.00 55.69 54.45 2c3m s MET 140 Cb -0.17 -1.55 0.01 0.00 2.01 0.00 0.00 34.83 35.13 2c3m s MET 140 CO 0.24 -0.31 -0.21 -1.17 -0.01 0.00 0.00 175.02 173.57 2c3m s LEU 141 N 1.75 2.07 -0.09 -0.03 2.96 -0.66 -0.78 118.68 123.90 2c3m s LEU 141 Ca 0.04 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 2c3m s LEU 141 Cb -0.13 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2c3m s LEU 141 CO -0.08 0.05 0.10 0.00 -1.32 0.00 0.00 176.35 175.09 2c3m s ALA 142 N 1.00 3.68 -0.00 5.97 0.00 0.24 -1.37 121.76 131.28 2c3m s ALA 142 Ca -0.03 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2c3m s ALA 142 Cb -0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 2c3m s ALA 142 CO -0.06 0.62 -0.16 -1.54 0.00 0.00 0.00 175.76 174.63 2c3m s SER 143 N -1.10 3.90 0.00 0.00 1.04 -0.59 -4.70 113.70 112.26 2c3m s SER 143 Ca 0.16 -0.31 0.11 0.00 0.48 0.00 0.00 55.95 56.39 2c3m s SER 143 Cb -0.12 -0.72 0.18 0.00 0.10 0.00 0.00 66.02 65.46 2c3m s SER 143 CO 0.05 0.30 1.02 -1.54 0.98 0.00 0.00 173.24 174.05 2c3m n SER 144 N 1.92 2.34 -3.88 7.02 3.41 -1.26 -4.39 113.62 118.78 2c3m n SER 144 Ca -0.16 -1.68 -0.08 0.00 -0.26 0.00 0.00 58.87 56.69 2c3m n SER 144 Cb 0.52 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.97 -0.22 0.17 4.04 1.04 -1.26 -3.79 113.70 112.71 2c3m s SER 145 Ca 0.17 -0.68 -0.14 0.00 0.48 0.00 0.00 55.95 55.78 2c3m s SER 145 Cb 0.11 0.67 0.07 0.00 0.10 0.00 0.00 66.02 66.97 2c3m s SER 145 CO 0.15 -1.26 1.82 0.58 0.98 0.00 0.00 173.24 175.51 2c3m h VAL 146 N 2.09 1.09 -0.57 5.02 2.07 -1.92 0.17 116.25 124.20 2c3m h VAL 146 Ca -0.22 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2c3m h VAL 146 Cb 1.25 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2c3m h VAL 146 CO 0.28 0.12 0.27 -0.61 0.02 0.00 0.00 177.57 177.65 2c3m h GLN 147 N 0.63 0.83 -0.15 1.57 5.75 -1.95 -2.53 115.11 119.25 2c3m h GLN 147 Ca 0.19 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.49 2c3m h GLN 147 Cb -0.03 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 2c3m h GLN 147 CO -0.06 0.68 -0.25 0.93 -2.65 0.00 0.00 178.83 177.47 2c3m h GLU 148 N 0.78 0.27 -0.73 1.69 5.08 -1.82 -2.67 114.58 117.17 2c3m h GLU 148 Ca 0.20 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2c3m h GLU 148 Cb 0.13 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 2c3m h GLU 148 CO -0.02 0.51 0.43 0.00 -1.00 0.00 0.00 179.01 178.93 2c3m h ALA 149 N 1.50 1.00 0.20 3.43 0.00 -0.24 0.23 119.26 125.37 2c3m h ALA 149 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2c3m h ALA 149 Cb 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2c3m h ALA 149 CO 0.04 0.13 -0.10 1.25 0.00 0.00 0.00 179.25 180.58 2c3m h HIS 150 N 0.79 -0.25 -0.36 0.00 -0.00 -1.36 -1.61 115.15 112.36 2c3m h HIS 150 Ca 0.33 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.68 2c3m h HIS 150 Cb 0.18 0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 2c3m h HIS 150 CO -0.06 0.02 0.19 -0.44 -0.00 0.00 0.00 177.93 177.64 2c3m h ASP 151 N -0.49 0.46 0.01 3.26 3.32 -1.14 -2.61 116.42 119.22 2c3m h ASP 151 Ca -0.03 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 2c3m h ASP 151 Cb 0.37 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2c3m h ASP 151 CO 0.04 0.42 -0.34 0.24 -1.72 0.00 0.00 179.24 177.89 2c3m h MET 152 N 0.45 0.46 -0.84 3.56 2.86 -0.62 -1.71 114.93 119.10 2c3m h MET 152 Ca 0.13 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2c3m h MET 152 Cb 0.07 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 2c3m h MET 152 CO -0.02 0.74 0.55 0.00 1.06 0.00 0.00 176.91 179.25 2c3m h ALA 153 N 1.25 1.07 -0.21 6.32 0.00 -1.12 0.86 119.26 127.43 2c3m h ALA 153 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2c3m h ALA 153 Cb 0.78 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2c3m h ALA 153 CO 0.06 0.45 -0.07 1.25 0.00 0.00 0.00 179.25 180.94 2c3m h LEU 154 N 1.12 0.43 -0.61 0.00 6.46 -1.10 -2.38 115.31 119.21 2c3m h LEU 154 Ca 0.31 -0.38 0.03 0.00 -0.12 0.00 0.00 57.88 57.72 2c3m h LEU 154 Cb -0.10 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.68 2c3m h LEU 154 CO -0.08 0.71 0.37 0.58 -0.62 0.00 0.00 178.44 179.41 2c3m h VAL 155 N 0.14 1.07 -0.31 1.05 2.07 -0.99 -1.40 116.25 117.87 2c3m h VAL 155 Ca 0.05 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.35 2c3m h VAL 155 Cb 0.54 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2c3m h VAL 155 CO 0.02 0.13 0.10 0.00 0.02 0.00 0.00 177.57 177.85 2c3m h ALA 156 N 1.27 0.35 -0.02 1.67 0.00 -0.73 0.24 119.26 122.05 2c3m h ALA 156 Ca 0.25 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2c3m h ALA 156 Cb 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2c3m h ALA 156 CO -0.11 -0.30 0.01 0.45 0.00 0.00 0.00 179.25 179.30 2c3m h HIS 157 N 0.23 0.04 -0.52 0.00 -0.00 -1.14 -0.49 115.15 113.28 2c3m h HIS 157 Ca 0.14 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.52 2c3m h HIS 157 Cb 0.11 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.49 2c3m h HIS 157 CO -0.14 0.15 0.34 -0.07 -0.00 0.00 0.00 177.93 178.21 2c3m h LEU 158 N -0.09 0.58 -0.72 2.43 3.38 -1.02 -2.39 115.31 117.48 2c3m h LEU 158 Ca 0.01 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2c3m h LEU 158 Cb 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2c3m h LEU 158 CO -0.00 0.42 -0.17 0.00 0.09 0.00 0.00 178.44 178.77 2c3m h ALA 159 N 1.20 0.91 -0.42 1.53 0.00 -0.43 -2.68 119.26 119.36 2c3m h ALA 159 Ca 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2c3m h ALA 159 Cb -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2c3m h ALA 159 CO -0.05 0.62 0.23 0.00 0.00 0.00 0.00 179.25 180.06 2c3m h ALA 160 N 1.10 0.54 -0.31 0.00 0.00 -0.87 0.85 119.26 120.57 2c3m h ALA 160 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2c3m h ALA 160 Cb 0.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2c3m h ALA 160 CO 0.05 0.06 0.20 0.82 0.00 0.00 0.00 179.25 180.38 2c3m h ILE 161 N 0.55 1.08 0.03 0.00 2.04 -1.33 0.02 117.51 119.91 2c3m h ILE 161 Ca 0.15 -0.16 -0.25 0.00 1.00 0.00 0.00 64.86 65.60 2c3m h ILE 161 Cb 0.05 0.63 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2c3m h ILE 161 CO -0.02 0.08 -1.05 -0.08 0.00 0.00 0.00 178.15 177.08 2c3m h GLU 162 N 0.42 0.50 0.00 2.37 4.81 -1.35 -3.35 114.58 117.98 2c3m h GLU 162 Ca 0.11 -0.58 -0.07 0.00 -0.13 0.00 0.00 59.36 58.69 2c3m h GLU 162 Cb -0.04 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2c3m h GLU 162 CO -0.02 1.22 -0.75 0.66 -0.73 0.00 0.00 179.01 179.38 2c3m h SER 163 N 0.26 0.00 -0.38 1.04 4.64 -0.81 -3.48 113.55 114.83 2c3m h SER 163 Ca -0.11 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.04 2c3m h SER 163 Cb 1.70 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.73 2c3m h SER 163 CO 0.19 0.26 -0.15 0.59 -0.87 0.00 0.00 176.83 176.85 2c3m n ASN 164 N -2.96 -4.23 -4.37 4.97 4.13 -0.01 -4.94 115.26 107.86 2c3m n ASN 164 Ca -0.01 0.20 -0.33 0.00 1.68 0.00 0.00 54.58 56.11 2c3m n ASN 164 Cb 0.66 -2.43 -0.14 0.00 -1.54 0.00 0.00 39.78 36.33 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 -2.20 3.18 0.54 2.41 1.01 -1.24 -3.33 120.40 120.77 2c3m s VAL 165 Ca 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 2c3m s VAL 165 Cb 0.00 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2c3m s VAL 165 CO 0.00 0.50 1.20 -2.16 0.00 0.00 0.00 175.10 174.65 2c3m s PRO 166 N 0.60 3.29 0.13 2.72 0.04 -1.08 -4.35 135.00 136.34 2c3m s PRO 166 Ca -0.06 1.83 0.09 0.00 0.04 0.00 0.00 61.00 62.90 2c3m s PRO 166 Cb -0.15 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2c3m s PRO 166 CO 0.03 -0.95 -0.19 -0.06 0.04 0.00 0.00 177.00 175.87 2c3m s PHE 167 N -1.57 2.50 -0.28 0.56 0.40 0.05 -0.76 117.98 118.89 2c3m s PHE 167 Ca 0.72 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.79 2c3m s PHE 167 Cb -0.30 -1.32 0.07 0.00 0.51 0.00 0.00 43.02 41.98 2c3m s PHE 167 CO 0.34 0.39 -0.04 1.41 0.70 0.00 0.00 175.22 178.02 2c3m s MET 168 N -2.19 1.82 -0.21 0.44 -2.45 -0.00 -0.36 119.30 116.35 2c3m s MET 168 Ca 0.18 -1.39 -0.15 0.00 -1.25 0.00 0.00 55.69 53.07 2c3m s MET 168 Cb -0.10 -2.86 -0.04 0.00 1.25 0.00 0.00 34.83 33.08 2c3m s MET 168 CO 0.10 -0.69 0.38 -1.58 1.05 0.00 0.00 175.02 174.28 2c3m s HIS 169 N 1.14 3.35 0.07 4.11 2.46 0.66 -1.65 115.29 125.43 2c3m s HIS 169 Ca -0.02 0.57 0.04 0.00 0.47 0.00 0.00 55.06 56.12 2c3m s HIS 169 Cb -0.19 -2.52 -0.03 0.00 -0.13 0.00 0.00 32.58 29.71 2c3m s HIS 169 CO -0.07 -0.04 -0.11 -0.59 -2.47 0.00 0.00 174.74 171.47 2c3m s PHE 170 N 1.40 0.96 0.04 3.88 -0.12 -0.47 -0.40 117.98 123.28 2c3m s PHE 170 Ca 0.18 -0.52 -0.08 0.00 -0.05 0.00 0.00 56.93 56.45 2c3m s PHE 170 Cb -0.15 -0.55 -0.00 0.00 -0.63 0.00 0.00 43.02 41.69 2c3m s PHE 170 CO 0.08 -0.01 0.17 -0.59 -0.05 0.00 0.00 175.22 174.82 2c3m s PHE 171 N -1.60 0.10 0.13 3.49 -0.12 -0.72 -1.54 117.98 117.72 2c3m s PHE 171 Ca -0.03 -0.37 -0.31 0.00 -0.05 0.00 0.00 56.93 56.17 2c3m s PHE 171 Cb -0.08 -0.06 -0.11 0.00 -0.63 0.00 0.00 43.02 42.14 2c3m s PHE 171 CO 0.01 -0.43 1.83 -0.25 -0.05 0.00 0.00 175.22 176.33 2c3m n ASP 172 N 0.61 4.03 -4.72 1.98 10.43 -1.26 -0.72 116.55 126.90 2c3m n ASP 172 Ca -0.18 0.99 -0.43 0.00 2.57 0.00 0.00 54.79 57.74 2c3m n ASP 172 Cb 0.59 -1.54 -0.03 0.00 1.84 0.00 0.00 41.12 41.98 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 4.21 1.37 5.00 0.44 0.00 0.07 -1.66 105.19 114.61 2c3m n GLY 173 Ca 0.18 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 3.21 0.00 -0.13 1.61 3.72 -1.26 -3.10 117.46 121.50 2c3m n PHE 174 Ca 0.14 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.75 2c3m n PHE 174 Cb 0.34 0.00 0.62 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 0.16 0.00 -1.08 9.65 -1.95 -1.15 114.38 120.01 2c3m h ARG 175 Ca 0.00 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2c3m h ARG 175 Cb 0.00 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2c3m h ARG 175 CO 0.00 0.11 -1.15 2.41 2.80 0.00 0.00 179.97 184.14 2c3m n THR 176 N -4.40 0.15 -0.28 0.20 -1.04 -0.67 -4.39 114.28 103.86 2c3m n THR 176 Ca 0.15 -0.05 0.01 0.00 -2.04 0.00 0.00 64.05 62.12 2c3m n THR 176 Cb 0.71 -0.86 0.21 0.00 -1.82 0.00 0.00 70.33 68.57 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 -0.03 0.94 -0.25 8.00 4.64 -1.39 -2.06 113.55 123.40 2c3m h SER 177 Ca -0.06 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2c3m h SER 177 Cb 1.08 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2c3m h SER 177 CO -0.02 0.66 0.00 1.41 -0.87 0.00 0.00 176.83 178.01 2c3m n HIS 178 N -4.44 0.32 -2.92 4.77 8.25 -0.45 -1.96 115.22 118.79 2c3m n HIS 178 Ca 0.11 -0.28 -0.40 0.00 -0.26 0.00 0.00 57.72 56.89 2c3m n HIS 178 Cb 0.09 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.06 4.54 -0.13 -0.41 2.12 -1.13 -4.73 118.70 117.91 2c3m s GLU 179 Ca 0.23 1.16 -0.11 0.00 0.36 0.00 0.00 54.97 56.61 2c3m s GLU 179 Cb 0.13 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 2c3m s GLU 179 CO 0.18 0.28 0.24 0.42 -0.54 0.00 0.00 175.26 175.83 2c3m s ILE 180 N -0.07 5.34 0.00 -3.70 1.01 0.74 -3.44 121.20 121.08 2c3m s ILE 180 Ca 0.40 0.43 -0.11 0.00 0.00 0.00 0.00 60.65 61.37 2c3m s ILE 180 Cb -0.21 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.73 2c3m s ILE 180 CO 0.25 0.51 0.23 -1.10 0.00 0.00 0.00 174.94 174.83 2c3m s GLN 181 N -0.31 0.62 -0.25 2.79 -1.52 -0.15 -1.04 119.66 119.80 2c3m s GLN 181 Ca 0.16 -0.35 -0.26 0.00 -1.95 0.00 0.00 55.36 52.96 2c3m s GLN 181 Cb -0.13 0.27 0.00 0.00 -0.22 0.00 0.00 33.01 32.93 2c3m s GLN 181 CO 0.05 -0.17 0.89 0.21 -0.25 0.00 0.00 175.29 176.02 2c3m s LYS 182 N -1.62 4.16 0.33 2.91 2.20 -1.15 -1.75 119.74 124.82 2c3m s LYS 182 Ca -0.12 1.01 0.05 0.00 -0.36 0.00 0.00 55.97 56.55 2c3m s LYS 182 Cb -0.05 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 2c3m s LYS 182 CO 0.02 -0.60 0.17 0.44 -0.36 0.00 0.00 175.35 175.02 2c3m n ILE 183 N 5.35 0.00 -4.99 5.43 -5.35 0.16 -4.84 119.36 115.13 2c3m n ILE 183 Ca 0.07 -2.11 -0.32 0.00 -0.27 0.00 0.00 62.75 60.12 2c3m n ILE 183 Cb 0.47 0.87 -0.16 0.00 -1.74 0.00 0.00 39.64 39.08 2c3m n ILE 183 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2c3m s GLU 184 N -3.30 3.17 0.18 6.28 2.12 -1.26 -0.36 118.70 125.52 2c3m s GLU 184 Ca 0.24 -0.81 0.11 0.00 0.36 0.00 0.00 54.97 54.88 2c3m s GLU 184 Cb 0.01 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.92 2c3m s GLU 184 CO 0.17 0.16 -0.21 0.14 -0.54 0.00 0.00 175.26 174.98 2c3m s VAL 185 N 0.41 2.52 0.23 3.70 -7.23 -0.53 -4.95 120.40 114.55 2c3m s VAL 185 Ca -0.15 -1.91 -0.09 0.00 -1.81 0.00 0.00 61.98 58.02 2c3m s VAL 185 Cb -0.17 -2.21 -0.07 0.00 0.56 0.00 0.00 36.38 34.49 2c3m s VAL 185 CO 0.06 -0.08 0.54 -0.76 -0.31 0.00 0.00 175.10 174.56 2c3m s LEU 186 N -2.61 4.17 0.67 1.32 1.43 -1.26 -2.30 118.68 120.10 2c3m s LEU 186 Ca 0.21 0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 54.08 2c3m s LEU 186 Cb -0.08 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.47 2c3m s LEU 186 CO 0.10 -0.07 1.08 -1.81 0.23 0.00 0.00 176.35 175.88 2c3m s ASP 187 N -2.38 5.28 0.39 2.29 1.01 -0.07 -4.92 116.67 118.26 2c3m s ASP 187 Ca 0.47 1.80 0.08 0.00 0.71 0.00 0.00 52.55 55.61 2c3m s ASP 187 Cb -0.11 -2.52 0.78 0.00 1.01 0.00 0.00 42.92 42.07 2c3m s ASP 187 CO 0.21 -1.51 1.94 1.88 0.21 0.00 0.00 175.17 177.90 2c3m h TYR 188 N -0.28 0.34 -0.97 4.23 -1.99 -1.98 -2.55 116.97 113.77 2c3m h TYR 188 Ca -0.45 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.25 2c3m h TYR 188 Cb 1.22 -0.10 -0.05 0.00 2.00 0.00 0.00 36.73 39.81 2c3m h TYR 188 CO 0.59 0.38 0.61 0.00 -0.00 0.00 0.00 178.16 179.73 2c3m h ALA 189 N 1.65 1.25 -0.42 3.88 0.00 -1.96 -0.66 119.26 123.00 2c3m h ALA 189 Ca 0.07 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2c3m h ALA 189 Cb 0.28 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2c3m h ALA 189 CO 0.01 0.66 -0.21 -0.44 0.00 0.00 0.00 179.25 179.28 2c3m h ASP 190 N 1.32 0.91 -0.60 0.00 3.32 -1.80 -2.29 116.42 117.28 2c3m h ASP 190 Ca 0.35 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2c3m h ASP 190 Cb -0.10 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 2c3m h ASP 190 CO -0.07 1.11 0.37 0.24 -1.72 0.00 0.00 179.24 179.17 2c3m h MET 191 N 0.70 0.80 -0.14 3.56 2.86 -1.23 -2.45 114.93 119.04 2c3m h MET 191 Ca 0.09 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2c3m h MET 191 Cb 0.77 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2c3m h MET 191 CO 0.06 0.57 0.03 0.00 1.06 0.00 0.00 176.91 178.63 2c3m h ALA 192 N 1.19 1.79 0.00 6.32 0.00 -0.93 -2.20 119.26 125.44 2c3m h ALA 192 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2c3m h ALA 192 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2c3m h ALA 192 CO -0.04 0.16 0.00 0.66 0.00 0.00 0.00 179.25 180.03 2c3m h SER 193 N 0.19 0.00 0.63 0.00 4.64 -0.91 -2.94 113.55 115.16 2c3m h SER 193 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2c3m h SER 193 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2c3m h SER 193 CO -0.00 0.00 -0.63 0.18 -0.87 0.00 0.00 176.83 175.51 2c3m n LEU 194 N -2.81 0.59 -4.74 5.97 4.32 -0.83 -4.92 117.00 114.58 2c3m n LEU 194 Ca 0.02 0.09 -0.41 0.00 -0.02 0.00 0.00 56.01 55.68 2c3m n LEU 194 Cb 0.31 -0.20 -0.02 0.00 -1.62 0.00 0.00 43.42 41.89 2c3m n LEU 194 CO 0.26 0.04 1.10 -0.69 -1.22 0.00 0.00 177.39 176.88 2c3m s VAL 195 N -3.09 2.71 -0.81 4.08 1.01 -1.11 -4.93 120.40 118.25 2c3m s VAL 195 Ca 0.08 0.59 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 2c3m s VAL 195 Cb 0.15 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 33.20 2c3m s VAL 195 CO 0.72 0.09 1.29 0.21 0.00 0.00 0.00 175.10 177.41 2c3m s ASN 196 N 0.38 6.26 0.31 3.32 3.84 -1.26 -4.88 114.94 122.91 2c3m s ASN 196 Ca 0.59 -0.81 0.03 0.00 0.21 0.00 0.00 52.86 52.88 2c3m s ASN 196 Cb -0.41 -2.54 0.60 0.00 -0.55 0.00 0.00 41.25 38.34 2c3m s ASN 196 CO 0.42 -1.69 1.89 1.56 -2.79 0.00 0.00 177.10 176.49 2c3m h GLN 197 N 9.89 0.92 -0.56 0.43 1.08 -1.96 -1.16 115.11 123.75 2c3m h GLN 197 Ca -0.15 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 56.96 2c3m h GLN 197 Cb 1.04 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 2c3m h GLN 197 CO 1.30 0.61 0.20 -0.22 -0.95 0.00 0.00 178.83 179.77 2c3m h LYS 198 N 0.95 0.86 -0.50 1.46 3.64 -1.99 -0.45 116.57 120.54 2c3m h LYS 198 Ca 0.43 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 2c3m h LYS 198 Cb 0.37 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2c3m h LYS 198 CO -0.19 0.76 -0.01 0.00 -2.27 0.00 0.00 179.45 177.74 2c3m h ALA 199 N 1.06 0.67 -0.63 5.00 0.00 -1.77 -1.70 119.26 121.89 2c3m h ALA 199 Ca 0.18 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2c3m h ALA 199 Cb 0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2c3m h ALA 199 CO -0.01 0.49 0.41 1.25 0.00 0.00 0.00 179.25 181.39 2c3m h LEU 200 N 0.74 0.72 -0.87 0.00 5.85 -0.93 -0.16 115.31 120.67 2c3m h LEU 200 Ca 0.14 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 2c3m h LEU 200 Cb 0.53 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2c3m h LEU 200 CO 0.03 0.52 0.16 0.00 -0.34 0.00 0.00 178.44 178.81 2c3m h ALA 201 N 1.23 1.08 -0.60 1.25 0.00 -0.90 -2.05 119.26 119.26 2c3m h ALA 201 Ca 0.23 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2c3m h ALA 201 Cb -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2c3m h ALA 201 CO -0.05 0.61 0.07 0.93 0.00 0.00 0.00 179.25 180.82 2c3m h GLU 202 N 0.95 0.99 -0.14 0.00 5.08 -0.73 -1.55 114.58 119.18 2c3m h GLU 202 Ca 0.20 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2c3m h GLU 202 Cb 0.33 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2c3m h GLU 202 CO -0.00 0.92 -0.00 0.35 -1.00 0.00 0.00 179.01 179.28 2c3m h PHE 203 N 0.92 -0.01 -0.73 4.33 3.57 -0.46 -1.43 116.94 123.14 2c3m h PHE 203 Ca 0.18 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2c3m h PHE 203 Cb 0.44 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2c3m h PHE 203 CO 0.03 -0.02 0.37 0.00 -2.23 0.00 0.00 178.31 176.46 2c3m h ARG 204 N 0.04 1.03 0.00 1.11 -0.00 -1.17 -2.92 114.38 112.47 2c3m h ARG 204 Ca 0.07 -0.14 -0.08 0.00 -0.50 0.00 0.00 59.98 59.32 2c3m h ARG 204 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 29.84 2c3m h ARG 204 CO -0.11 0.80 -0.39 0.00 0.00 0.00 0.00 179.97 180.26 2c3m h ALA 205 N 1.18 1.34 -0.00 0.04 0.00 -0.92 -2.88 119.26 118.01 2c3m h ALA 205 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2c3m h ALA 205 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2c3m h ALA 205 CO -0.04 0.49 -0.29 0.36 0.00 0.00 0.00 179.25 179.78 2c3m n LYS 206 N -4.06 0.55 -1.35 0.00 2.85 -0.57 -4.95 118.16 110.63 2c3m n LYS 206 Ca -0.02 -0.30 -0.30 0.00 -1.05 0.00 0.00 58.31 56.65 2c3m n LYS 206 Cb 0.43 -1.49 0.11 0.00 -0.65 0.00 0.00 35.03 33.42 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 -2.66 4.07 0.18 -5.58 0.01 -1.09 -4.97 113.70 103.66 2c3m s SER 207 Ca 0.21 1.48 -0.32 0.00 1.31 0.00 0.00 55.95 58.63 2c3m s SER 207 Cb 0.19 -2.19 -0.11 0.00 0.21 0.00 0.00 66.02 64.11 2c3m s SER 207 CO 0.56 -2.26 1.68 -0.04 0.41 0.00 0.00 173.24 173.59 2c3m s MET 208 N -5.01 4.16 -0.29 12.44 -1.94 0.20 -4.94 119.30 123.92 2c3m s MET 208 Ca 0.62 2.51 -0.15 0.00 -1.71 0.00 0.00 55.69 56.96 2c3m s MET 208 Cb -0.16 -3.17 0.14 0.00 2.01 0.00 0.00 34.83 33.65 2c3m s MET 208 CO 0.56 -0.71 0.94 1.21 -0.01 0.00 0.00 175.02 177.00 2c3m s ASN 209 N 1.36 -0.60 0.29 3.03 3.84 -1.26 -4.74 114.94 116.86 2c3m s ASN 209 Ca 0.74 0.91 0.19 0.00 0.21 0.00 0.00 52.86 54.91 2c3m s ASN 209 Cb -0.47 1.42 1.05 0.00 -0.55 0.00 0.00 41.25 42.69 2c3m s ASN 209 CO 0.32 -0.14 1.59 -0.81 -2.79 0.00 0.00 177.10 175.28 2c3m n PRO 210 N 4.22 0.13 0.00 0.43 -0.04 -1.26 -1.46 135.00 137.01 2c3m n PRO 210 Ca -0.16 0.62 0.13 0.00 -0.04 0.00 0.00 63.50 64.06 2c3m n PRO 210 Cb 0.56 -1.91 0.48 0.00 -0.04 0.00 0.00 33.50 32.59 2c3m n PRO 210 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2c3m n GLU 211 N -2.18 0.09 -2.76 0.54 1.02 -1.26 -4.18 120.64 111.91 2c3m n GLU 211 Ca -0.01 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.01 2c3m n GLU 211 Cb 0.03 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.02 2c3m n GLU 211 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2c3m n HIS 212 N -1.43 -2.88 -1.32 -0.32 1.44 -0.63 -5.16 115.22 104.93 2c3m n HIS 212 Ca 0.07 -2.10 -0.31 0.00 -2.01 0.00 0.00 57.72 53.37 2c3m n HIS 212 Cb 0.33 1.51 0.09 0.00 0.12 0.00 0.00 29.99 32.03 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 0.28 2.30 0.27 -1.40 0.04 -0.53 -4.54 135.00 131.42 2c3m s PRO 213 Ca 0.26 1.22 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 2c3m s PRO 213 Cb 0.27 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.91 2c3m s PRO 213 CO -0.12 -1.62 0.45 -3.38 0.04 0.00 0.00 177.00 172.38 2c3m s HIS 214 N -2.80 0.61 -0.13 0.56 -3.43 -1.26 -5.04 115.29 103.80 2c3m s HIS 214 Ca 0.62 -0.93 -0.01 0.00 -0.80 0.00 0.00 55.06 53.94 2c3m s HIS 214 Cb -0.18 0.07 -0.02 0.00 -1.43 0.00 0.00 32.58 31.02 2c3m s HIS 214 CO 0.54 -1.01 -0.11 0.08 -2.00 0.00 0.00 174.74 172.24 2c3m s VAL 215 N -3.75 3.29 0.11 -5.38 1.01 -1.26 -5.02 120.40 109.40 2c3m s VAL 215 Ca 0.26 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.72 2c3m s VAL 215 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2c3m s VAL 215 CO 0.12 0.52 -0.17 0.00 0.00 0.00 0.00 175.10 175.58 2c3m s ARG 216 N 0.24 1.04 -0.21 2.72 1.70 -1.26 -4.83 118.95 118.35 2c3m s ARG 216 Ca -0.07 -1.18 -0.01 0.00 -0.47 0.00 0.00 55.73 54.01 2c3m s ARG 216 Cb -0.15 -1.08 0.00 0.00 -0.57 0.00 0.00 34.95 33.15 2c3m s ARG 216 CO 0.05 0.23 0.18 0.41 -1.08 0.00 0.00 175.30 175.08 2c3m n GLY 217 N 0.82 0.47 3.85 3.88 0.00 -1.26 -5.05 105.19 107.91 2c3m n GLY 217 Ca -0.18 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.06 2.34 -0.17 2.61 -4.23 -1.26 -5.05 115.64 106.82 2c3m s THR 218 Ca 0.04 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 60.61 2c3m s THR 218 Cb -0.02 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 2c3m s THR 218 CO 0.12 -0.14 -0.00 0.00 -0.54 0.00 0.00 174.62 174.05 2c3m s ALA 219 N -3.40 3.13 0.04 3.99 0.00 -1.26 -5.11 121.76 119.16 2c3m s ALA 219 Ca 0.62 -0.83 0.09 0.00 0.00 0.00 0.00 51.96 51.84 2c3m s ALA 219 Cb -0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 2c3m s ALA 219 CO 0.51 0.13 -0.25 -0.65 0.00 0.00 0.00 175.76 175.51 2c3m s GLN 220 N 0.48 1.70 0.71 0.00 -0.21 -1.26 -5.14 119.66 115.94 2c3m s GLN 220 Ca -0.01 -1.07 -0.05 0.00 0.02 0.00 0.00 55.36 54.25 2c3m s GLN 220 Cb -0.14 -1.86 0.09 0.00 1.00 0.00 0.00 33.01 32.10 2c3m s GLN 220 CO 0.02 0.48 1.00 -0.80 -2.12 0.00 0.00 175.29 173.87 2c3m s ASN 221 N -1.22 4.61 0.56 5.90 0.01 -1.26 -4.80 114.94 118.74 2c3m s ASN 221 Ca 0.11 0.17 0.27 0.00 -0.71 0.00 0.00 52.86 52.69 2c3m s ASN 221 Cb -0.10 -0.73 1.50 0.00 0.41 0.00 0.00 41.25 42.33 2c3m s ASN 221 CO 0.02 -1.70 2.03 -0.65 -1.51 0.00 0.00 177.10 175.29 2c3m h PRO 222 N -0.57 0.00 -0.56 -0.60 0.11 -2.01 -2.34 132.00 126.03 2c3m h PRO 222 Ca -0.42 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.70 2c3m h PRO 222 Cb 1.29 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 2c3m h PRO 222 CO 0.52 0.00 0.37 0.38 -0.21 0.00 0.00 178.00 179.06 2c3m h ASP 223 N 0.00 0.62 0.00 -2.05 3.04 -2.05 -3.36 116.42 112.62 2c3m h ASP 223 Ca 0.17 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.94 2c3m h ASP 223 Cb 0.79 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.93 2c3m h ASP 223 CO -0.00 0.45 0.00 2.30 -2.04 0.00 0.00 179.24 179.95 2c3m n ILE 224 N -4.46 0.00 0.08 4.15 -5.35 -0.99 -4.88 119.36 107.91 2c3m n ILE 224 Ca 0.06 -0.31 -0.12 0.00 -0.27 0.00 0.00 62.75 62.11 2c3m n ILE 224 Cb 0.07 1.02 -0.05 0.00 -1.74 0.00 0.00 39.64 38.93 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 -0.56 -0.45 4.28 3.20 -1.59 -1.76 116.97 120.10 2c3m h TYR 225 Ca 0.00 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.97 2c3m h TYR 225 Cb 0.01 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.45 2c3m h TYR 225 CO 0.00 -0.30 0.01 0.35 -1.64 0.00 0.00 178.16 176.58 2c3m h PHE 226 N -0.36 0.00 -0.85 -3.82 -0.00 -1.86 -0.55 116.94 109.50 2c3m h PHE 226 Ca 0.05 0.03 0.02 0.00 -0.00 0.00 0.00 57.97 58.06 2c3m h PHE 226 Cb 0.42 0.07 -0.04 0.00 -0.00 0.00 0.00 35.95 36.39 2c3m h PHE 226 CO -0.23 -0.08 0.56 1.96 -0.00 0.00 0.00 178.31 180.51 2c3m h GLN 227 N 0.13 1.09 -0.30 1.11 7.50 -1.85 -2.05 115.11 120.74 2c3m h GLN 227 Ca 0.22 -0.07 -0.05 0.00 0.50 0.00 0.00 58.65 59.26 2c3m h GLN 227 Cb 0.32 -0.25 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 2c3m h GLN 227 CO -0.36 0.72 -0.03 0.78 -1.50 0.00 0.00 178.83 178.44 2c3m h GLY 228 N 1.12 0.50 1.84 3.46 0.00 -0.31 -2.25 103.07 107.43 2c3m h GLY 228 Ca 0.32 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 2c3m h GLY 228 CO -0.08 0.28 -0.57 -0.09 0.00 0.00 0.00 176.54 176.08 2c3m h ARG 229 N 0.45 0.17 0.00 4.80 9.65 -0.48 -3.12 114.38 125.84 2c3m h ARG 229 Ca 0.09 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2c3m h ARG 229 Cb 0.35 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 2c3m h ARG 229 CO 0.01 0.69 -0.42 0.93 2.80 0.00 0.00 179.97 183.99 2c3m h GLU 230 N 0.13 0.00 0.00 0.20 4.39 -1.07 -3.36 114.58 114.87 2c3m h GLU 230 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2c3m h GLU 230 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2c3m h GLU 230 CO 0.08 0.00 0.06 0.00 -1.16 0.00 0.00 179.01 178.00 2c3m h ALA 231 N 2.45 1.06 -0.01 3.43 0.00 -1.35 -1.47 119.26 123.37 2c3m h ALA 231 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c3m h ALA 231 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2c3m h ALA 231 CO 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 179.25 179.08 2c3m n ALA 232 N -2.03 2.79 -0.27 0.00 0.00 -1.26 -4.45 120.51 115.30 2c3m n ALA 232 Ca -0.03 -0.40 0.03 0.00 0.00 0.00 0.00 53.44 53.04 2c3m n ALA 232 Cb 0.13 -1.19 0.11 0.00 0.00 0.00 0.00 19.45 18.50 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 1.59 -0.65 -0.92 0.00 2.35 -1.54 -1.08 115.58 115.33 2c3m h ASN 233 Ca 0.00 0.23 0.14 0.00 -0.55 0.00 0.00 56.30 56.11 2c3m h ASN 233 Cb 0.46 0.46 -0.07 0.00 0.05 0.00 0.00 38.32 39.21 2c3m h ASN 233 CO 0.00 -0.25 0.59 -0.65 -1.65 0.00 0.00 177.43 175.47 2c3m h PRO 234 N 0.02 0.75 -0.49 0.81 0.11 -1.84 -1.48 132.00 129.87 2c3m h PRO 234 Ca 0.38 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.35 2c3m h PRO 234 Cb 0.61 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 2c3m h PRO 234 CO -0.78 0.49 -0.09 1.88 -0.21 0.00 0.00 178.00 179.30 2c3m h TYR 235 N 0.77 0.98 -0.03 0.65 0.05 -1.52 -2.86 116.97 115.01 2c3m h TYR 235 Ca 0.46 -0.18 -0.16 0.00 0.05 0.00 0.00 58.73 58.89 2c3m h TYR 235 Cb 0.66 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 2c3m h TYR 235 CO -0.00 0.93 -0.72 1.88 -1.05 0.00 0.00 178.16 179.20 2c3m h TYR 236 N 0.81 0.23 0.00 4.88 -1.99 -1.17 -2.82 116.97 116.90 2c3m h TYR 236 Ca 0.14 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 2c3m h TYR 236 Cb 0.60 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 2c3m h TYR 236 CO 0.04 0.83 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.75 2c3m h LEU 237 N 0.11 0.00 0.00 3.88 3.38 -1.19 -3.15 115.31 118.34 2c3m h LEU 237 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2c3m h LEU 237 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2c3m h LEU 237 CO 0.11 0.20 -1.27 0.29 0.09 0.00 0.00 178.44 177.86 2c3m n LYS 238 N -3.73 0.62 -0.08 1.13 5.02 -1.09 -4.41 118.16 115.61 2c3m n LYS 238 Ca -0.01 0.08 0.04 0.00 -2.02 0.00 0.00 58.31 56.40 2c3m n LYS 238 Cb 0.32 -1.76 0.38 0.00 -0.02 0.00 0.00 35.03 33.94 2c3m n LYS 238 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2c3m h VAL 239 N 0.00 1.09 -0.47 -0.18 -1.51 -1.45 -2.15 116.25 111.58 2c3m h VAL 239 Ca -0.04 -0.23 -0.00 0.00 -1.23 0.00 0.00 66.70 65.20 2c3m h VAL 239 Cb 1.12 0.36 -0.02 0.00 -2.13 0.00 0.00 31.29 30.61 2c3m h VAL 239 CO 0.01 0.12 0.29 -0.65 -1.23 0.00 0.00 177.57 176.11 2c3m h PRO 240 N 0.67 0.63 -0.32 5.19 0.11 -1.77 0.62 132.00 137.13 2c3m h PRO 240 Ca 0.22 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 2c3m h PRO 240 Cb 0.04 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 2c3m h PRO 240 CO -0.05 0.46 -0.10 0.78 -0.21 0.00 0.00 178.00 178.87 2c3m h GLY 241 N 0.62 0.58 0.92 -0.55 0.00 -1.75 -0.89 103.07 102.00 2c3m h GLY 241 Ca 0.17 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 2c3m h GLY 241 CO -0.03 0.37 -0.03 -2.22 0.00 0.00 0.00 176.54 174.62 2c3m h ILE 242 N 0.50 1.27 -0.45 2.60 2.04 -0.83 -0.85 117.51 121.78 2c3m h ILE 242 Ca 0.09 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 2c3m h ILE 242 Cb 0.48 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 2c3m h ILE 242 CO 0.03 0.34 0.22 0.58 0.00 0.00 0.00 178.15 179.32 2c3m h VAL 243 N 0.42 1.18 -0.72 1.67 2.07 -0.57 -1.16 116.25 119.14 2c3m h VAL 243 Ca 0.09 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2c3m h VAL 243 Cb 0.51 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2c3m h VAL 243 CO 0.02 0.20 0.41 0.00 0.02 0.00 0.00 177.57 178.22 2c3m h ALA 244 N 1.06 0.92 -0.72 1.67 0.00 -1.06 -1.03 119.26 120.10 2c3m h ALA 244 Ca 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2c3m h ALA 244 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2c3m h ALA 244 CO -0.02 0.41 0.28 1.49 0.00 0.00 0.00 179.25 181.42 2c3m h GLU 245 N 0.99 1.08 0.00 0.00 4.57 -0.81 -2.37 114.58 118.04 2c3m h GLU 245 Ca 0.26 -0.20 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 2c3m h GLU 245 Cb 0.00 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 2c3m h GLU 245 CO -0.04 0.89 -0.49 1.88 -1.18 0.00 0.00 179.01 180.07 2c3m h TYR 246 N 1.04 0.00 -0.59 0.92 -1.99 -0.89 -0.28 116.97 115.17 2c3m h TYR 246 Ca 0.24 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.90 2c3m h TYR 246 Cb 0.22 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.92 2c3m h TYR 246 CO 0.02 0.49 0.10 0.52 -0.00 0.00 0.00 178.16 179.28 2c3m h MET 247 N 0.00 0.95 -0.31 4.88 2.86 -0.84 -0.08 114.93 122.39 2c3m h MET 247 Ca -0.00 -0.23 -0.18 0.00 -2.06 0.00 0.00 59.70 57.22 2c3m h MET 247 Cb 0.99 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 2c3m h MET 247 CO 0.06 0.88 -0.51 1.96 1.06 0.00 0.00 176.91 180.37 2c3m h GLN 248 N 0.90 0.90 -0.52 1.72 4.20 -1.01 -0.95 115.11 120.36 2c3m h GLN 248 Ca 0.19 -0.55 -0.08 0.00 0.06 0.00 0.00 58.65 58.27 2c3m h GLN 248 Cb 0.39 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2c3m h GLN 248 CO 0.01 1.19 0.01 0.87 -0.67 0.00 0.00 178.83 180.23 2c3m h LYS 249 N 0.70 0.91 -0.33 1.46 1.57 -0.75 -1.14 116.57 118.99 2c3m h LYS 249 Ca 0.03 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 2c3m h LYS 249 Cb 1.12 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2c3m h LYS 249 CO 0.12 0.93 -0.24 0.28 -0.57 0.00 0.00 179.45 179.96 2c3m h VAL 250 N 0.78 1.27 -0.34 0.50 2.07 -1.01 -2.64 116.25 116.88 2c3m h VAL 250 Ca 0.15 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 2c3m h VAL 250 Cb 0.51 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2c3m h VAL 250 CO 0.02 0.43 0.02 0.00 0.02 0.00 0.00 177.57 178.06 2c3m h ALA 251 N 1.17 1.39 0.00 1.67 0.00 -0.80 0.20 119.26 122.89 2c3m h ALA 251 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2c3m h ALA 251 Cb 0.72 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2c3m h ALA 251 CO 0.05 0.43 0.00 0.66 0.00 0.00 0.00 179.25 180.39 2c3m h SER 252 N 0.51 0.00 0.00 0.00 4.64 -0.83 0.40 113.55 118.26 2c3m h SER 252 Ca 0.11 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.07 2c3m h SER 252 Cb 0.30 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.32 2c3m h SER 252 CO 0.01 0.00 -2.38 0.18 -0.87 0.00 0.00 176.83 173.77 2c3m n LEU 253 N -2.90 0.79 -0.08 5.97 4.77 -0.44 -4.70 117.00 120.42 2c3m n LEU 253 Ca -0.01 -0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.87 2c3m n LEU 253 Cb 0.16 0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 2c3m n LEU 253 CO 0.21 0.60 -1.03 0.35 -1.33 0.00 0.00 177.39 176.19 2c3m n THR 254 N -2.87 1.06 -0.53 -5.08 -2.24 -0.07 -4.98 114.28 99.57 2c3m n THR 254 Ca -0.36 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 2c3m n THR 254 Cb 1.10 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.83 0.76 3.33 3.38 0.00 0.14 -5.02 105.19 109.61 2c3m n GLY 255 Ca -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.47 2.76 0.12 1.61 0.52 -1.26 -5.06 118.95 117.18 2c3m s ARG 256 Ca 0.00 -1.11 -0.08 0.00 -0.52 0.00 0.00 55.73 54.02 2c3m s ARG 256 Cb 0.00 -3.61 -0.06 0.00 0.52 0.00 0.00 34.95 31.80 2c3m s ARG 256 CO 0.00 -0.67 0.41 -1.12 0.02 0.00 0.00 175.30 173.94 2c3m s SER 257 N 1.49 6.58 0.06 0.23 0.01 -1.26 -4.23 113.70 116.58 2c3m s SER 257 Ca 0.01 0.73 -0.05 0.00 1.31 0.00 0.00 55.95 57.95 2c3m s SER 257 Cb -0.19 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 2c3m s SER 257 CO 0.05 0.09 0.08 -0.31 0.41 0.00 0.00 173.24 173.56 2c3m s TYR 258 N -1.55 0.30 0.29 2.43 1.51 -1.26 -5.12 117.35 113.94 2c3m s TYR 258 Ca 0.38 -0.73 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 2c3m s TYR 258 Cb -0.13 -0.20 -0.06 0.00 -0.11 0.00 0.00 41.96 41.46 2c3m s TYR 258 CO 0.21 -0.43 0.08 0.15 -1.11 0.00 0.00 175.55 174.45 2c3m s LYS 259 N -3.47 1.51 0.41 -0.62 1.02 -1.26 -4.72 119.74 112.61 2c3m s LYS 259 Ca 0.02 -1.82 0.08 0.00 0.02 0.00 0.00 55.97 54.27 2c3m s LYS 259 Cb 0.04 -0.53 0.87 0.00 -0.52 0.00 0.00 37.83 37.69 2c3m s LYS 259 CO -0.09 -0.24 2.03 -0.07 -0.92 0.00 0.00 175.35 176.07 2c3m h LEU 260 N 2.27 0.48 -7.62 3.17 3.38 -1.94 -3.40 115.31 111.66 2c3m h LEU 260 Ca -0.39 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.23 2c3m h LEU 260 Cb 1.24 -0.11 -0.34 0.00 0.09 0.00 0.00 40.66 41.54 2c3m h LEU 260 CO 0.65 0.34 -0.75 -0.36 0.09 0.00 0.00 178.44 178.41 2c3m s PHE 261 N -5.51 0.31 -0.03 1.13 0.08 -1.26 -0.96 117.98 111.73 2c3m s PHE 261 Ca -0.08 -0.00 0.06 0.00 0.12 0.00 0.00 56.93 57.03 2c3m s PHE 261 Cb 0.18 -0.39 -0.01 0.00 -0.57 0.00 0.00 43.02 42.23 2c3m s PHE 261 CO 0.74 -0.12 -0.23 -0.51 -0.10 0.00 0.00 175.22 175.00 2c3m s ASP 262 N 0.95 2.74 -0.08 1.36 -0.00 -0.51 -4.79 116.67 116.35 2c3m s ASP 262 Ca -0.10 -0.44 0.00 0.00 -0.00 0.00 0.00 52.55 52.02 2c3m s ASP 262 Cb -0.13 -0.53 -0.03 0.00 -0.00 0.00 0.00 42.92 42.23 2c3m s ASP 262 CO -0.02 0.25 -0.06 -0.47 -0.00 0.00 0.00 175.17 174.88 2c3m s TYR 263 N -0.33 2.97 0.01 4.23 6.14 -1.26 0.39 117.35 129.51 2c3m s TYR 263 Ca 0.03 0.02 0.01 0.00 0.64 0.00 0.00 57.07 57.77 2c3m s TYR 263 Cb -0.11 -1.73 -0.01 0.00 0.42 0.00 0.00 41.96 40.52 2c3m s TYR 263 CO 0.01 0.33 -0.04 0.14 0.64 0.00 0.00 175.55 176.63 2c3m s VAL 264 N -0.75 0.28 -0.51 3.14 -7.23 -0.51 -5.00 120.40 109.82 2c3m s VAL 264 Ca 0.11 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 2c3m s VAL 264 Cb -0.11 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.51 2c3m s VAL 264 CO 0.02 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 2c3m n GLY 265 N 2.30 0.34 3.71 2.32 0.00 -1.26 -0.45 105.19 112.14 2c3m n GLY 265 Ca -0.18 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.16 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 -1.90 3.88 0.46 4.61 0.00 -0.13 -4.87 121.76 123.82 2c3m s ALA 266 Ca 0.00 1.53 0.33 0.00 0.00 0.00 0.00 51.96 53.82 2c3m s ALA 266 Cb 0.00 -3.71 1.75 0.00 0.00 0.00 0.00 23.12 21.16 2c3m s ALA 266 CO 0.00 -0.99 2.17 -1.35 0.00 0.00 0.00 175.76 175.59 2c3m h PRO 267 N 7.29 0.00 -0.60 0.00 0.11 -1.96 -1.62 132.00 135.21 2c3m h PRO 267 Ca -0.44 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.32 2c3m h PRO 267 Cb 1.21 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.11 2c3m h PRO 267 CO 0.95 0.05 0.06 -0.40 -0.21 0.00 0.00 178.00 178.45 2c3m n ASP 268 N -3.46 3.69 -4.76 -2.05 5.75 -1.26 -4.80 116.55 109.65 2c3m n ASP 268 Ca -0.02 -3.76 -0.41 0.00 -0.01 0.00 0.00 54.79 50.58 2c3m n ASP 268 Cb 0.18 -0.68 -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 s ALA 269 N -3.39 3.65 -0.07 2.12 0.00 -0.61 -4.88 121.76 118.58 2c3m s ALA 269 Ca 0.50 1.55 0.19 0.00 0.00 0.00 0.00 51.96 54.20 2c3m s ALA 269 Cb 0.43 -3.62 -0.28 0.00 0.00 0.00 0.00 23.12 19.66 2c3m s ALA 269 CO 0.02 -0.99 0.33 0.39 0.00 0.00 0.00 175.76 175.50 2c3m n GLU 270 N 1.31 0.71 -4.04 0.00 1.02 -0.42 -2.08 120.64 117.14 2c3m n GLU 270 Ca 0.04 -0.13 -0.31 0.00 -0.02 0.00 0.00 57.16 56.74 2c3m n GLU 270 Cb 0.39 -1.46 -0.16 0.00 -0.02 0.00 0.00 31.44 30.18 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 -3.10 2.41 0.01 3.49 0.52 -1.14 0.77 118.95 121.91 2c3m s ARG 271 Ca -0.08 -0.68 0.06 0.00 -0.52 0.00 0.00 55.73 54.52 2c3m s ARG 271 Cb 0.11 -2.27 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 2c3m s ARG 271 CO 0.79 -0.27 -0.19 0.08 0.02 0.00 0.00 175.30 175.73 2c3m s VAL 272 N 1.42 1.50 -0.06 3.52 1.01 -0.25 -2.03 120.40 125.52 2c3m s VAL 272 Ca 0.04 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 2c3m s VAL 272 Cb -0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 2c3m s VAL 272 CO -0.11 0.29 -0.01 -0.63 0.00 0.00 0.00 175.10 174.64 2c3m s ILE 273 N -0.62 4.13 -0.19 2.22 1.01 -0.83 -1.16 121.20 125.76 2c3m s ILE 273 Ca 0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 2c3m s ILE 273 Cb -0.08 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.64 2c3m s ILE 273 CO 0.00 0.54 -0.12 -0.69 0.00 0.00 0.00 174.94 174.67 2c3m s VAL 274 N -0.93 2.79 0.26 2.92 1.01 -0.17 -0.34 120.40 125.94 2c3m s VAL 274 Ca 0.15 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 2c3m s VAL 274 Cb -0.11 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2c3m s VAL 274 CO 0.04 0.49 0.34 -0.55 0.00 0.00 0.00 175.10 175.42 2c3m s SER 275 N 1.19 0.32 -0.07 3.32 0.15 -0.84 -0.87 113.70 116.89 2c3m s SER 275 Ca 0.02 -1.26 -0.06 0.00 0.70 0.00 0.00 55.95 55.34 2c3m s SER 275 Cb -0.14 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 2c3m s SER 275 CO -0.05 -1.06 0.19 -0.32 1.20 0.00 0.00 173.24 173.20 2c3m s MET 276 N -3.83 0.22 0.34 5.44 1.75 -1.26 -1.58 119.30 120.38 2c3m s MET 276 Ca 0.31 0.28 0.00 0.00 -1.25 0.00 0.00 55.69 55.03 2c3m s MET 276 Cb 0.02 0.09 0.00 0.00 2.84 0.00 0.00 34.83 37.78 2c3m s MET 276 CO 0.14 -0.04 0.00 0.41 -0.65 0.00 0.00 175.02 174.88 2c3m n GLY 277 N 3.09 -1.79 0.39 2.11 0.00 -1.26 -4.46 105.19 103.27 2c3m n GLY 277 Ca -0.14 -1.87 0.21 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.30 1.61 4.64 -1.77 -1.11 113.55 116.62 2c3m h SER 278 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2c3m h SER 278 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2c3m h SER 278 CO 0.00 0.00 0.21 0.77 -0.87 0.00 0.00 176.83 176.94 2c3m h SER 279 N 0.00 0.12 -0.62 4.97 4.64 -1.86 -2.02 113.55 118.78 2c3m h SER 279 Ca 0.22 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.59 2c3m h SER 279 Cb 1.10 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 2c3m h SER 279 CO -0.00 0.08 0.41 0.00 -0.87 0.00 0.00 176.83 176.45 2c3m h GLU 281 N 0.67 0.33 -0.54 0.00 4.39 -1.55 -0.87 114.58 117.01 2c3m h GLU 281 Ca 0.26 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 2c3m h GLU 281 Cb 0.19 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2c3m h GLU 281 CO -0.08 0.53 -0.00 1.15 -1.16 0.00 0.00 179.01 179.45 2c3m h THR 282 N 0.10 1.26 -0.23 1.13 2.02 -1.34 -1.75 112.91 114.11 2c3m h THR 282 Ca 0.06 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2c3m h THR 282 Cb 0.37 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2c3m h THR 282 CO 0.01 0.39 0.15 0.40 0.37 0.00 0.00 175.52 176.84 2c3m h ILE 283 N 0.82 1.06 -0.62 3.11 2.04 -1.00 -1.61 117.51 121.32 2c3m h ILE 283 Ca 0.15 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2c3m h ILE 283 Cb 0.53 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2c3m h ILE 283 CO 0.03 0.06 0.35 -0.08 0.00 0.00 0.00 178.15 178.51 2c3m h GLU 284 N 0.30 0.85 -0.78 2.37 4.81 -0.99 -0.28 114.58 120.87 2c3m h GLU 284 Ca 0.08 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2c3m h GLU 284 Cb -0.03 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 2c3m h GLU 284 CO -0.02 0.61 0.39 1.49 -0.73 0.00 0.00 179.01 180.75 2c3m h GLU 285 N 0.86 1.11 -0.38 1.92 4.81 -0.76 -1.59 114.58 120.55 2c3m h GLU 285 Ca 0.22 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 2c3m h GLU 285 Cb -0.00 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 2c3m h GLU 285 CO -0.04 0.85 -0.17 0.28 -0.73 0.00 0.00 179.01 179.20 2c3m h VAL 286 N 1.09 1.28 -0.73 0.32 2.07 -0.60 -2.96 116.25 116.72 2c3m h VAL 286 Ca 0.27 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.53 2c3m h VAL 286 Cb 0.10 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2c3m h VAL 286 CO -0.04 0.43 0.46 0.40 0.02 0.00 0.00 177.57 178.84 2c3m h ILE 287 N 0.59 1.09 -0.44 4.57 2.04 -0.77 0.96 117.51 125.55 2c3m h ILE 287 Ca 0.09 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2c3m h ILE 287 Cb 0.72 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2c3m h ILE 287 CO 0.05 0.16 0.24 0.78 0.00 0.00 0.00 178.15 179.38 2c3m h ASN 288 N 0.88 0.54 -0.00 1.72 2.35 -1.21 0.30 115.58 120.16 2c3m h ASN 288 Ca 0.30 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 2c3m h ASN 288 Cb 0.04 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2c3m h ASN 288 CO -0.12 0.44 -0.17 -0.74 -1.65 0.00 0.00 177.43 175.20 2c3m h HIS 289 N 0.61 0.18 0.01 1.19 2.76 -1.17 -3.21 115.15 115.52 2c3m h HIS 289 Ca 0.16 -0.09 -0.24 0.00 -2.20 0.00 0.00 60.37 57.99 2c3m h HIS 289 Cb 0.03 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 28.98 2c3m h HIS 289 CO 0.00 0.88 -1.00 -0.07 -1.30 0.00 0.00 177.93 176.44 2c3m h LEU 290 N -0.58 0.66 -1.60 0.26 3.38 -0.68 -3.19 115.31 113.56 2c3m h LEU 290 Ca -0.02 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 2c3m h LEU 290 Cb 0.92 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2c3m h LEU 290 CO 0.03 1.34 0.04 0.00 0.09 0.00 0.00 178.44 179.95 2c3m h ALA 291 N 0.61 1.69 0.00 1.53 0.00 -0.56 0.09 119.26 122.62 2c3m h ALA 291 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2c3m h ALA 291 Cb 1.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2c3m h ALA 291 CO 0.18 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2c3m h ALA 292 N 1.76 1.00 -0.70 0.00 0.00 -1.55 -0.59 119.26 119.18 2c3m h ALA 292 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2c3m h ALA 292 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2c3m h ALA 292 CO -0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2c3m n LYS 293 N -2.66 2.70 -0.01 0.00 5.02 -0.01 -4.94 118.16 118.26 2c3m n LYS 293 Ca -0.00 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.66 2c3m n LYS 293 Cb 0.18 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.66 0.18 3.72 0.72 0.00 -0.23 -5.06 105.19 106.18 2c3m n GLY 294 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.97 4.25 -1.28 1.61 2.02 -1.03 -4.91 118.70 118.40 2c3m s GLU 295 Ca 0.00 2.27 -0.12 0.00 0.02 0.00 0.00 54.97 57.14 2c3m s GLU 295 Cb 0.00 -3.19 0.15 0.00 0.10 0.00 0.00 34.13 31.18 2c3m s GLU 295 CO 0.00 -0.56 1.74 1.63 0.02 0.00 0.00 175.26 178.09 2c3m n LYS 296 N 4.00 3.40 -4.35 1.61 4.76 -1.26 -4.24 118.16 122.08 2c3m n LYS 296 Ca 0.13 -3.52 -0.20 0.00 -2.87 0.00 0.00 58.31 51.85 2c3m n LYS 296 Cb 0.40 -3.07 -0.10 0.00 -1.84 0.00 0.00 35.03 30.41 2c3m n LYS 296 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2c3m s ILE 297 N 1.53 1.82 0.37 -0.18 -4.36 -1.26 -1.30 121.20 117.82 2c3m s ILE 297 Ca 0.43 -2.11 -0.10 0.00 -0.26 0.00 0.00 60.65 58.61 2c3m s ILE 297 Cb 0.05 -1.98 0.03 0.00 1.25 0.00 0.00 42.46 41.81 2c3m s ILE 297 CO 0.00 -0.47 0.65 -0.83 0.24 0.00 0.00 174.94 174.53 2c3m s GLY 298 N -3.07 0.86 -0.10 6.27 0.00 -0.86 -0.96 107.32 109.45 2c3m s GLY 298 Ca 0.20 -1.08 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 2c3m s GLY 298 CO 0.07 -0.61 0.25 -2.27 0.00 0.00 0.00 173.10 170.54 2c3m s LEU 299 N -3.14 0.89 -0.25 0.66 2.96 0.40 -1.97 118.68 118.22 2c3m s LEU 299 Ca 0.22 0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 54.57 2c3m s LEU 299 Cb -0.03 0.82 -0.01 0.00 0.50 0.00 0.00 46.19 47.46 2c3m s LEU 299 CO 0.15 -0.11 0.03 -0.63 -1.32 0.00 0.00 176.35 174.48 2c3m s ILE 300 N 0.43 3.86 -0.16 6.68 1.01 0.54 -1.42 121.20 132.13 2c3m s ILE 300 Ca -0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 2c3m s ILE 300 Cb -0.04 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 2c3m s ILE 300 CO -0.02 0.30 0.46 -0.54 0.00 0.00 0.00 174.94 175.14 2c3m s LYS 301 N 1.53 4.26 -0.26 2.79 1.02 0.16 -1.98 119.74 127.26 2c3m s LYS 301 Ca 0.05 0.37 -0.19 0.00 0.02 0.00 0.00 55.97 56.22 2c3m s LYS 301 Cb -0.15 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 2c3m s LYS 301 CO 0.01 0.04 0.55 0.08 -0.92 0.00 0.00 175.35 175.10 2c3m s VAL 302 N 1.04 5.05 -0.15 3.17 1.01 -0.61 -1.42 120.40 128.48 2c3m s VAL 302 Ca 0.23 0.95 -0.15 0.00 0.00 0.00 0.00 61.98 63.02 2c3m s VAL 302 Cb -0.15 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2c3m s VAL 302 CO 0.09 0.07 -0.29 0.54 0.00 0.00 0.00 175.10 175.51 2c3m n ARG 303 N 5.55 0.45 -3.11 2.72 3.00 -0.14 -4.61 116.66 120.53 2c3m n ARG 303 Ca -0.03 0.19 -0.44 0.00 -0.01 0.00 0.00 57.85 57.56 2c3m n ARG 303 Cb 0.50 -1.29 -0.05 0.00 0.00 0.00 0.00 32.46 31.61 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 -7.47 5.02 0.06 0.55 2.96 -0.85 -0.59 118.68 118.36 2c3m s LEU 304 Ca -0.24 -1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 52.59 2c3m s LEU 304 Cb 0.03 -2.42 -0.28 0.00 0.50 0.00 0.00 46.19 44.02 2c3m s LEU 304 CO 0.36 -1.01 1.07 0.22 -1.32 0.00 0.00 176.35 175.67 2c3m h TYR 305 N 9.10 0.46 -3.32 5.38 3.20 -1.28 -3.44 116.97 127.07 2c3m h TYR 305 Ca -0.28 -0.33 -0.29 0.00 3.14 0.00 0.00 58.73 60.97 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 0.80 1.29 -0.66 1.03 -1.64 0.00 0.00 178.16 178.97 2c3m s ARG 306 N -2.65 0.02 0.64 1.82 1.81 -1.11 -3.39 118.95 116.10 2c3m s ARG 306 Ca -0.05 0.35 -0.16 0.00 -1.72 0.00 0.00 55.73 54.14 2c3m s ARG 306 Cb 0.07 -0.26 -0.01 0.00 -0.45 0.00 0.00 34.95 34.30 2c3m s ARG 306 CO 0.87 -0.21 1.15 -2.14 -0.68 0.00 0.00 175.30 174.29 2c3m s PRO 307 N 1.46 2.80 -0.42 3.54 0.02 -1.26 0.38 135.00 141.52 2c3m s PRO 307 Ca -0.05 1.58 -0.19 0.00 0.02 0.00 0.00 61.00 62.36 2c3m s PRO 307 Cb -0.12 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.48 2c3m s PRO 307 CO -0.05 -1.29 0.52 0.12 -0.33 0.00 0.00 177.00 175.98 2c3m s PHE 308 N -2.03 3.13 -0.48 6.54 5.36 -1.22 -4.94 117.98 124.35 2c3m s PHE 308 Ca 0.71 -0.20 -0.15 0.00 -0.96 0.00 0.00 56.93 56.33 2c3m s PHE 308 Cb -0.25 -3.06 0.08 0.00 -0.34 0.00 0.00 43.02 39.45 2c3m s PHE 308 CO 0.38 -0.75 0.40 0.08 -1.46 0.00 0.00 175.22 173.87 2c3m s VAL 309 N 2.42 5.16 0.40 3.12 1.01 -1.26 -4.94 120.40 126.30 2c3m s VAL 309 Ca 0.17 -1.14 0.09 0.00 0.00 0.00 0.00 61.98 61.10 2c3m s VAL 309 Cb -0.16 -4.11 0.30 0.00 0.00 0.00 0.00 36.38 32.41 2c3m s VAL 309 CO 0.16 -0.61 1.99 0.77 0.00 0.00 0.00 175.10 177.41 2c3m h SER 310 N 8.75 0.52 -0.73 3.32 4.64 -1.98 -2.15 113.55 125.91 2c3m h SER 310 Ca -0.28 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.05 2c3m h SER 310 Cb 1.11 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 2c3m h SER 310 CO 0.89 0.34 0.48 -0.08 -0.87 0.00 0.00 176.83 177.59 2c3m h GLU 311 N 0.59 0.95 -0.10 4.77 4.81 -1.99 -0.94 114.58 122.66 2c3m h GLU 311 Ca 0.26 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 2c3m h GLU 311 Cb 0.27 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2c3m h GLU 311 CO -0.08 0.63 -0.56 0.00 -0.73 0.00 0.00 179.01 178.28 2c3m h ALA 312 N 1.27 0.86 0.04 2.92 0.00 -1.84 -1.82 119.26 120.69 2c3m h ALA 312 Ca 0.27 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2c3m h ALA 312 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2c3m h ALA 312 CO -0.07 0.70 -0.02 0.35 0.00 0.00 0.00 179.25 180.21 2c3m h PHE 313 N 0.24 -0.04 -0.02 0.00 3.57 -0.87 -2.91 116.94 116.90 2c3m h PHE 313 Ca 0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2c3m h PHE 313 Cb 1.05 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2c3m h PHE 313 CO 0.03 0.11 -0.31 0.74 -2.23 0.00 0.00 178.31 176.65 2c3m h PHE 314 N -0.20 0.04 0.00 0.41 -1.00 -1.15 -1.86 116.94 113.18 2c3m h PHE 314 Ca -0.00 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 2c3m h PHE 314 Cb 0.18 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 2c3m h PHE 314 CO -0.03 0.34 -0.05 0.00 -1.61 0.00 0.00 178.31 176.97 2c3m h ALA 315 N 1.66 1.44 -0.02 2.45 0.00 -1.14 -1.51 119.26 122.14 2c3m h ALA 315 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2c3m h ALA 315 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2c3m h ALA 315 CO 0.04 0.06 -0.31 0.00 0.00 0.00 0.00 179.25 179.04 2c3m n ALA 316 N -2.31 3.19 -2.61 0.00 0.00 -0.72 -4.92 120.51 113.14 2c3m n ALA 316 Ca -0.03 -0.60 -0.40 0.00 0.00 0.00 0.00 53.44 52.41 2c3m n ALA 316 Cb 0.14 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.35 4.06 0.24 0.00 0.20 -0.57 -4.66 118.68 115.59 2c3m s LEU 317 Ca 0.23 0.50 -0.30 0.00 0.69 0.00 0.00 54.13 55.24 2c3m s LEU 317 Cb 0.19 -2.66 -0.10 0.00 -0.43 0.00 0.00 46.19 43.19 2c3m s LEU 317 CO 0.49 -0.29 1.47 -2.84 -0.29 0.00 0.00 176.35 174.89 2c3m s PRO 318 N 2.31 4.25 0.38 0.98 0.02 -1.26 -4.85 135.00 136.82 2c3m s PRO 318 Ca 0.21 2.34 0.27 0.00 0.02 0.00 0.00 61.00 63.83 2c3m s PRO 318 Cb -0.16 -3.11 1.32 0.00 0.02 0.00 0.00 34.50 32.58 2c3m s PRO 318 CO 0.09 -0.46 1.81 0.00 -0.33 0.00 0.00 177.00 178.11 2c3m h ALA 319 N 5.23 1.00 0.00 -1.55 0.00 -1.91 -1.81 119.26 120.22 2c3m h ALA 319 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2c3m h ALA 319 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2c3m h ALA 319 CO 0.79 0.00 -0.20 -1.13 0.00 0.00 0.00 179.25 178.72 2c3m n SER 320 N -2.46 0.21 -4.69 0.00 3.41 -1.26 -4.88 113.62 103.95 2c3m n SER 320 Ca -0.00 0.22 -0.42 0.00 -0.26 0.00 0.00 58.87 58.40 2c3m n SER 320 Cb 0.13 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 2c3m n SER 320 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c3m s ALA 321 N -3.00 3.73 -0.10 7.33 0.00 -0.68 -4.24 121.76 124.79 2c3m s ALA 321 Ca 0.13 1.35 0.13 0.00 0.00 0.00 0.00 51.96 53.56 2c3m s ALA 321 Cb 0.18 -3.74 -0.19 0.00 0.00 0.00 0.00 23.12 19.38 2c3m s ALA 321 CO 0.60 -1.18 0.14 1.63 0.00 0.00 0.00 175.76 176.94 2c3m n LYS 322 N 5.69 1.33 -4.18 0.00 5.02 0.23 -4.80 118.16 121.46 2c3m n LYS 322 Ca 0.17 -0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.22 2c3m n LYS 322 Cb 0.39 -1.35 -0.16 0.00 -0.02 0.00 0.00 35.03 33.89 2c3m n LYS 322 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2c3m s VAL 323 N -2.56 0.52 -0.06 -0.18 1.01 -0.45 -1.22 120.40 117.46 2c3m s VAL 323 Ca -0.06 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2c3m s VAL 323 Cb 0.06 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.93 2c3m s VAL 323 CO 0.58 0.21 -0.10 -0.63 0.00 0.00 0.00 175.10 175.16 2c3m s ILE 324 N 0.72 0.93 -0.09 2.22 1.01 0.74 -1.09 121.20 125.63 2c3m s ILE 324 Ca -0.09 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.24 2c3m s ILE 324 Cb -0.13 -0.87 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 2c3m s ILE 324 CO 0.00 0.31 -0.24 0.42 0.00 0.00 0.00 174.94 175.43 2c3m s THR 325 N 0.75 2.06 -0.25 2.92 -4.23 -0.31 -0.01 115.64 116.57 2c3m s THR 325 Ca -0.13 -1.03 -0.11 0.00 -1.18 0.00 0.00 61.69 59.24 2c3m s THR 325 Cb -0.15 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 71.86 2c3m s THR 325 CO 0.02 0.56 0.19 -0.69 -0.54 0.00 0.00 174.62 174.16 2c3m s VAL 326 N 0.26 5.33 -0.22 2.29 1.01 0.49 -1.00 120.40 128.56 2c3m s VAL 326 Ca -0.17 0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 2c3m s VAL 326 Cb -0.17 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2c3m s VAL 326 CO 0.08 0.30 0.28 -0.76 0.00 0.00 0.00 175.10 175.01 2c3m s LEU 327 N 1.35 4.13 -0.12 3.92 1.02 -0.05 -1.24 118.68 127.68 2c3m s LEU 327 Ca 0.08 0.30 0.01 0.00 0.02 0.00 0.00 54.13 54.54 2c3m s LEU 327 Cb -0.15 -2.31 -0.01 0.00 0.02 0.00 0.00 46.19 43.74 2c3m s LEU 327 CO 0.07 -0.02 -0.15 -1.81 0.02 0.00 0.00 176.35 174.46 2c3m s ASP 328 N 1.09 3.82 -0.89 2.29 1.01 0.06 -4.55 116.67 119.50 2c3m s ASP 328 Ca 0.13 -0.38 -0.03 0.00 0.71 0.00 0.00 52.55 52.99 2c3m s ASP 328 Cb -0.14 -1.57 0.21 0.00 1.01 0.00 0.00 42.92 42.42 2c3m s ASP 328 CO 0.06 0.16 2.28 -1.14 0.21 0.00 0.00 175.17 176.75 2c3m n ARG 329 N 3.52 3.71 -3.41 8.23 0.63 -1.26 -2.75 116.66 125.33 2c3m n ARG 329 Ca -0.18 -3.43 -0.07 0.00 -0.92 0.00 0.00 57.85 53.25 2c3m n ARG 329 Cb 0.53 -2.37 0.02 0.00 0.45 0.00 0.00 32.46 31.10 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 0.52 0.00 -3.63 5.15 5.66 -1.26 -0.25 114.28 120.46 2c3m n THR 330 Ca 0.53 -0.78 -0.11 0.00 -3.05 0.00 0.00 64.05 60.64 2c3m n THR 330 Cb 0.33 0.82 -0.11 0.00 -1.55 0.00 0.00 70.33 69.82 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 -2.07 0.25 -0.49 1.09 2.20 -1.26 -4.81 119.74 114.65 2c3m s LYS 331 Ca 0.15 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 2c3m s LYS 331 Cb -0.04 0.08 0.13 0.00 -1.51 0.00 0.00 37.83 36.49 2c3m s LYS 331 CO 0.09 -0.31 0.26 -1.21 -0.36 0.00 0.00 175.35 173.82 2c3m s GLU 332 N 2.53 2.07 0.07 4.03 2.02 -1.26 -5.07 118.70 123.09 2c3m s GLU 332 Ca 0.01 -2.26 -0.36 0.00 0.02 0.00 0.00 54.97 52.38 2c3m s GLU 332 Cb -0.12 -3.49 -0.15 0.00 0.10 0.00 0.00 34.13 30.46 2c3m s GLU 332 CO -0.11 -1.09 1.49 -2.30 0.02 0.00 0.00 175.26 173.27 2c3m n PRO 333 N 3.81 1.57 0.00 0.39 -0.02 -1.26 -1.82 135.00 137.67 2c3m n PRO 333 Ca 0.04 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2c3m n PRO 333 Cb 0.38 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 3.09 2.84 3.77 -1.23 0.00 -1.26 -5.03 105.19 107.36 2c3m n GLY 334 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 2.57 -0.97 4.61 0.00 -0.76 -4.89 121.76 120.32 2c3m s ALA 335 Ca 0.00 0.72 0.17 0.00 0.00 0.00 0.00 51.96 52.85 2c3m s ALA 335 Cb 0.00 -3.35 0.72 0.00 0.00 0.00 0.00 23.12 20.49 2c3m s ALA 335 CO 0.00 -1.05 1.54 -0.35 0.00 0.00 0.00 175.76 175.91 2c3m n PRO 336 N -1.83 0.01 0.00 0.00 -0.04 -1.26 -4.84 135.00 127.04 2c3m n PRO 336 Ca 0.11 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 2c3m n PRO 336 Cb 0.51 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2c3m n PRO 336 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c3m n GLY 337 N 0.21 0.90 3.84 0.55 0.00 -1.26 -5.08 105.19 104.35 2c3m n GLY 337 Ca 0.04 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 2c3m n GLY 337 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c3m s ASP 338 N 0.00 5.21 0.14 1.61 1.01 -1.26 -4.79 116.67 118.59 2c3m s ASP 338 Ca 0.00 1.31 -0.31 0.00 0.71 0.00 0.00 52.55 54.27 2c3m s ASP 338 Cb 0.00 -2.14 -0.08 0.00 1.01 0.00 0.00 42.92 41.71 2c3m s ASP 338 CO 0.00 -1.52 1.52 -0.65 0.21 0.00 0.00 175.17 174.74 2c3m h PRO 339 N -0.77 -0.13 -0.72 8.23 0.11 -1.99 -1.48 132.00 135.25 2c3m h PRO 339 Ca -0.45 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 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 0.61 -0.09 0.36 1.25 -0.21 0.00 0.00 178.00 179.92 2c3m h LEU 340 N -0.14 0.92 -0.27 2.35 5.85 -1.94 -1.66 115.31 120.42 2c3m h LEU 340 Ca 0.12 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2c3m h LEU 340 Cb 0.46 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2c3m h LEU 340 CO -0.79 0.76 0.13 0.22 -0.34 0.00 0.00 178.44 178.43 2c3m h TYR 341 N 1.02 0.38 -0.90 1.25 3.20 -1.79 -1.51 116.97 118.63 2c3m h TYR 341 Ca 0.25 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 2c3m h TYR 341 Cb 0.08 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 2c3m h TYR 341 CO 0.01 0.36 0.51 -0.07 -1.64 0.00 0.00 178.16 177.32 2c3m h LEU 342 N 0.30 1.11 -0.45 2.82 3.38 -0.85 -0.04 115.31 121.58 2c3m h LEU 342 Ca 0.09 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2c3m h LEU 342 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2c3m h LEU 342 CO -0.01 0.87 0.15 0.44 0.09 0.00 0.00 178.44 179.98 2c3m h ASP 343 N 1.25 0.65 -0.45 -0.43 3.32 -1.06 -1.57 116.42 118.13 2c3m h ASP 343 Ca 0.32 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 2c3m h ASP 343 Cb 0.00 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2c3m h ASP 343 CO -0.05 0.67 0.10 0.58 -1.72 0.00 0.00 179.24 178.82 2c3m h VAL 344 N 0.59 1.24 -0.88 -1.35 2.07 -0.88 -2.10 116.25 114.93 2c3m h VAL 344 Ca 0.15 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.90 2c3m h VAL 344 Cb 0.25 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 2c3m h VAL 344 CO -0.01 0.30 0.55 0.00 0.02 0.00 0.00 177.57 178.43 2c3m h SER 346 N 0.97 0.77 -0.55 0.00 4.64 -0.92 -1.73 113.55 116.73 2c3m h SER 346 Ca 0.40 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2c3m h SER 346 Cb 0.22 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 2c3m h SER 346 CO -0.19 0.72 0.36 0.00 -0.87 0.00 0.00 176.83 176.85 2c3m h ALA 347 N 1.39 0.69 -0.26 5.18 0.00 -0.51 -0.72 119.26 125.03 2c3m h ALA 347 Ca 0.19 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2c3m h ALA 347 Cb 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2c3m h ALA 347 CO -0.01 0.14 -0.53 0.74 0.00 0.00 0.00 179.25 179.59 2c3m h PHE 348 N 0.74 0.95 -0.36 0.00 -1.00 -1.10 -1.80 116.94 114.36 2c3m h PHE 348 Ca 0.20 -0.33 -0.11 0.00 2.81 0.00 0.00 57.97 60.54 2c3m h PHE 348 Cb -0.07 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.29 2c3m h PHE 348 CO -0.03 1.13 -0.22 -0.39 -1.61 0.00 0.00 178.31 177.18 2c3m h VAL 349 N 0.59 1.27 -0.04 -0.55 -1.51 -1.15 -2.04 116.25 112.82 2c3m h VAL 349 Ca 0.02 -1.31 -0.15 0.00 -1.23 0.00 0.00 66.70 64.02 2c3m h VAL 349 Cb 1.11 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 2c3m h VAL 349 CO 0.11 0.44 -0.66 -0.08 -1.23 0.00 0.00 177.57 176.15 2c3m h GLU 350 N 0.62 0.19 -0.58 5.19 4.81 -1.10 -3.01 114.58 120.71 2c3m h GLU 350 Ca 0.09 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 2c3m h GLU 350 Cb 0.71 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2c3m h GLU 350 CO 0.05 0.78 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.99 2c3m h ARG 351 N 0.13 1.04 -4.33 1.92 2.43 -1.12 -3.47 114.38 110.98 2c3m h ARG 351 Ca -0.01 -0.35 -0.35 0.00 -0.81 0.00 0.00 59.98 58.45 2c3m h ARG 351 Cb 1.18 -0.08 0.07 0.00 -0.42 0.00 0.00 29.97 30.72 2c3m h ARG 351 CO 0.10 1.04 -0.55 0.41 -1.51 0.00 0.00 179.97 179.46 2c3m n GLY 352 N -0.36 -0.36 0.00 2.80 0.00 -0.78 -4.97 105.19 101.51 2c3m n GLY 352 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.86 0.00 -1.78 1.61 1.02 -1.26 -5.08 120.64 111.29 2c3m n GLU 353 Ca -0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.66 2c3m n GLU 353 Cb 0.59 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.00 2c3m n GLU 353 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2c3m s ALA 354 N -2.00 3.65 -0.61 0.62 0.00 -1.26 -4.97 121.76 117.20 2c3m s ALA 354 Ca 0.00 1.59 0.04 0.00 0.00 0.00 0.00 51.96 53.59 2c3m s ALA 354 Cb 0.00 -3.63 0.15 0.00 0.00 0.00 0.00 23.12 19.64 2c3m s ALA 354 CO 0.00 -1.04 0.38 -1.64 0.00 0.00 0.00 175.76 173.46 2c3m s MET 355 N -1.44 2.15 0.98 0.00 -1.94 -1.26 -5.02 119.30 112.77 2c3m s MET 355 Ca 0.57 -2.94 -0.11 0.00 -1.71 0.00 0.00 55.69 51.50 2c3m s MET 355 Cb -0.47 -3.25 0.18 0.00 2.01 0.00 0.00 34.83 33.30 2c3m s MET 355 CO 0.57 -1.21 1.09 -2.14 -0.01 0.00 0.00 175.02 173.32 2c3m s PRO 356 N -0.84 0.51 -0.07 2.03 0.02 -1.26 -4.92 135.00 130.47 2c3m s PRO 356 Ca 0.22 1.08 -0.30 0.00 0.02 0.00 0.00 61.00 62.02 2c3m s PRO 356 Cb -0.14 -1.70 -0.03 0.00 0.02 0.00 0.00 34.50 32.65 2c3m s PRO 356 CO -0.09 -2.83 1.19 0.21 -0.33 0.00 0.00 177.00 175.15 2c3m s LYS 357 N -4.69 4.35 -0.16 5.54 2.47 -0.36 -4.91 119.74 121.98 2c3m s LYS 357 Ca 0.66 1.65 -0.02 0.00 -1.56 0.00 0.00 55.97 56.70 2c3m s LYS 357 Cb -0.22 -3.57 -0.02 0.00 -1.46 0.00 0.00 37.83 32.56 2c3m s LYS 357 CO 0.60 -0.46 -0.07 0.42 0.16 0.00 0.00 175.35 175.99 2c3m s ILE 358 N 2.31 3.45 0.15 5.43 1.01 -1.26 -0.19 121.20 132.11 2c3m s ILE 358 Ca 0.55 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.80 2c3m s ILE 358 Cb -0.24 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2c3m s ILE 358 CO 0.21 0.49 -0.22 -0.76 0.00 0.00 0.00 174.94 174.66 2c3m s LEU 359 N 0.64 2.54 -0.09 2.97 1.43 0.99 -4.98 118.68 122.17 2c3m s LEU 359 Ca -0.04 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 2c3m s LEU 359 Cb -0.15 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 2c3m s LEU 359 CO 0.03 0.16 -0.16 0.00 0.23 0.00 0.00 176.35 176.60 2c3m s ALA 360 N -1.31 2.53 0.02 4.21 0.00 -1.26 -0.38 121.76 125.56 2c3m s ALA 360 Ca 0.18 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2c3m s ALA 360 Cb -0.09 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 2c3m s ALA 360 CO 0.09 0.37 -0.07 0.20 0.00 0.00 0.00 175.76 176.35 2c3m s GLY 361 N -0.06 0.42 -0.07 0.00 0.00 -0.38 -0.92 107.32 106.31 2c3m s GLY 361 Ca -0.04 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 44.18 2c3m s GLY 361 CO 0.04 -0.54 -0.15 -1.60 0.00 0.00 0.00 173.10 170.85 2c3m s ARG 362 N -0.91 2.74 0.30 2.90 3.52 -0.13 -0.76 118.95 126.60 2c3m s ARG 362 Ca -0.04 -0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 54.77 2c3m s ARG 362 Cb -0.06 -2.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.91 2c3m s ARG 362 CO 0.00 0.49 0.47 1.52 -0.81 0.00 0.00 175.30 176.97 2c3m s TYR 363 N -0.38 0.73 -0.47 5.12 1.13 -1.11 -1.54 117.35 120.83 2c3m s TYR 363 Ca 0.04 -1.05 0.00 0.00 -1.41 0.00 0.00 57.07 54.65 2c3m s TYR 363 Cb -0.12 0.05 0.00 0.00 -1.10 0.00 0.00 41.96 40.78 2c3m s TYR 363 CO 0.02 -1.07 0.00 0.41 -2.51 0.00 0.00 175.55 172.40 2c3m n GLY 364 N -0.47 -0.28 3.76 5.49 0.00 -1.26 -4.39 105.19 108.04 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 -4.69 4.35 -1.36 0.99 1.02 -1.26 -2.64 118.68 115.09 2c3m s LEU 365 Ca 0.00 2.92 -0.00 0.00 0.02 0.00 0.00 54.13 57.07 2c3m s LEU 365 Cb 0.00 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.57 2c3m s LEU 365 CO 0.00 -0.86 0.54 0.61 0.02 0.00 0.00 176.35 176.67 2c3m n GLY 366 N 1.73 -0.25 2.48 -3.19 0.00 -1.17 -1.70 105.19 103.09 2c3m n GLY 366 Ca 0.06 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.02 -5.39 -4.74 1.61 7.64 0.16 -4.59 113.62 105.30 2c3m n SER 367 Ca -0.31 0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 2c3m n SER 367 Cb 0.68 -4.68 -0.00 0.00 -1.01 0.00 0.00 64.21 59.21 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 -2.55 2.37 -1.71 1.43 3.00 -0.69 -4.87 118.16 115.13 2c3m n LYS 368 Ca -0.21 0.83 -0.41 0.00 -0.00 0.00 0.00 58.31 58.52 2c3m n LYS 368 Cb 0.66 -2.51 0.01 0.00 0.00 0.00 0.00 35.03 33.19 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 0.41 2.11 -3.62 1.64 -0.58 -1.26 -4.28 120.64 115.05 2c3m n GLU 369 Ca 0.03 0.74 -0.29 0.00 -0.42 0.00 0.00 57.16 57.23 2c3m n GLU 369 Cb 0.38 -2.43 -0.12 0.00 -0.57 0.00 0.00 31.44 28.70 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 -1.16 1.71 0.62 -0.32 2.19 -1.26 -4.66 117.98 115.10 2c3m s PHE 370 Ca 0.58 -2.33 0.00 0.00 0.33 0.00 0.00 56.93 55.52 2c3m s PHE 370 Cb -0.52 -1.58 0.07 0.00 -1.31 0.00 0.00 43.02 39.69 2c3m s PHE 370 CO 0.60 -0.78 0.87 -1.54 1.83 0.00 0.00 175.22 176.20 2c3m s SER 371 N 0.26 4.90 0.26 6.13 1.04 -1.26 -4.78 113.70 120.25 2c3m s SER 371 Ca 0.21 -0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 2c3m s SER 371 Cb -0.17 -0.55 0.41 0.00 0.10 0.00 0.00 66.02 65.81 2c3m s SER 371 CO -0.05 -1.44 1.86 -0.65 0.98 0.00 0.00 173.24 173.93 2c3m h PRO 372 N -0.19 1.03 -0.87 4.02 0.11 -1.97 -1.36 132.00 132.77 2c3m h PRO 372 Ca -0.40 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.69 2c3m h PRO 372 Cb 1.29 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 2c3m h PRO 372 CO 0.48 0.68 0.57 0.00 -0.21 0.00 0.00 178.00 179.52 2c3m h ALA 373 N 1.45 1.48 -0.32 -0.75 0.00 -1.93 0.14 119.26 119.34 2c3m h ALA 373 Ca 0.42 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 2c3m h ALA 373 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2c3m h ALA 373 CO -0.19 0.42 -0.42 0.52 0.00 0.00 0.00 179.25 179.59 2c3m h MET 374 N 1.06 0.78 -0.68 0.00 2.86 -1.65 -1.54 114.93 115.76 2c3m h MET 374 Ca 0.35 -0.42 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2c3m h MET 374 Cb 0.07 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2c3m h MET 374 CO -0.11 1.05 0.30 0.28 1.06 0.00 0.00 176.91 179.48 2c3m h VAL 375 N 0.64 1.24 -0.89 -2.22 2.07 -0.37 -1.50 116.25 115.21 2c3m h VAL 375 Ca 0.05 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.92 2c3m h VAL 375 Cb 0.98 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 2c3m h VAL 375 CO 0.09 0.28 0.56 0.50 0.02 0.00 0.00 177.57 179.03 2c3m h LYS 376 N 0.95 1.03 -0.58 1.57 1.63 -0.46 -1.43 116.57 119.28 2c3m h LYS 376 Ca 0.23 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.98 2c3m h LYS 376 Cb 0.16 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 2c3m h LYS 376 CO -0.02 0.68 0.37 0.77 -3.45 0.00 0.00 179.45 177.80 2c3m h SER 377 N 1.06 0.64 -0.50 4.20 0.02 -0.41 0.11 113.55 118.67 2c3m h SER 377 Ca 0.37 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 2c3m h SER 377 Cb 0.09 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2c3m h SER 377 CO -0.15 0.46 0.29 0.58 -1.14 0.00 0.00 176.83 176.87 2c3m h VAL 378 N 0.76 1.16 -0.41 2.27 2.07 -0.43 0.61 116.25 122.28 2c3m h VAL 378 Ca 0.22 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 2c3m h VAL 378 Cb -0.07 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2c3m h VAL 378 CO -0.06 0.17 -0.28 1.88 0.02 0.00 0.00 177.57 179.30 2c3m h TYR 379 N 0.66 1.06 -0.66 1.57 -1.99 -0.97 -2.98 116.97 113.67 2c3m h TYR 379 Ca 0.18 -0.29 -0.02 0.00 2.00 0.00 0.00 58.73 60.60 2c3m h TYR 379 Cb 0.02 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.49 2c3m h TYR 379 CO -0.02 1.09 0.33 -0.44 -0.00 0.00 0.00 178.16 179.12 2c3m h ASP 380 N 0.73 0.84 -0.84 3.88 3.32 -0.54 -2.16 116.42 121.65 2c3m h ASP 380 Ca 0.08 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2c3m h ASP 380 Cb 0.86 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 2c3m h ASP 380 CO 0.08 0.70 0.55 -1.13 -1.72 0.00 0.00 179.24 177.72 2c3m h ASN 381 N 0.93 0.92 0.65 6.45 -1.24 -0.73 -0.10 115.58 122.46 2c3m h ASN 381 Ca 0.23 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.20 2c3m h ASN 381 Cb 0.08 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 2c3m h ASN 381 CO -0.03 0.65 -0.14 0.24 -1.29 0.00 0.00 177.43 176.85 2c3m h MET 382 N 1.08 0.00 -0.00 6.67 2.86 -1.27 0.17 114.93 124.43 2c3m h MET 382 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2c3m h MET 382 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2c3m h MET 382 CO -0.09 0.14 -0.85 -1.13 1.06 0.00 0.00 176.91 176.05 2c3m n SER 383 N -3.44 1.12 0.00 1.22 3.41 -0.81 -4.82 113.62 110.31 2c3m n SER 383 Ca -0.01 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 2c3m n SER 383 Cb 0.31 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 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 1.45 1.15 0.25 5.00 0.00 -0.11 -4.96 105.19 107.96 2c3m n GLY 384 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.09 1.84 -5.85 4.61 0.00 -1.80 -3.47 119.26 114.49 2c3m h ALA 385 Ca 0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 54.91 54.46 2c3m h ALA 385 Cb 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 17.79 17.90 2c3m h ALA 385 CO 0.00 0.10 -0.75 1.63 0.00 0.00 0.00 179.25 180.23 2c3m n LYS 386 N -4.40 -6.74 -1.98 0.00 5.02 0.54 -4.92 118.16 105.68 2c3m n LYS 386 Ca -0.03 0.78 -0.41 0.00 -2.02 0.00 0.00 58.31 56.64 2c3m n LYS 386 Cb 0.16 -5.74 -0.02 0.00 -0.02 0.00 0.00 35.03 29.41 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 -5.90 4.25 0.22 1.97 2.20 -1.26 -5.01 119.74 116.20 2c3m s LYS 387 Ca 0.27 2.35 0.07 0.00 -0.36 0.00 0.00 55.97 58.30 2c3m s LYS 387 Cb -0.12 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 2c3m s LYS 387 CO 0.75 -0.38 0.13 1.21 -0.36 0.00 0.00 175.35 176.70 2c3m s ASN 388 N -0.04 5.31 -1.36 1.43 2.47 -1.26 -4.60 114.94 116.89 2c3m s ASN 388 Ca 0.54 -0.28 -0.01 0.00 0.42 0.00 0.00 52.86 53.53 2c3m s ASN 388 Cb -0.43 -1.30 -0.00 0.00 -1.45 0.00 0.00 41.25 38.07 2c3m s ASN 388 CO 0.52 0.02 0.53 1.41 -3.72 0.00 0.00 177.10 175.85 2c3m n HIS 389 N -0.75 -1.75 -2.77 0.43 8.25 -0.09 -4.92 115.22 113.61 2c3m n HIS 389 Ca -0.08 0.76 -0.21 0.00 -0.26 0.00 0.00 57.72 57.93 2c3m n HIS 389 Cb 0.57 -3.94 0.06 0.00 1.12 0.00 0.00 29.99 27.80 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 -3.84 2.20 0.07 4.41 -0.12 -0.82 -4.90 117.98 114.99 2c3m s PHE 390 Ca 0.03 -0.30 0.06 0.00 -0.05 0.00 0.00 56.93 56.67 2c3m s PHE 390 Cb -0.01 -2.64 -0.03 0.00 -0.63 0.00 0.00 43.02 39.71 2c3m s PHE 390 CO 0.86 -1.08 -0.15 0.95 -0.05 0.00 0.00 175.22 175.75 2c3m s THR 391 N -2.77 1.22 -0.02 -4.49 -4.23 0.03 -0.96 115.64 104.41 2c3m s THR 391 Ca 0.60 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 2c3m s THR 391 Cb -0.08 -1.14 0.02 0.00 1.34 0.00 0.00 72.50 72.64 2c3m s THR 391 CO 0.39 -0.13 0.00 0.54 -0.54 0.00 0.00 174.62 174.88 2c3m s VAL 392 N -1.14 0.13 0.00 2.29 0.11 -0.59 -1.46 120.40 119.73 2c3m s VAL 392 Ca 0.00 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2c3m s VAL 392 Cb -0.09 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 2c3m s VAL 392 CO 0.02 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 2c3m n GLY 393 N 3.88 1.02 3.20 6.54 0.00 -1.26 -4.41 105.19 114.16 2c3m n GLY 393 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 0.28 -0.42 -0.61 -4.36 -1.26 -4.93 121.20 107.90 2c3m s ILE 394 Ca 0.00 -1.95 -0.07 0.00 -0.26 0.00 0.00 60.65 58.37 2c3m s ILE 394 Cb 0.00 -2.21 0.10 0.00 1.25 0.00 0.00 42.46 41.60 2c3m s ILE 394 CO 0.00 -0.33 0.25 -0.70 0.24 0.00 0.00 174.94 174.40 2c3m s GLU 395 N -4.03 2.37 -1.05 0.37 2.12 -1.26 -4.67 118.70 112.55 2c3m s GLU 395 Ca 0.28 -1.65 -0.16 0.00 0.36 0.00 0.00 54.97 53.80 2c3m s GLU 395 Cb 0.07 -3.73 0.16 0.00 0.26 0.00 0.00 34.13 30.90 2c3m s GLU 395 CO 0.05 -1.04 1.22 0.34 -0.54 0.00 0.00 175.26 175.29 2c3m s ASP 396 N 2.15 6.86 0.00 -1.70 3.68 -1.26 -1.85 116.67 124.55 2c3m s ASP 396 Ca 0.05 -2.58 0.25 0.00 2.13 0.00 0.00 52.55 52.40 2c3m s ASP 396 Cb -0.24 -2.37 1.09 0.00 -1.45 0.00 0.00 42.92 39.95 2c3m s ASP 396 CO -0.01 -0.85 1.75 -0.90 0.13 0.00 0.00 175.17 175.29 2c3m n ASP 397 N 5.73 1.13 -0.11 -0.34 5.75 -1.26 -0.92 116.55 126.54 2c3m n ASP 397 Ca 0.28 -1.48 -0.21 0.00 -0.01 0.00 0.00 54.79 53.37 2c3m n ASP 397 Cb 0.46 -0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 40.42 2c3m n ASP 397 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2c3m n VAL 398 N -0.08 1.51 0.53 2.12 0.24 -1.26 -4.63 118.33 116.77 2c3m n VAL 398 Ca 0.18 -0.08 0.06 0.00 -2.04 0.00 0.00 64.34 62.46 2c3m n VAL 398 Cb 0.27 -2.07 0.03 0.00 -1.47 0.00 0.00 33.84 30.60 2c3m n VAL 398 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2c3m n THR 399 N -4.41 0.00 -3.05 3.34 -2.24 -1.26 -5.02 114.28 101.64 2c3m n THR 399 Ca -0.34 -0.44 -0.23 0.00 -2.27 0.00 0.00 64.05 60.78 2c3m n THR 399 Cb 0.67 1.21 0.04 0.00 -2.10 0.00 0.00 70.33 70.14 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 0.84 -0.52 0.29 3.38 0.00 -0.10 -4.91 105.19 104.17 2c3m n GLY 400 Ca 0.06 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.52 0.00 -3.06 2.61 -2.24 -1.25 -4.96 114.28 100.85 2c3m n THR 401 Ca -0.11 -0.15 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 2c3m n THR 401 Cb 0.62 0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 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 -2.50 6.77 -0.03 3.42 1.04 -1.26 -0.79 113.70 120.34 2c3m s SER 402 Ca 0.23 1.32 -0.14 0.00 0.48 0.00 0.00 55.95 57.84 2c3m s SER 402 Cb 0.19 -2.39 -0.05 0.00 0.10 0.00 0.00 66.02 63.87 2c3m s SER 402 CO 0.53 -0.25 0.37 -0.76 0.98 0.00 0.00 173.24 174.11 2c3m s LEU 403 N -3.11 4.44 0.37 2.42 1.43 -0.54 -4.87 118.68 118.82 2c3m s LEU 403 Ca 0.55 0.85 -0.27 0.00 -1.03 0.00 0.00 54.13 54.24 2c3m s LEU 403 Cb -0.10 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 2c3m s LEU 403 CO 0.18 0.30 1.21 -2.16 0.23 0.00 0.00 176.35 176.11 2c3m s PRO 404 N -0.86 4.21 -0.15 1.29 0.04 -1.26 -4.72 135.00 133.55 2c3m s PRO 404 Ca 0.22 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.24 2c3m s PRO 404 Cb -0.16 -2.86 0.01 0.00 0.04 0.00 0.00 34.50 31.53 2c3m s PRO 404 CO 0.11 -0.23 -0.20 0.08 0.04 0.00 0.00 177.00 176.81 2c3m s VAL 405 N -1.29 2.25 -0.59 -0.36 1.01 -1.26 -4.79 120.40 115.36 2c3m s VAL 405 Ca 0.53 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 2c3m s VAL 405 Cb -0.34 -1.91 0.12 0.00 0.00 0.00 0.00 36.38 34.25 2c3m s VAL 405 CO 0.44 0.54 0.65 -0.62 0.00 0.00 0.00 175.10 176.10 2c3m s ASP 406 N 0.83 6.22 0.00 3.32 3.68 -1.26 -4.92 116.67 124.55 2c3m s ASP 406 Ca -0.06 -1.63 0.04 0.00 2.13 0.00 0.00 52.55 53.03 2c3m s ASP 406 Cb -0.15 -2.27 0.23 0.00 -1.45 0.00 0.00 42.92 39.28 2c3m s ASP 406 CO -0.02 -1.00 0.72 0.59 0.13 0.00 0.00 175.17 175.59 2c3m n ASN 407 N 5.86 0.00 -0.25 -0.34 3.02 -1.26 -2.20 115.26 120.09 2c3m n ASN 407 Ca -0.09 -0.91 0.14 0.00 -0.03 0.00 0.00 54.58 53.69 2c3m n ASN 407 Cb 0.42 0.00 0.57 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 -0.62 2.76 -1.59 5.41 0.00 -1.26 -4.91 120.51 120.30 2c3m n ALA 408 Ca 0.03 -0.35 -0.44 0.00 0.00 0.00 0.00 53.44 52.68 2c3m n ALA 408 Cb 0.01 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.51 1.29 -1.87 0.00 -0.00 -0.93 -4.91 117.46 110.54 2c3m n PHE 409 Ca 0.17 0.70 -0.33 0.00 -0.00 0.00 0.00 57.45 57.98 2c3m n PHE 409 Cb 0.30 -2.25 0.03 0.00 -0.00 0.00 0.00 39.48 37.56 2c3m n PHE 409 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c3m s ALA 410 N -1.07 2.55 0.26 3.13 0.00 -1.26 -4.97 121.76 120.41 2c3m s ALA 410 Ca 0.59 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 2c3m s ALA 410 Cb -0.69 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.02 2c3m s ALA 410 CO 0.60 -1.12 1.52 0.34 0.00 0.00 0.00 175.76 177.10 2c3m s ASP 411 N -2.56 6.53 0.00 0.00 -1.08 -1.26 -4.92 116.67 113.37 2c3m s ASP 411 Ca 0.67 2.78 0.13 0.00 -0.52 0.00 0.00 52.55 55.61 2c3m s ASP 411 Cb -0.20 -2.62 0.27 0.00 -1.46 0.00 0.00 42.92 38.91 2c3m s ASP 411 CO 0.39 -0.81 1.16 0.35 0.52 0.00 0.00 175.17 176.79 2c3m n THR 412 N 2.44 0.66 -2.11 1.71 -2.24 -1.26 -5.02 114.28 108.47 2c3m n THR 412 Ca 0.08 -0.83 -0.37 0.00 -2.27 0.00 0.00 64.05 60.66 2c3m n THR 412 Cb 0.39 0.76 0.01 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.03 2.79 0.89 4.28 -4.23 -1.26 -4.82 115.64 112.27 2c3m s THR 413 Ca 0.23 0.57 -0.12 0.00 -1.18 0.00 0.00 61.69 61.19 2c3m s THR 413 Cb 0.13 -3.28 0.07 0.00 1.34 0.00 0.00 72.50 70.76 2c3m s THR 413 CO 0.18 -0.03 0.78 -2.65 -0.54 0.00 0.00 174.62 172.36 2c3m n PRO 414 N -0.84 -0.19 -1.91 3.99 -0.02 -1.26 -4.90 135.00 129.87 2c3m n PRO 414 Ca 0.09 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.16 2c3m n PRO 414 Cb 0.48 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 2c3m n PRO 414 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2c3m s LYS 415 N -3.91 4.20 0.00 -0.52 1.02 -1.26 -2.69 119.74 116.58 2c3m s LYS 415 Ca 0.64 2.43 0.00 0.00 0.02 0.00 0.00 55.97 59.06 2c3m s LYS 415 Cb -0.25 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2c3m s LYS 415 CO 0.61 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 2c3m n GLY 416 N 1.78 0.78 3.71 -3.33 0.00 -1.26 -4.65 105.19 102.21 2c3m n GLY 416 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.21 3.42 -0.16 2.61 2.01 -1.09 -4.49 115.64 115.73 2c3m s THR 417 Ca 0.00 0.97 -0.05 0.00 0.31 0.00 0.00 61.69 62.92 2c3m s THR 417 Cb 0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 2c3m s THR 417 CO 0.00 0.05 0.02 -0.63 -0.69 0.00 0.00 174.62 173.37 2c3m s ILE 418 N 1.52 4.40 -0.11 1.82 1.01 0.16 -4.96 121.20 125.04 2c3m s ILE 418 Ca 0.65 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 61.15 2c3m s ILE 418 Cb -0.35 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.17 2c3m s ILE 418 CO 0.29 0.49 -0.22 -1.10 0.00 0.00 0.00 174.94 174.41 2c3m s GLN 419 N 0.22 3.10 0.08 2.79 -0.21 -1.26 -1.22 119.66 123.15 2c3m s GLN 419 Ca 0.01 -0.84 0.08 0.00 0.02 0.00 0.00 55.36 54.63 2c3m s GLN 419 Cb -0.13 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.46 2c3m s GLN 419 CO 0.01 0.14 -0.20 0.00 -2.12 0.00 0.00 175.29 173.12 2c3m s GLN 421 N -1.61 1.27 -0.11 0.00 -0.21 -0.29 -0.87 119.66 117.83 2c3m s GLN 421 Ca 0.06 -0.37 0.01 0.00 0.02 0.00 0.00 55.36 55.09 2c3m s GLN 421 Cb -0.09 -1.13 0.02 0.00 1.00 0.00 0.00 33.01 32.80 2c3m s GLN 421 CO 0.03 0.10 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.11 2c3m s PHE 422 N 0.34 1.88 -0.39 0.91 0.40 -0.47 -1.01 117.98 119.63 2c3m s PHE 422 Ca -0.07 -0.91 -0.14 0.00 -0.60 0.00 0.00 56.93 55.22 2c3m s PHE 422 Cb -0.11 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.04 2c3m s PHE 422 CO 0.01 -0.50 0.27 -1.58 0.70 0.00 0.00 175.22 174.13 2c3m s TRP 423 N 1.15 3.24 0.32 0.36 0.52 0.34 -0.76 118.94 124.11 2c3m s TRP 423 Ca -0.04 -0.57 0.07 0.00 0.02 0.00 0.00 56.10 55.59 2c3m s TRP 423 Cb -0.14 -2.54 -0.06 0.00 -1.15 0.00 0.00 33.47 29.58 2c3m s TRP 423 CO -0.04 -0.55 -0.05 0.20 0.02 0.00 0.00 176.95 176.54 2c3m s GLY 424 N 1.67 2.05 -0.13 0.98 0.00 0.94 -0.70 107.32 112.13 2c3m s GLY 424 Ca 0.05 -2.03 -0.05 0.00 0.00 0.00 0.00 44.72 42.69 2c3m s GLY 424 CO 0.09 -1.93 0.06 -2.27 0.00 0.00 0.00 173.10 169.06 2c3m s LEU 425 N -3.53 3.91 0.20 0.66 2.96 -1.26 -0.35 118.68 121.26 2c3m s LEU 425 Ca 0.32 0.22 -0.32 0.00 -0.22 0.00 0.00 54.13 54.14 2c3m s LEU 425 Cb 0.05 -1.94 -0.15 0.00 0.50 0.00 0.00 46.19 44.64 2c3m s LEU 425 CO 0.14 0.32 1.11 0.61 -1.32 0.00 0.00 176.35 177.22 2c3m n GLY 426 N 2.55 -0.06 2.23 7.98 0.00 0.24 -1.67 105.19 116.47 2c3m n GLY 426 Ca -0.18 0.48 -0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 1.18 -0.01 1.07 4.61 0.00 -1.26 -4.70 120.51 121.40 2c3m n ALA 427 Ca 0.14 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.70 2c3m n ALA 427 Cb 0.26 -0.39 0.33 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.14 2.23 0.00 0.00 5.68 -0.67 -4.95 116.55 118.70 2c3m n ASP 428 Ca -0.00 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 2c3m n ASP 428 Cb 0.12 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 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 1.26 0.91 0.21 6.12 0.00 -1.26 -3.99 105.19 108.43 2c3m n GLY 429 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 0.58 -0.36 2.61 2.02 -1.92 -0.87 112.91 114.97 2c3m h THR 430 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2c3m h THR 430 Cb 0.00 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 2c3m h THR 430 CO 0.00 0.00 0.16 0.58 0.37 0.00 0.00 175.52 176.63 2c3m h VAL 431 N -0.23 0.95 -0.88 3.16 2.07 -1.95 0.22 116.25 119.59 2c3m h VAL 431 Ca 0.08 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2c3m h VAL 431 Cb 0.35 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2c3m h VAL 431 CO -0.22 0.06 0.57 1.23 0.02 0.00 0.00 177.57 179.23 2c3m h GLY 432 N 0.34 1.28 0.98 2.17 0.00 -1.91 -1.14 103.07 104.79 2c3m h GLY 432 Ca 0.16 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 2c3m h GLY 432 CO -0.13 0.37 -0.04 0.00 0.00 0.00 0.00 176.54 176.75 2c3m h ALA 433 N 1.36 0.59 -0.88 3.60 0.00 -0.53 -1.54 119.26 121.86 2c3m h ALA 433 Ca 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2c3m h ALA 433 Cb -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2c3m h ALA 433 CO -0.11 0.41 0.55 -0.91 0.00 0.00 0.00 179.25 179.19 2c3m h ASN 434 N 0.62 1.03 -0.59 0.00 2.35 -0.53 0.11 115.58 118.57 2c3m h ASN 434 Ca 0.12 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 2c3m h ASN 434 Cb 0.54 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2c3m h ASN 434 CO 0.03 0.78 0.03 0.11 -1.65 0.00 0.00 177.43 176.73 2c3m h LYS 435 N 1.20 1.04 -0.44 0.81 1.57 -1.03 -0.88 116.57 118.84 2c3m h LYS 435 Ca 0.32 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2c3m h LYS 435 Cb -0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2c3m h LYS 435 CO -0.06 1.00 -0.14 1.96 -0.57 0.00 0.00 179.45 181.63 2c3m h GLN 436 N 0.96 0.82 -0.48 3.15 1.08 -0.71 -1.87 115.11 118.06 2c3m h GLN 436 Ca 0.18 -0.30 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2c3m h GLN 436 Cb 0.51 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2c3m h GLN 436 CO 0.02 0.92 0.29 0.00 -0.95 0.00 0.00 178.83 179.11 2c3m h ALA 437 N 1.10 0.61 -0.33 3.87 0.00 -0.39 0.11 119.26 124.23 2c3m h ALA 437 Ca 0.12 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2c3m h ALA 437 Cb 0.65 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2c3m h ALA 437 CO 0.05 0.11 0.17 0.82 0.00 0.00 0.00 179.25 180.40 2c3m h ILE 438 N 0.64 1.00 0.32 0.00 2.04 -0.89 -0.18 117.51 120.44 2c3m h ILE 438 Ca 0.17 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2c3m h ILE 438 Cb 0.00 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2c3m h ILE 438 CO -0.03 0.07 -0.15 0.11 0.00 0.00 0.00 178.15 178.14 2c3m h LYS 439 N 0.36 -0.41 0.07 2.37 6.56 -0.93 0.09 116.57 124.67 2c3m h LYS 439 Ca 0.14 0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.78 2c3m h LYS 439 Cb 0.04 0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 31.74 2c3m h LYS 439 CO -0.09 -0.24 -0.35 0.82 -2.06 0.00 0.00 179.45 177.53 2c3m h ILE 440 N -0.47 0.26 -0.49 1.86 2.04 -0.61 0.07 117.51 120.17 2c3m h ILE 440 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2c3m h ILE 440 Cb 0.36 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 2c3m h ILE 440 CO 0.07 0.00 0.27 0.40 0.00 0.00 0.00 178.15 178.89 2c3m h ILE 441 N -0.55 1.17 -0.41 -0.67 2.04 -1.03 -1.88 117.51 116.18 2c3m h ILE 441 Ca 0.04 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 2c3m h ILE 441 Cb 0.60 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2c3m h ILE 441 CO -0.24 0.18 0.03 1.23 0.00 0.00 0.00 178.15 179.35 2c3m h GLY 442 N 0.65 0.70 1.83 5.37 0.00 -0.75 -2.26 103.07 108.61 2c3m h GLY 442 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2c3m h GLY 442 CO -0.03 0.39 -0.15 -0.55 0.00 0.00 0.00 176.54 176.21 2c3m h ASP 443 N 0.62 0.00 -0.16 0.19 3.45 -0.76 -3.34 116.42 116.42 2c3m h ASP 443 Ca 0.13 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2c3m h ASP 443 Cb 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 2c3m h ASP 443 CO 0.01 0.01 0.00 0.59 -1.57 0.00 0.00 179.24 178.28 2c3m n ASN 444 N -2.66 2.60 -3.35 6.45 3.02 -0.73 -5.05 115.26 115.55 2c3m n ASN 444 Ca 0.04 -2.25 -0.14 0.00 -0.03 0.00 0.00 54.58 52.20 2c3m n ASN 444 Cb 0.49 -0.20 -0.05 0.00 -0.61 0.00 0.00 39.78 39.41 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 -1.44 0.00 -2.44 3.41 -4.23 -0.87 -5.03 115.64 105.05 2c3m s THR 445 Ca 0.17 -1.63 0.23 0.00 -1.18 0.00 0.00 61.69 59.28 2c3m s THR 445 Cb 0.12 -2.59 0.43 0.00 1.34 0.00 0.00 72.50 71.79 2c3m s THR 445 CO 0.07 0.00 1.43 0.47 -0.54 0.00 0.00 174.62 176.05 2c3m n ASP 446 N -1.29 3.02 -4.77 3.99 10.43 -1.26 -4.85 116.55 121.82 2c3m n ASP 446 Ca 0.01 -1.93 -0.38 0.00 2.57 0.00 0.00 54.79 55.06 2c3m n ASP 446 Cb 0.62 -0.21 -0.05 0.00 1.84 0.00 0.00 41.12 43.31 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 -1.51 4.39 0.40 0.64 1.43 -1.26 -4.91 118.68 117.86 2c3m s LEU 447 Ca 0.37 2.02 -0.16 0.00 -1.03 0.00 0.00 54.13 55.33 2c3m s LEU 447 Cb 0.21 -3.89 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 2c3m s LEU 447 CO 0.30 -0.16 0.83 -0.36 0.23 0.00 0.00 176.35 177.20 2c3m s PHE 448 N -1.43 3.39 0.01 0.29 0.40 0.05 -4.73 117.98 115.96 2c3m s PHE 448 Ca 0.49 1.31 0.02 0.00 -0.60 0.00 0.00 56.93 58.16 2c3m s PHE 448 Cb -0.24 -2.63 -0.01 0.00 0.51 0.00 0.00 43.02 40.64 2c3m s PHE 448 CO 0.31 -0.07 -0.08 0.00 0.70 0.00 0.00 175.22 176.08 2c3m s ALA 449 N -2.22 0.62 -0.01 5.36 0.00 -1.26 -2.11 121.76 122.14 2c3m s ALA 449 Ca 0.56 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2c3m s ALA 449 Cb -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2c3m s ALA 449 CO 0.22 0.11 -0.06 -1.14 0.00 0.00 0.00 175.76 174.88 2c3m s GLN 450 N -0.57 0.61 -0.01 0.00 0.74 0.60 -2.94 119.66 118.10 2c3m s GLN 450 Ca -0.00 -0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.20 2c3m s GLN 450 Cb -0.05 -0.60 0.00 0.00 1.10 0.00 0.00 33.01 33.47 2c3m s GLN 450 CO 0.00 0.10 -0.03 0.20 -0.55 0.00 0.00 175.29 175.01 2c3m s GLY 451 N 0.07 0.20 -0.11 2.59 0.00 -0.21 -1.07 107.32 108.79 2c3m s GLY 451 Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 44.72 44.54 2c3m s GLY 451 CO -0.00 0.02 0.28 -0.47 0.00 0.00 0.00 173.10 172.93 2c3m s TYR 452 N 0.14 -0.35 -0.06 1.90 5.04 -0.46 -0.19 117.35 123.38 2c3m s TYR 452 Ca -0.01 0.83 0.05 0.00 -2.44 0.00 0.00 57.07 55.50 2c3m s TYR 452 Cb -0.04 0.10 -0.01 0.00 0.35 0.00 0.00 41.96 42.37 2c3m s TYR 452 CO -0.00 -0.21 -0.21 -0.06 -1.34 0.00 0.00 175.55 173.73 2c3m s PHE 453 N 0.75 2.14 -0.18 4.97 0.40 -1.26 -0.54 117.98 124.25 2c3m s PHE 453 Ca -0.05 -0.66 -0.07 0.00 -0.60 0.00 0.00 56.93 55.55 2c3m s PHE 453 Cb -0.06 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 2c3m s PHE 453 CO -0.05 -0.22 0.05 -1.12 0.70 0.00 0.00 175.22 174.58 2c3m s SER 454 N 0.00 5.46 0.00 1.36 0.01 -0.13 -4.99 113.70 115.40 2c3m s SER 454 Ca -0.06 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2c3m s SER 454 Cb -0.13 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.16 2c3m s SER 454 CO 0.04 0.16 0.00 -1.22 0.41 0.00 0.00 173.24 172.62 2c3m n TYR 455 N 3.65 -1.99 -4.37 2.43 4.02 -1.26 -1.35 117.16 118.29 2c3m n TYR 455 Ca -0.17 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.46 2c3m n TYR 455 Cb 0.52 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 -1.00 3.79 0.43 7.72 3.68 -1.20 -4.90 116.67 125.18 2c3m s ASP 456 Ca 0.00 -0.75 0.23 0.00 2.13 0.00 0.00 52.55 54.16 2c3m s ASP 456 Cb 0.00 -0.45 0.56 0.00 -1.45 0.00 0.00 42.92 41.57 2c3m s ASP 456 CO 0.00 0.11 1.68 0.28 0.13 0.00 0.00 175.17 177.37 2c3m h SER 457 N 3.04 0.00 -3.44 -0.34 0.02 -1.95 -3.44 113.55 107.44 2c3m h SER 457 Ca -0.46 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.96 2c3m h SER 457 Cb 1.21 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.78 2c3m h SER 457 CO 0.51 0.14 0.63 -0.54 -1.14 0.00 0.00 176.83 176.43 2c3m s LYS 458 N -3.31 4.41 0.18 3.45 -0.14 -1.26 -4.94 119.74 118.14 2c3m s LYS 458 Ca 0.04 2.02 0.15 0.00 -1.36 0.00 0.00 55.97 56.83 2c3m s LYS 458 Cb 0.07 -3.20 -0.03 0.00 -1.68 0.00 0.00 37.83 32.99 2c3m s LYS 458 CO 0.66 -0.21 1.17 0.87 -0.76 0.00 0.00 175.35 177.08 2c3m h LYS 459 N 5.20 0.00 -5.22 1.68 1.57 -1.80 -3.40 116.57 114.59 2c3m h LYS 459 Ca -0.45 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.84 2c3m h LYS 459 Cb 1.21 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.23 2c3m h LYS 459 CO 0.76 0.43 -0.81 0.45 -0.57 0.00 0.00 179.45 179.70 2c3m s SER 460 N -6.17 1.67 -1.74 0.86 0.15 -1.26 -4.71 113.70 102.50 2c3m s SER 460 Ca 0.01 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2c3m s SER 460 Cb 0.08 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2c3m s SER 460 CO 0.78 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.99 2c3m n GLY 461 N 2.85 0.27 3.84 9.45 0.00 -1.26 -4.96 105.19 115.37 2c3m n GLY 461 Ca -0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.34 1.64 -0.05 -0.02 0.00 -1.26 -4.69 107.32 100.59 2c3m s GLY 462 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.52 2c3m s GLY 462 CO 0.00 0.19 0.12 -0.26 0.00 0.00 0.00 173.10 173.16 2c3m s ILE 463 N -3.20 5.17 -0.01 0.90 -5.25 -1.26 0.83 121.20 118.38 2c3m s ILE 463 Ca 0.58 -0.11 0.06 0.00 -0.99 0.00 0.00 60.65 60.20 2c3m s ILE 463 Cb -0.13 -3.33 -0.02 0.00 2.95 0.00 0.00 42.46 41.94 2c3m s ILE 463 CO 0.54 0.46 -0.19 -0.89 -1.79 0.00 0.00 174.94 173.06 2c3m s THR 464 N -1.15 1.51 -0.17 8.37 2.01 0.52 -3.27 115.64 123.45 2c3m s THR 464 Ca 0.21 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.38 2c3m s THR 464 Cb -0.12 -1.25 0.04 0.00 0.01 0.00 0.00 72.50 71.17 2c3m s THR 464 CO 0.11 0.41 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.72 2c3m s ILE 465 N -0.47 1.45 -0.08 1.82 1.01 -0.45 -0.04 121.20 124.45 2c3m s ILE 465 Ca 0.07 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 2c3m s ILE 465 Cb -0.07 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 2c3m s ILE 465 CO -0.01 0.25 0.25 -0.44 0.00 0.00 0.00 174.94 174.99 2c3m s SER 466 N 1.50 6.55 -0.25 3.58 0.01 0.06 -0.96 113.70 124.20 2c3m s SER 466 Ca 0.01 0.66 0.02 0.00 1.31 0.00 0.00 55.95 57.95 2c3m s SER 466 Cb -0.15 -2.15 0.06 0.00 0.21 0.00 0.00 66.02 63.99 2c3m s SER 466 CO -0.09 0.35 -0.09 -1.00 0.41 0.00 0.00 173.24 172.83 2c3m s HIS 467 N -0.93 2.85 0.07 2.43 3.76 0.29 -1.36 115.29 122.40 2c3m s HIS 467 Ca 0.18 -2.04 0.09 0.00 -0.15 0.00 0.00 55.06 53.15 2c3m s HIS 467 Cb -0.14 -1.77 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 2c3m s HIS 467 CO 0.08 -0.83 -0.25 -0.51 -0.85 0.00 0.00 174.74 172.37 2c3m s LEU 468 N 1.24 2.27 0.00 0.89 1.43 -0.05 -1.35 118.68 123.11 2c3m s LEU 468 Ca -0.07 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2c3m s LEU 468 Cb -0.19 -1.30 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 2c3m s LEU 468 CO -0.06 0.24 -0.03 -0.13 0.23 0.00 0.00 176.35 176.60 2c3m s ARG 469 N -1.50 0.26 -0.01 1.70 0.52 -0.23 -0.03 118.95 119.67 2c3m s ARG 469 Ca 0.13 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.17 2c3m s ARG 469 Cb -0.10 -0.21 -0.00 0.00 0.52 0.00 0.00 34.95 35.16 2c3m s ARG 469 CO 0.04 0.05 -0.05 -0.06 0.02 0.00 0.00 175.30 175.30 2c3m s PHE 470 N -0.24 0.45 0.21 -0.53 0.40 -0.36 -0.29 117.98 117.62 2c3m s PHE 470 Ca -0.01 -0.08 -0.23 0.00 -0.60 0.00 0.00 56.93 56.01 2c3m s PHE 470 Cb -0.02 -0.30 0.04 0.00 0.51 0.00 0.00 43.02 43.25 2c3m s PHE 470 CO -0.00 -0.02 0.75 0.20 0.70 0.00 0.00 175.22 176.85 2c3m s GLY 471 N -0.01 -0.25 0.25 4.36 0.00 -0.90 0.37 107.32 111.13 2c3m s GLY 471 Ca 0.01 0.03 0.18 0.00 0.00 0.00 0.00 44.72 44.93 2c3m s GLY 471 CO -0.00 0.01 1.28 0.83 0.00 0.00 0.00 173.10 175.22 2c3m h GLU 472 N 2.00 0.00 -6.16 2.90 5.08 -1.83 0.17 114.58 116.74 2c3m h GLU 472 Ca -0.23 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.53 2c3m h GLU 472 Cb 1.26 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 2c3m h GLU 472 CO 0.27 0.29 -0.56 0.15 -1.00 0.00 0.00 179.01 178.16 2c3m s LYS 473 N -3.06 2.98 0.41 2.33 -0.14 -1.26 -4.79 119.74 116.21 2c3m s LYS 473 Ca 0.02 -0.77 -0.25 0.00 -1.36 0.00 0.00 55.97 53.62 2c3m s LYS 473 Cb 0.08 -2.72 -0.11 0.00 -1.68 0.00 0.00 37.83 33.39 2c3m s LYS 473 CO 0.75 0.52 0.99 -2.30 -0.76 0.00 0.00 175.35 174.55 2c3m n PRO 474 N -0.09 1.31 -3.35 -1.68 -0.02 -1.26 -4.74 135.00 125.18 2c3m n PRO 474 Ca -0.08 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.43 2c3m n PRO 474 Cb 0.53 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.26 5.13 -0.87 4.25 1.01 -1.26 -4.90 121.20 123.30 2c3m s ILE 475 Ca 0.63 -0.58 0.15 0.00 0.00 0.00 0.00 60.65 60.85 2c3m s ILE 475 Cb -0.57 -4.06 0.50 0.00 0.01 0.00 0.00 42.46 38.34 2c3m s ILE 475 CO 0.57 -0.47 1.42 0.00 0.00 0.00 0.00 174.94 176.46 2c3m n GLN 476 N 5.49 3.13 -2.33 2.79 6.02 -1.26 -4.89 117.38 126.34 2c3m n GLN 476 Ca -0.09 -2.53 -0.42 0.00 -0.01 0.00 0.00 57.00 53.95 2c3m n GLN 476 Cb 0.46 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 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 0.52 4.51 -3.43 1.08 7.64 -1.26 -2.95 113.62 119.73 2c3m n SER 477 Ca 0.19 -2.88 -0.40 0.00 1.01 0.00 0.00 58.87 56.79 2c3m n SER 477 Cb 0.69 -1.71 -0.02 0.00 -1.01 0.00 0.00 64.21 62.16 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 6.24 4.41 -3.45 0.44 -2.24 -1.26 -4.78 114.28 113.65 2c3m n THR 478 Ca 0.49 -3.10 -0.12 0.00 -2.27 0.00 0.00 64.05 59.06 2c3m n THR 478 Cb 0.44 -2.49 -0.02 0.00 -2.10 0.00 0.00 70.33 66.16 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 1.50 -0.50 0.81 4.78 -0.85 -1.26 -4.78 117.35 117.05 2c3m s TYR 479 Ca 0.62 0.37 -0.12 0.00 -0.52 0.00 0.00 57.07 57.42 2c3m s TYR 479 Cb 0.17 0.54 0.08 0.00 0.38 0.00 0.00 41.96 43.14 2c3m s TYR 479 CO -0.07 -0.74 1.15 -0.51 -1.52 0.00 0.00 175.55 173.86 2c3m s LEU 480 N -2.52 3.07 0.08 -3.49 1.43 -1.26 -4.95 118.68 111.04 2c3m s LEU 480 Ca 0.01 2.14 -0.31 0.00 -1.03 0.00 0.00 54.13 54.95 2c3m s LEU 480 Cb -0.01 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.59 2c3m s LEU 480 CO -0.10 -2.51 1.25 -0.69 0.23 0.00 0.00 176.35 174.53 2c3m s VAL 481 N -2.49 3.84 -0.02 -1.59 1.01 -1.26 -4.90 120.40 114.99 2c3m s VAL 481 Ca 0.68 1.32 0.03 0.00 0.00 0.00 0.00 61.98 64.01 2c3m s VAL 481 Cb -0.23 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2c3m s VAL 481 CO 0.52 0.10 0.07 -0.46 0.00 0.00 0.00 175.10 175.34 2c3m n ASN 482 N 3.90 3.95 -3.62 3.32 0.23 -1.26 -4.86 115.26 116.92 2c3m n ASN 482 Ca 0.09 -0.05 -0.29 0.00 -0.53 0.00 0.00 54.58 53.80 2c3m n ASN 482 Cb 0.45 1.12 -0.12 0.00 -2.08 0.00 0.00 39.78 39.15 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 -2.12 1.10 0.28 -3.83 0.52 -1.26 -4.24 118.95 109.40 2c3m s ARG 483 Ca -0.01 -1.88 -0.14 0.00 -0.52 0.00 0.00 55.73 53.17 2c3m s ARG 483 Cb 0.02 -2.01 -0.08 0.00 0.52 0.00 0.00 34.95 33.40 2c3m s ARG 483 CO 0.12 -1.20 0.69 0.00 0.02 0.00 0.00 175.30 174.93 2c3m s ALA 484 N 0.45 3.39 -0.10 2.13 0.00 -1.25 -4.76 121.76 121.62 2c3m s ALA 484 Ca 0.19 -0.01 0.16 0.00 0.00 0.00 0.00 51.96 52.30 2c3m s ALA 484 Cb -0.20 -2.70 -0.19 0.00 0.00 0.00 0.00 23.12 20.03 2c3m s ALA 484 CO -0.02 0.37 0.67 -0.25 0.00 0.00 0.00 175.76 176.53 2c3m n ASP 485 N -0.13 0.74 -3.89 0.00 9.92 0.24 -1.74 116.55 121.68 2c3m n ASP 485 Ca 0.02 0.34 -0.22 0.00 -0.53 0.00 0.00 54.79 54.39 2c3m n ASP 485 Cb 0.53 0.24 -0.17 0.00 -0.64 0.00 0.00 41.12 41.08 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 -2.78 0.92 -0.08 1.24 5.04 -1.01 -0.68 117.35 120.01 2c3m s TYR 486 Ca -0.05 -0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 2c3m s TYR 486 Cb 0.08 -0.81 0.02 0.00 0.35 0.00 0.00 41.96 41.60 2c3m s TYR 486 CO 0.82 -0.26 -0.06 0.08 -1.34 0.00 0.00 175.55 174.78 2c3m s VAL 487 N 1.15 0.82 -0.05 3.14 1.01 -0.04 -1.14 120.40 125.29 2c3m s VAL 487 Ca -0.07 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.76 2c3m s VAL 487 Cb -0.14 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 2c3m s VAL 487 CO -0.01 0.32 -0.24 0.00 0.00 0.00 0.00 175.10 175.16 2c3m s ALA 488 N 1.38 2.08 -0.32 5.51 0.00 -0.18 -0.66 121.76 129.57 2c3m s ALA 488 Ca -0.02 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.93 2c3m s ALA 488 Cb -0.14 -0.62 0.08 0.00 0.00 0.00 0.00 23.12 22.45 2c3m s ALA 488 CO -0.04 0.43 0.03 0.00 0.00 0.00 0.00 175.76 176.18 2c3m n HIS 490 N 4.40 0.03 -3.73 0.00 8.25 0.12 -1.27 115.22 123.02 2c3m n HIS 490 Ca -0.04 -0.01 -0.26 0.00 -0.26 0.00 0.00 57.72 57.14 2c3m n HIS 490 Cb 0.42 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.85 2.55 0.55 0.41 3.04 -1.26 -4.80 114.94 113.59 2c3m s ASN 491 Ca 0.39 -0.64 0.23 0.00 0.04 0.00 0.00 52.86 52.89 2c3m s ASN 491 Cb 0.19 -0.52 1.48 0.00 -1.54 0.00 0.00 41.25 40.86 2c3m s ASN 491 CO 0.31 -0.29 2.12 1.55 -3.04 0.00 0.00 177.10 177.75 2c3m h PRO 492 N 8.28 0.00 0.00 0.43 0.13 -1.81 -2.28 132.00 136.75 2c3m h PRO 492 Ca -0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2c3m h PRO 492 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2c3m h PRO 492 CO 0.31 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.08 2c3m h ALA 493 N 1.88 1.61 0.00 -0.56 0.00 -1.95 -2.28 119.26 117.96 2c3m h ALA 493 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2c3m h ALA 493 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2c3m h ALA 493 CO -0.00 0.01 -0.38 1.88 0.00 0.00 0.00 179.25 180.76 2c3m h TYR 494 N 0.00 0.00 -1.12 0.00 0.99 -1.82 -3.31 116.97 111.71 2c3m h TYR 494 Ca -0.00 0.00 0.38 0.00 2.00 0.00 0.00 58.73 61.11 2c3m h TYR 494 Cb 0.02 0.00 -0.14 0.00 1.00 0.00 0.00 36.73 37.61 2c3m h TYR 494 CO 0.00 0.38 0.68 0.28 -0.00 0.00 0.00 178.16 179.50 2c3m h VAL 495 N 0.00 0.19 -0.01 -2.88 2.07 -1.58 -1.39 116.25 112.65 2c3m h VAL 495 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2c3m h VAL 495 Cb 0.79 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2c3m h VAL 495 CO 0.05 0.03 -0.52 0.61 0.02 0.00 0.00 177.57 177.76 2c3m n GLY 496 N -1.39 -0.17 0.03 2.17 0.00 -1.24 -4.62 105.19 99.97 2c3m n GLY 496 Ca 0.34 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.38 0.40 -4.62 -0.61 -5.35 -0.60 -5.03 119.36 103.17 2c3m n ILE 497 Ca 0.07 -0.33 -0.30 0.00 -0.27 0.00 0.00 62.75 61.92 2c3m n ILE 497 Cb 0.39 -0.36 -0.14 0.00 -1.74 0.00 0.00 39.64 37.79 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 -2.41 2.32 -1.38 4.28 1.51 -0.76 -4.92 117.35 116.00 2c3m s TYR 498 Ca -0.04 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.48 2c3m s TYR 498 Cb 0.04 -1.31 0.07 0.00 -0.11 0.00 0.00 41.96 40.65 2c3m s TYR 498 CO 0.40 0.25 2.01 -3.47 -1.11 0.00 0.00 175.55 173.63 2c3m n ASP 499 N 1.29 4.38 0.23 2.29 2.03 -1.26 -4.77 116.55 120.74 2c3m n ASP 499 Ca -0.17 -2.90 0.08 0.00 0.52 0.00 0.00 54.79 52.31 2c3m n ASP 499 Cb 0.52 -1.66 0.56 0.00 -0.72 0.00 0.00 41.12 39.83 2c3m n ASP 499 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2c3m h ILE 500 N 4.41 0.94 -0.51 5.18 3.07 -1.92 -3.03 117.51 125.65 2c3m h ILE 500 Ca 0.50 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 66.22 2c3m h ILE 500 Cb 0.71 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 2c3m h ILE 500 CO 1.71 0.19 0.00 0.18 -1.05 0.00 0.00 178.15 179.17 2c3m n LEU 501 N -4.03 2.99 -4.69 0.16 4.77 -1.26 -4.95 117.00 110.00 2c3m n LEU 501 Ca -0.02 -1.45 -0.53 0.00 -0.03 0.00 0.00 56.01 53.99 2c3m n LEU 501 Cb 0.27 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 2c3m n LEU 501 CO 0.34 0.72 1.35 1.21 -1.33 0.00 0.00 177.39 179.69 2c3m n GLU 502 N 1.14 1.62 -0.67 3.23 2.13 -1.15 -1.51 120.64 125.44 2c3m n GLU 502 Ca 0.19 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.60 2c3m n GLU 502 Cb 0.49 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.85 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 4.09 1.17 3.67 8.31 0.00 -1.26 -4.79 105.19 116.39 2c3m n GLY 503 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 1.78 -2.42 -0.61 3.06 -0.57 -3.88 119.36 114.73 2c3m n ILE 504 Ca 0.00 -0.45 -0.36 0.00 -2.50 0.00 0.00 62.75 59.45 2c3m n ILE 504 Cb 0.00 -1.44 -0.02 0.00 0.54 0.00 0.00 39.64 38.72 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 -1.51 3.82 0.25 9.51 1.02 -0.71 -4.89 119.74 127.23 2c3m s LYS 505 Ca 0.59 1.56 -0.31 0.00 0.02 0.00 0.00 55.97 57.83 2c3m s LYS 505 Cb -0.61 -2.29 -0.13 0.00 -0.52 0.00 0.00 37.83 34.28 2c3m s LYS 505 CO 0.59 -0.45 1.53 -0.25 -0.92 0.00 0.00 175.35 175.85 2c3m n ASP 506 N -0.63 3.35 0.00 2.83 10.43 -1.26 0.03 116.55 131.29 2c3m n ASP 506 Ca 0.08 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.57 2c3m n ASP 506 Cb 0.50 -1.51 0.00 0.00 1.84 0.00 0.00 41.12 41.95 2c3m n ASP 506 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2c3m n GLY 507 N 2.44 0.93 3.54 0.44 0.00 0.10 -5.01 105.19 107.64 2c3m n GLY 507 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.98 1.57 -0.18 -0.02 0.00 0.10 -4.32 107.32 102.48 2c3m s GLY 508 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.59 2c3m s GLY 508 CO 0.00 0.61 0.06 -1.59 0.00 0.00 0.00 173.10 172.17 2c3m s THR 509 N -2.55 4.74 -0.23 0.90 2.01 0.15 -1.03 115.64 119.62 2c3m s THR 509 Ca 0.68 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.64 2c3m s THR 509 Cb -0.24 -3.14 0.05 0.00 0.01 0.00 0.00 72.50 69.19 2c3m s THR 509 CO 0.63 0.46 -0.09 0.12 -0.69 0.00 0.00 174.62 175.05 2c3m s PHE 510 N 0.41 2.64 -0.17 4.92 5.36 -0.80 -0.86 117.98 129.48 2c3m s PHE 510 Ca 0.03 -1.86 -0.07 0.00 -0.96 0.00 0.00 56.93 54.07 2c3m s PHE 510 Cb -0.13 -1.70 -0.04 0.00 -0.34 0.00 0.00 43.02 40.82 2c3m s PHE 510 CO 0.00 -0.79 0.06 0.08 -1.46 0.00 0.00 175.22 173.11 2c3m s VAL 511 N 1.31 4.77 -0.04 3.12 1.01 0.17 -0.82 120.40 129.92 2c3m s VAL 511 Ca -0.05 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.93 2c3m s VAL 511 Cb -0.18 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 2c3m s VAL 511 CO -0.07 0.48 -0.19 -0.22 0.00 0.00 0.00 175.10 175.11 2c3m s LEU 512 N 0.21 1.97 -0.43 3.92 2.96 0.42 -0.60 118.68 127.13 2c3m s LEU 512 Ca 0.04 -0.37 -0.17 0.00 -0.22 0.00 0.00 54.13 53.41 2c3m s LEU 512 Cb -0.12 -1.03 0.03 0.00 0.50 0.00 0.00 46.19 45.56 2c3m s LEU 512 CO 0.00 0.19 0.40 0.21 -1.32 0.00 0.00 176.35 175.84 2c3m s ASN 513 N -0.13 6.17 0.06 3.68 3.04 -0.39 -1.08 114.94 126.29 2c3m s ASN 513 Ca -0.01 -0.80 -0.26 0.00 0.04 0.00 0.00 52.86 51.83 2c3m s ASN 513 Cb -0.11 -2.21 0.09 0.00 -1.54 0.00 0.00 41.25 37.48 2c3m s ASN 513 CO 0.02 -0.56 0.75 -0.94 -3.04 0.00 0.00 177.10 173.32 2c3m s SER 514 N 1.88 -0.48 -0.05 -4.21 1.04 -1.01 -3.15 113.70 107.72 2c3m s SER 514 Ca 0.10 0.06 0.12 0.00 0.48 0.00 0.00 55.95 56.70 2c3m s SER 514 Cb -0.18 0.49 0.45 0.00 0.10 0.00 0.00 66.02 66.87 2c3m s SER 514 CO 0.12 -0.77 1.32 -0.81 0.98 0.00 0.00 173.24 174.08 2c3m n PRO 515 N -0.20 2.57 -2.31 4.02 -0.04 -1.26 -3.21 135.00 134.56 2c3m n PRO 515 Ca -0.13 -1.78 -0.42 0.00 -0.04 0.00 0.00 63.50 61.13 2c3m n PRO 515 Cb 0.63 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.69 2.79 -0.00 0.54 8.01 -1.26 -4.75 117.44 123.47 2c3m n TRP 516 Ca 0.16 -2.77 -0.13 0.00 -1.31 0.00 0.00 57.50 53.45 2c3m n TRP 516 Cb 0.56 -1.86 -0.10 0.00 -2.01 0.00 0.00 31.31 27.89 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 5.47 -0.04 -4.21 -0.99 0.02 -1.95 -3.37 113.55 108.48 2c3m h SER 517 Ca 0.44 -0.50 -0.53 0.00 -0.84 0.00 0.00 61.79 60.36 2c3m h SER 517 Cb 0.56 0.01 0.18 0.00 0.14 0.00 0.00 62.40 63.29 2c3m h SER 517 CO 1.58 0.49 0.34 -0.94 -1.14 0.00 0.00 176.83 177.16 2c3m s SER 518 N -5.68 3.64 0.39 3.07 1.04 -1.26 -4.85 113.70 110.06 2c3m s SER 518 Ca -0.16 2.35 0.20 0.00 0.48 0.00 0.00 55.95 58.82 2c3m s SER 518 Cb 0.01 -2.59 0.76 0.00 0.10 0.00 0.00 66.02 64.30 2c3m s SER 518 CO 0.64 -2.63 1.77 0.25 0.98 0.00 0.00 173.24 174.25 2c3m h LEU 519 N -0.88 0.00 -0.09 2.42 5.85 -1.97 -1.99 115.31 118.65 2c3m h LEU 519 Ca -0.46 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.08 2c3m h LEU 519 Cb 1.29 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.33 2c3m h LEU 519 CO 0.46 0.33 -0.63 1.05 -0.34 0.00 0.00 178.44 179.31 2c3m h GLU 520 N 0.00 0.59 -0.40 1.25 4.11 -1.96 -2.44 114.58 115.72 2c3m h GLU 520 Ca -0.00 -0.51 -0.05 0.00 0.07 0.00 0.00 59.36 58.86 2c3m h GLU 520 Cb 0.84 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2c3m h GLU 520 CO 0.04 1.13 0.04 -0.44 0.07 0.00 0.00 179.01 179.86 2c3m h ASP 521 N 0.21 0.66 -0.28 3.06 3.32 -1.87 -1.81 116.42 119.70 2c3m h ASP 521 Ca -0.05 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.73 2c3m h ASP 521 Cb 1.28 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 2c3m h ASP 521 CO 0.13 0.77 0.15 -0.03 -1.72 0.00 0.00 179.24 178.54 2c3m h MET 522 N 0.52 0.31 0.00 3.56 4.05 -1.41 -0.67 114.93 121.30 2c3m h MET 522 Ca 0.12 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 2c3m h MET 522 Cb 0.41 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.13 2c3m h MET 522 CO 0.01 0.21 -0.11 -0.44 0.23 0.00 0.00 176.91 176.81 2c3m h ASP 523 N 0.32 0.00 0.02 1.39 3.45 -1.34 0.58 116.42 120.84 2c3m h ASP 523 Ca 0.11 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.49 2c3m h ASP 523 Cb 0.02 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.79 2c3m h ASP 523 CO -0.07 0.11 -0.34 0.50 -1.57 0.00 0.00 179.24 177.87 2c3m h LYS 524 N 0.00 0.19 0.03 3.56 3.64 -0.33 -3.39 116.57 120.27 2c3m h LYS 524 Ca -0.00 -0.24 -0.33 0.00 -1.27 0.00 0.00 60.65 58.82 2c3m h LYS 524 Cb 0.29 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 2c3m h LYS 524 CO 0.01 1.01 -1.92 0.72 -2.27 0.00 0.00 179.45 177.00 2c3m n HIS 525 N -4.43 0.88 -2.38 1.91 8.25 -0.38 -4.87 115.22 114.21 2c3m n HIS 525 Ca -0.11 0.27 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 2c3m n HIS 525 Cb 0.57 -1.15 -0.02 0.00 1.12 0.00 0.00 29.99 30.51 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 -6.29 4.10 0.68 2.41 2.96 0.19 -4.90 118.68 117.83 2c3m s LEU 526 Ca -0.12 1.61 -0.17 0.00 -0.22 0.00 0.00 54.13 55.24 2c3m s LEU 526 Cb 0.07 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.22 2c3m s LEU 526 CO 0.80 -0.87 1.07 -2.65 -1.32 0.00 0.00 176.35 173.37 2c3m n PRO 527 N 6.87 0.72 -0.21 0.98 -0.02 -1.26 -4.78 135.00 137.29 2c3m n PRO 527 Ca 0.15 0.30 0.01 0.00 -2.02 0.00 0.00 63.50 61.94 2c3m n PRO 527 Cb 0.45 -2.31 0.26 0.00 -0.02 0.00 0.00 33.50 31.88 2c3m n PRO 527 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2c3m h SER 528 N 0.05 0.84 -0.74 2.55 4.64 -1.92 -2.16 113.55 116.81 2c3m h SER 528 Ca -0.48 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 60.86 2c3m h SER 528 Cb 1.34 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 2c3m h SER 528 CO 0.49 0.61 0.45 1.23 -0.87 0.00 0.00 176.83 178.74 2c3m h GLY 529 N 0.99 1.09 1.12 -0.77 0.00 -1.91 -0.28 103.07 103.31 2c3m h GLY 529 Ca 0.27 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 2c3m h GLY 529 CO -0.06 0.24 -0.38 -2.22 0.00 0.00 0.00 176.54 174.12 2c3m h ILE 530 N 0.85 1.27 0.09 2.60 1.08 -1.82 -2.39 117.51 119.19 2c3m h ILE 530 Ca 0.31 -1.55 0.01 0.00 -0.39 0.00 0.00 64.86 63.24 2c3m h ILE 530 Cb 0.11 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 2c3m h ILE 530 CO -0.15 0.52 -0.14 0.11 -0.69 0.00 0.00 178.15 177.80 2c3m h LYS 531 N 0.75 -0.27 -0.50 2.37 1.57 -0.78 -0.26 116.57 119.46 2c3m h LYS 531 Ca 0.06 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2c3m h LYS 531 Cb 0.97 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 2c3m h LYS 531 CO 0.09 -0.18 0.28 0.00 -0.57 0.00 0.00 179.45 179.08 2c3m h ARG 532 N -0.28 0.54 -0.01 3.15 3.08 -1.00 0.52 114.38 120.38 2c3m h ARG 532 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2c3m h ARG 532 Cb 0.29 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2c3m h ARG 532 CO -0.07 0.36 -0.01 1.15 -1.07 0.00 0.00 179.97 180.33 2c3m h THR 533 N 0.56 0.98 -0.61 2.04 2.02 -1.19 0.61 112.91 117.32 2c3m h THR 533 Ca 0.20 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.42 2c3m h THR 533 Cb 0.05 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2c3m h THR 533 CO -0.11 0.00 0.36 0.40 0.37 0.00 0.00 175.52 176.54 2c3m h ILE 534 N -0.00 1.04 0.41 3.11 2.04 -0.75 -0.84 117.51 122.52 2c3m h ILE 534 Ca 0.01 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2c3m h ILE 534 Cb 0.01 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2c3m h ILE 534 CO -0.02 0.13 -0.20 0.00 0.00 0.00 0.00 178.15 178.07 2c3m h ALA 535 N 1.28 -0.55 -0.40 1.87 0.00 -0.48 -0.91 119.26 120.06 2c3m h ALA 535 Ca 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2c3m h ALA 535 Cb 0.07 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2c3m h ALA 535 CO -0.12 -0.60 0.27 -0.91 0.00 0.00 0.00 179.25 177.89 2c3m h ASN 536 N -0.98 0.43 -0.30 0.00 4.21 0.25 -1.82 115.58 117.36 2c3m h ASN 536 Ca -0.06 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.44 2c3m h ASN 536 Cb 0.55 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 2c3m h ASN 536 CO 0.09 0.30 0.00 0.29 -1.29 0.00 0.00 177.43 176.83 2c3m n LYS 537 N -4.48 2.03 -3.88 0.81 5.02 -0.33 -4.95 118.16 112.38 2c3m n LYS 537 Ca 0.03 -1.56 -0.29 0.00 -2.02 0.00 0.00 58.31 54.48 2c3m n LYS 537 Cb 0.09 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 0.77 -2.44 -2.81 1.97 4.01 -0.69 0.02 118.16 118.99 2c3m n LYS 538 Ca 0.17 0.39 -0.40 0.00 -0.51 0.00 0.00 58.31 57.97 2c3m n LYS 538 Cb 0.42 -4.26 -0.06 0.00 -0.51 0.00 0.00 35.03 30.62 2c3m n LYS 538 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2c3m s LEU 539 N -6.86 4.60 -0.98 -0.35 1.43 -0.38 -3.47 118.68 112.67 2c3m s LEU 539 Ca 0.18 1.86 -0.24 0.00 -1.03 0.00 0.00 54.13 54.90 2c3m s LEU 539 Cb -0.07 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.61 2c3m s LEU 539 CO 0.89 0.15 1.51 -0.54 0.23 0.00 0.00 176.35 178.58 2c3m s LYS 540 N -1.27 3.42 -0.12 1.70 1.02 -0.20 -4.93 119.74 119.36 2c3m s LYS 540 Ca 0.41 -0.93 -0.25 0.00 0.02 0.00 0.00 55.97 55.21 2c3m s LYS 540 Cb -0.24 -5.23 -0.02 0.00 -0.52 0.00 0.00 37.83 31.81 2c3m s LYS 540 CO 0.30 -2.36 0.79 0.12 -0.92 0.00 0.00 175.35 173.28 2c3m s PHE 541 N 5.72 3.49 -0.06 3.18 5.36 -1.26 -1.91 117.98 132.50 2c3m s PHE 541 Ca 0.48 1.27 0.04 0.00 -0.96 0.00 0.00 56.93 57.76 2c3m s PHE 541 Cb -0.02 -2.94 0.00 0.00 -0.34 0.00 0.00 43.02 39.72 2c3m s PHE 541 CO -0.07 -0.11 -0.18 0.71 -1.46 0.00 0.00 175.22 174.11 2c3m s TYR 542 N 1.62 1.86 -0.05 10.12 1.51 -0.00 0.20 117.35 132.61 2c3m s TYR 542 Ca 0.38 -0.64 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 2c3m s TYR 542 Cb -0.17 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.39 2c3m s TYR 542 CO 0.15 -0.26 -0.24 1.21 -1.11 0.00 0.00 175.55 175.31 2c3m s ASN 543 N 0.30 2.90 -0.03 2.29 2.47 -1.26 -0.44 114.94 121.16 2c3m s ASN 543 Ca -0.11 -0.48 -0.01 0.00 0.42 0.00 0.00 52.86 52.68 2c3m s ASN 543 Cb -0.14 -0.74 0.03 0.00 -1.45 0.00 0.00 41.25 38.94 2c3m s ASN 543 CO 0.04 0.24 0.06 -0.51 -3.72 0.00 0.00 177.10 173.21 2c3m s ILE 544 N -0.18 -0.08 -1.40 -5.21 2.07 -0.24 -4.79 121.20 111.38 2c3m s ILE 544 Ca -0.02 0.27 -0.15 0.00 -1.41 0.00 0.00 60.65 59.34 2c3m s ILE 544 Cb -0.13 -0.13 0.06 0.00 0.13 0.00 0.00 42.46 42.39 2c3m s ILE 544 CO 0.03 0.11 2.05 -0.67 -1.91 0.00 0.00 174.94 174.55 2c3m n ASP 545 N 4.49 4.28 -0.29 4.50 -0.08 -1.20 -2.40 116.55 125.85 2c3m n ASP 545 Ca -0.21 -2.88 0.09 0.00 -1.51 0.00 0.00 54.79 50.28 2c3m n ASP 545 Cb 0.50 -1.67 0.25 0.00 2.34 0.00 0.00 41.12 42.54 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 6.46 1.29 -0.84 -1.67 0.00 -1.92 -1.13 119.26 121.45 2c3m h ALA 546 Ca 0.52 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 2c3m h ALA 546 Cb 0.71 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2c3m h ALA 546 CO 1.74 -0.24 0.47 0.28 0.00 0.00 0.00 179.25 181.50 2c3m h VAL 547 N 0.47 1.24 -0.27 0.00 2.07 -1.85 -0.88 116.25 117.02 2c3m h VAL 547 Ca 0.49 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2c3m h VAL 547 Cb 0.83 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2c3m h VAL 547 CO -0.45 0.27 0.03 0.50 0.02 0.00 0.00 177.57 177.93 2c3m h LYS 548 N 1.16 0.47 -0.15 1.57 3.64 -1.59 -1.98 116.57 119.70 2c3m h LYS 548 Ca 0.30 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2c3m h LYS 548 Cb 0.01 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2c3m h LYS 548 CO -0.05 0.60 0.07 0.82 -2.27 0.00 0.00 179.45 178.62 2c3m h ILE 549 N 0.27 1.14 -0.80 2.00 2.04 -1.22 -0.74 117.51 120.20 2c3m h ILE 549 Ca 0.08 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.61 2c3m h ILE 549 Cb 0.37 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 2c3m h ILE 549 CO 0.01 0.13 0.48 0.00 0.00 0.00 0.00 178.15 178.77 2c3m h ALA 550 N 0.92 1.10 -0.50 1.87 0.00 -1.16 -1.02 119.26 120.48 2c3m h ALA 550 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2c3m h ALA 550 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2c3m h ALA 550 CO -0.01 0.19 -0.08 1.15 0.00 0.00 0.00 179.25 180.51 2c3m h THR 551 N 0.87 1.27 -0.53 0.00 2.02 -1.13 0.56 112.91 115.97 2c3m h THR 551 Ca 0.36 -1.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 2c3m h THR 551 Cb 0.20 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2c3m h THR 551 CO -0.19 0.42 0.08 0.44 0.37 0.00 0.00 175.52 176.65 2c3m h ASP 552 N 0.80 0.78 0.24 4.18 3.32 -0.33 -2.17 116.42 123.25 2c3m h ASP 552 Ca 0.13 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2c3m h ASP 552 Cb 0.63 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2c3m h ASP 552 CO 0.04 0.80 -0.06 1.33 -1.72 0.00 0.00 179.24 179.63 2c3m n VAL 553 N -4.25 0.00 -0.33 -1.35 0.24 -0.46 -4.90 118.33 107.27 2c3m n VAL 553 Ca 0.03 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2c3m n VAL 553 Cb 0.26 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 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 1.20 0.73 0.89 7.63 0.00 -0.81 -4.72 105.19 110.11 2c3m n GLY 554 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 2.51 -3.71 0.99 4.77 0.19 -4.85 117.00 116.90 2c3m n LEU 555 Ca 0.00 -1.26 -0.27 0.00 -0.03 0.00 0.00 56.01 54.44 2c3m n LEU 555 Cb 0.00 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2c3m n LEU 555 CO 0.00 0.44 -0.07 0.61 -1.33 0.00 0.00 177.39 177.04 2c3m n GLY 556 N 0.28 -0.45 2.80 -0.72 0.00 -1.22 -0.77 105.19 105.11 2c3m n GLY 556 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.02 0.72 3.67 -0.02 0.00 -1.25 -4.84 105.19 102.46 2c3m n GLY 557 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2c3m n GLY 557 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2c3m s ARG 558 N -0.18 4.27 0.02 1.61 3.52 0.05 -4.62 118.95 123.62 2c3m s ARG 558 Ca 0.00 1.77 0.25 0.00 -0.13 0.00 0.00 55.73 57.62 2c3m s ARG 558 Cb 0.00 -3.70 0.45 0.00 -1.56 0.00 0.00 34.95 30.14 2c3m s ARG 558 CO 0.00 -0.63 1.38 0.44 -0.81 0.00 0.00 175.30 175.68 2c3m n ILE 559 N 5.07 0.06 -0.26 4.11 -5.35 -1.26 -4.57 119.36 117.15 2c3m n ILE 559 Ca 0.13 -0.05 0.07 0.00 -0.27 0.00 0.00 62.75 62.63 2c3m n ILE 559 Cb 0.45 0.20 0.19 0.00 -1.74 0.00 0.00 39.64 38.74 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 -0.10 -0.04 7.28 7.08 -1.92 -0.83 115.58 127.05 2c3m h ASN 560 Ca 0.00 0.17 -0.11 0.00 -3.08 0.00 0.00 56.30 53.28 2c3m h ASN 560 Cb 0.55 0.25 -0.01 0.00 -2.08 0.00 0.00 38.32 37.02 2c3m h ASN 560 CO 0.00 -0.10 -0.32 -0.03 -2.08 0.00 0.00 177.43 174.90 2c3m h MET 561 N 0.21 0.51 -0.03 4.14 4.05 -1.93 -2.07 114.93 119.80 2c3m h MET 561 Ca 0.43 -0.22 -0.01 0.00 -0.28 0.00 0.00 59.70 59.63 2c3m h MET 561 Cb 0.77 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 2c3m h MET 561 CO -0.58 0.77 -0.00 0.82 0.23 0.00 0.00 176.91 178.15 2c3m h ILE 562 N 0.44 1.28 0.00 1.77 5.03 -1.49 -2.20 117.51 122.34 2c3m h ILE 562 Ca 0.05 -0.84 -0.01 0.00 -0.12 0.00 0.00 64.86 63.94 2c3m h ILE 562 Cb 0.78 1.79 -0.00 0.00 -3.03 0.00 0.00 36.82 36.36 2c3m h ILE 562 CO 0.06 0.22 -0.05 0.24 -0.68 0.00 0.00 178.15 177.95 2c3m h MET 563 N -0.29 0.00 -0.27 2.37 2.86 -1.29 -1.91 114.93 116.41 2c3m h MET 563 Ca 0.01 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.46 2c3m h MET 563 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2c3m h MET 563 CO 0.00 0.05 -0.56 0.37 1.06 0.00 0.00 176.91 177.83 2c3m h GLN 564 N 0.00 0.84 -0.49 1.72 5.75 -1.18 -2.73 115.11 119.02 2c3m h GLN 564 Ca -0.00 -0.54 -0.05 0.00 -0.15 0.00 0.00 58.65 57.91 2c3m h GLN 564 Cb 0.48 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 2c3m h GLN 564 CO 0.01 1.17 0.11 1.15 -2.65 0.00 0.00 178.83 178.62 2c3m h THR 565 N 0.64 1.24 -0.58 2.39 2.02 -0.72 -2.09 112.91 115.80 2c3m h THR 565 Ca 0.01 -0.86 0.07 0.00 0.77 0.00 0.00 66.41 66.40 2c3m h THR 565 Cb 1.17 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.37 2c3m h THR 565 CO 0.12 0.31 0.26 0.00 0.37 0.00 0.00 175.52 176.58 2c3m h ALA 566 N 0.98 0.76 -0.02 6.16 0.00 -1.35 -0.27 119.26 125.53 2c3m h ALA 566 Ca 0.15 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2c3m h ALA 566 Cb 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2c3m h ALA 566 CO 0.00 -0.12 0.01 0.35 0.00 0.00 0.00 179.25 179.49 2c3m h PHE 567 N 0.49 0.02 0.00 0.00 3.57 -1.27 0.18 116.94 119.93 2c3m h PHE 567 Ca 0.28 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 2c3m h PHE 567 Cb 0.26 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2c3m h PHE 567 CO -0.13 0.17 -0.11 0.74 -2.23 0.00 0.00 178.31 176.75 2c3m h PHE 568 N -0.13 0.00 0.07 0.41 0.04 -0.98 0.03 116.94 116.38 2c3m h PHE 568 Ca 0.01 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.43 2c3m h PHE 568 Cb 0.16 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 2c3m h PHE 568 CO -0.02 0.11 -1.97 1.17 -0.60 0.00 0.00 178.31 177.00 2c3m n LYS 569 N -4.26 0.71 -0.00 1.51 4.81 -0.15 -4.60 118.16 116.18 2c3m n LYS 569 Ca -0.03 0.25 0.08 0.00 -0.87 0.00 0.00 58.31 57.75 2c3m n LYS 569 Cb 0.19 -1.71 -0.11 0.00 0.02 0.00 0.00 35.03 33.42 2c3m n LYS 569 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2c3m n LEU 570 N -3.30 0.47 -0.16 3.14 4.32 0.63 -4.56 117.00 117.53 2c3m n LEU 570 Ca -0.29 -0.30 -0.00 0.00 -0.02 0.00 0.00 56.01 55.40 2c3m n LEU 570 Cb 1.05 0.00 0.25 0.00 -1.62 0.00 0.00 43.42 43.10 2c3m n LEU 570 CO 0.42 0.12 1.14 0.00 -1.22 0.00 0.00 177.39 177.84 2c3m h ALA 571 N 2.04 1.40 0.00 -1.18 0.00 -1.12 -3.47 119.26 116.93 2c3m h ALA 571 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2c3m h ALA 571 Cb 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2c3m h ALA 571 CO 0.00 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.15 2c3m n GLY 572 N -1.22 0.55 0.10 0.00 0.00 -1.26 -4.87 105.19 98.49 2c3m n GLY 572 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.29 2c3m n GLY 572 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2c3m n VAL 573 N -2.93 0.95 -3.94 1.61 0.24 -1.26 -4.94 118.33 108.05 2c3m n VAL 573 Ca 0.00 -0.63 -0.09 0.00 -2.04 0.00 0.00 64.34 61.58 2c3m n VAL 573 Cb 0.09 -0.57 -0.09 0.00 -1.47 0.00 0.00 33.84 31.80 2c3m n VAL 573 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2c3m s LEU 574 N -5.60 1.86 0.00 1.34 1.43 -1.26 -5.12 118.68 111.34 2c3m s LEU 574 Ca -0.02 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.22 2c3m s LEU 574 Cb 0.09 0.56 -0.06 0.00 0.03 0.00 0.00 46.19 46.80 2c3m s LEU 574 CO 0.80 -0.50 1.58 -2.16 0.23 0.00 0.00 176.35 176.30 2c3m s PRO 575 N -2.63 4.21 0.05 1.29 0.04 -1.26 -4.77 135.00 131.93 2c3m s PRO 575 Ca -0.05 2.17 -0.07 0.00 0.04 0.00 0.00 61.00 63.10 2c3m s PRO 575 Cb -0.01 -3.73 0.01 0.00 0.04 0.00 0.00 34.50 30.80 2c3m s PRO 575 CO -0.05 -0.73 0.40 0.34 0.04 0.00 0.00 177.00 177.00 2c3m n PHE 576 N 6.10 -0.08 -0.10 0.56 -0.00 -1.26 -0.47 117.46 122.21 2c3m n PHE 576 Ca 0.16 0.32 -0.12 0.00 -0.00 0.00 0.00 57.45 57.81 2c3m n PHE 576 Cb 0.42 -0.54 -0.07 0.00 -0.00 0.00 0.00 39.48 39.29 2c3m n PHE 576 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2c3m h GLU 577 N 0.00 -0.38 -0.76 -4.13 4.39 -1.97 -1.57 114.58 110.16 2c3m h GLU 577 Ca 0.06 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 2c3m h GLU 577 Cb 0.12 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2c3m h GLU 577 CO -0.25 -0.25 0.27 -0.22 -1.16 0.00 0.00 179.01 177.39 2c3m h LYS 578 N -0.39 1.16 0.08 2.33 3.64 -1.15 -2.72 116.57 119.53 2c3m h LYS 578 Ca 0.10 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2c3m h LYS 578 Cb 0.61 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2c3m h LYS 578 CO -0.55 0.97 -0.13 0.00 -2.27 0.00 0.00 179.45 177.47 2c3m h ALA 579 N 1.16 -0.77 -1.00 5.00 0.00 -0.52 0.22 119.26 123.36 2c3m h ALA 579 Ca 0.25 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.32 2c3m h ALA 579 Cb 0.27 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 2c3m h ALA 579 CO -0.01 -0.79 0.61 0.28 0.00 0.00 0.00 179.25 179.34 2c3m h VAL 580 N -0.23 0.67 0.46 0.00 2.07 -1.38 0.12 116.25 117.97 2c3m h VAL 580 Ca -0.01 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2c3m h VAL 580 Cb 0.21 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2c3m h VAL 580 CO -0.04 0.13 -0.22 -0.78 0.02 0.00 0.00 177.57 176.67 2c3m h ASP 581 N 0.69 -0.52 -0.52 0.57 -0.00 -1.12 -0.66 116.42 114.85 2c3m h ASP 581 Ca 0.58 0.02 0.04 0.00 -0.00 0.00 0.00 57.03 57.66 2c3m h ASP 581 Cb 1.00 0.14 -0.04 0.00 -0.00 0.00 0.00 39.33 40.43 2c3m h ASP 581 CO -0.37 -0.37 0.29 0.25 -0.00 0.00 0.00 179.24 179.04 2c3m h LEU 582 N -0.61 0.43 -0.20 2.28 5.85 0.83 -0.75 115.31 123.14 2c3m h LEU 582 Ca -0.06 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.70 2c3m h LEU 582 Cb 0.47 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2c3m h LEU 582 CO 0.10 0.30 0.03 0.25 -0.34 0.00 0.00 178.44 178.78 2c3m h LEU 583 N 0.56 -0.00 -0.49 2.25 5.85 -0.66 -1.60 115.31 121.22 2c3m h LEU 583 Ca 0.22 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2c3m h LEU 583 Cb 0.09 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2c3m h LEU 583 CO -0.13 0.03 0.24 0.11 -0.34 0.00 0.00 178.44 178.34 2c3m h LYS 584 N 0.11 0.71 -0.92 1.25 1.57 -0.76 -1.57 116.57 116.96 2c3m h LYS 584 Ca 0.09 -0.10 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2c3m h LYS 584 Cb 0.09 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.20 2c3m h LYS 584 CO -0.12 0.59 0.56 0.87 -0.57 0.00 0.00 179.45 180.78 2c3m h LYS 585 N 0.65 0.91 0.00 3.15 1.57 -0.83 -0.36 116.57 121.65 2c3m h LYS 585 Ca 0.17 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2c3m h LYS 585 Cb 0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2c3m h LYS 585 CO -0.02 0.60 -0.46 0.66 -0.57 0.00 0.00 179.45 179.66 2c3m h SER 586 N 0.93 0.00 0.26 0.86 4.64 -0.88 -1.56 113.55 117.81 2c3m h SER 586 Ca 0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.71 2c3m h SER 586 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2c3m h SER 586 CO -0.24 0.46 -0.25 0.40 -0.87 0.00 0.00 176.83 176.33 2c3m h ILE 587 N 0.00 1.16 0.17 0.95 2.04 -0.07 0.76 117.51 122.52 2c3m h ILE 587 Ca -0.00 -0.86 -0.22 0.00 1.00 0.00 0.00 64.86 64.77 2c3m h ILE 587 Cb 0.91 1.47 0.03 0.00 -0.74 0.00 0.00 36.82 38.49 2c3m h ILE 587 CO 0.06 0.25 -0.97 0.45 0.00 0.00 0.00 178.15 177.94 2c3m h HIS 588 N 0.00 0.65 0.05 1.37 3.86 -1.09 -3.35 115.15 116.65 2c3m h HIS 588 Ca -0.00 -0.47 -0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2c3m h HIS 588 Cb 0.45 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 2c3m h HIS 588 CO 0.00 1.37 -0.08 -0.22 0.86 0.00 0.00 177.93 179.86 2c3m h LYS 589 N -0.25 -0.13 -7.39 2.45 3.64 -0.61 -3.38 116.57 110.90 2c3m h LYS 589 Ca -0.17 0.01 -0.41 0.00 -1.27 0.00 0.00 60.65 58.81 2c3m h LYS 589 Cb 1.76 0.03 0.19 0.00 -0.41 0.00 0.00 32.23 33.81 2c3m h LYS 589 CO 0.18 -0.09 0.13 0.00 -2.27 0.00 0.00 179.45 177.41 2c3m s ALA 590 N -3.70 0.61 0.00 5.00 0.00 0.26 -4.71 121.76 119.22 2c3m s ALA 590 Ca -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2c3m s ALA 590 Cb 0.01 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2c3m s ALA 590 CO 0.09 -3.59 0.00 0.66 0.00 0.00 0.00 175.76 172.92 2c3m n TYR 591 N -4.76 0.00 0.00 0.00 4.01 -1.26 -4.64 117.16 110.51 2c3m n TYR 591 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2c3m n TYR 591 Cb 0.59 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 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 0.56 0.44 2.72 0.00 -1.26 -4.71 105.19 102.94 2c3m n GLY 592 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2c3m n GLY 592 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2c3m h LYS 593 N 0.14 -0.27 0.00 1.61 2.10 -1.87 -3.43 116.57 114.85 2c3m h LYS 593 Ca 0.00 0.02 -0.47 0.00 -2.00 0.00 0.00 60.65 58.20 2c3m h LYS 593 Cb 0.00 0.06 0.08 0.00 -0.90 0.00 0.00 32.23 31.47 2c3m h LYS 593 CO 0.00 -0.18 0.09 1.17 -2.00 0.00 0.00 179.45 178.54 2c3m n LYS 594 N -5.30 -0.03 -0.68 0.07 4.81 -1.26 -5.02 118.16 110.76 2c3m n LYS 594 Ca -0.02 -2.78 -0.22 0.00 -0.87 0.00 0.00 58.31 54.42 2c3m n LYS 594 Cb 0.31 -0.62 -0.00 0.00 0.02 0.00 0.00 35.03 34.74 2c3m n LYS 594 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2c3m n GLY 595 N -2.64 -1.44 0.07 3.14 0.00 -1.26 -4.69 105.19 98.36 2c3m n GLY 595 Ca 0.17 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.21 2c3m n GLY 595 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3m n GLU 596 N 0.70 0.05 0.23 1.61 -0.58 -1.26 -1.90 120.64 119.49 2c3m n GLU 596 Ca 0.06 0.48 -0.15 0.00 -0.42 0.00 0.00 57.16 57.12 2c3m n GLU 596 Cb 0.21 -1.78 -0.08 0.00 -0.57 0.00 0.00 31.44 29.21 2c3m n GLU 596 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2c3m h LYS 597 N 0.00 -0.52 -1.00 3.49 3.64 -1.99 0.15 116.57 120.34 2c3m h LYS 597 Ca 0.00 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.57 2c3m h LYS 597 Cb 0.26 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.11 2c3m h LYS 597 CO 0.00 -0.31 0.62 0.82 -2.27 0.00 0.00 179.45 178.31 2c3m h ILE 598 N -0.60 0.81 -0.35 2.00 2.04 -1.67 0.14 117.51 119.88 2c3m h ILE 598 Ca -0.06 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 2c3m h ILE 598 Cb 0.45 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2c3m h ILE 598 CO 0.09 0.16 -0.08 0.58 0.00 0.00 0.00 178.15 178.90 2c3m h VAL 599 N 0.87 1.28 -0.60 1.67 2.07 -1.58 -2.78 116.25 117.18 2c3m h VAL 599 Ca 0.54 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2c3m h VAL 599 Cb 0.71 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2c3m h VAL 599 CO -0.32 0.37 0.27 0.50 0.02 0.00 0.00 177.57 178.42 2c3m h LYS 600 N 0.45 0.87 -0.56 1.57 1.63 0.10 0.84 116.57 121.48 2c3m h LYS 600 Ca 0.09 -0.14 0.05 0.00 -0.85 0.00 0.00 60.65 59.80 2c3m h LYS 600 Cb 0.58 -0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.01 2c3m h LYS 600 CO 0.03 0.72 0.30 0.52 -3.45 0.00 0.00 179.45 177.57 2c3m h MET 601 N 0.82 0.56 -0.33 1.90 2.86 -0.76 0.47 114.93 120.45 2c3m h MET 601 Ca 0.20 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.67 2c3m h MET 601 Cb 0.14 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2c3m h MET 601 CO -0.02 0.37 -0.37 -0.91 1.06 0.00 0.00 176.91 177.04 2c3m h ASN 602 N 0.58 0.82 -0.21 1.22 4.21 -1.20 0.23 115.58 121.23 2c3m h ASN 602 Ca 0.25 -0.36 -0.01 0.00 1.21 0.00 0.00 56.30 57.39 2c3m h ASN 602 Cb 0.13 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.09 2c3m h ASN 602 CO -0.16 1.10 0.09 0.74 -1.29 0.00 0.00 177.43 177.92 2c3m h THR 603 N 0.64 1.15 -0.69 2.81 2.02 -0.05 -1.59 112.91 117.21 2c3m h THR 603 Ca 0.06 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 2c3m h THR 603 Cb 0.91 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 2c3m h THR 603 CO 0.08 0.15 0.30 0.44 0.37 0.00 0.00 175.52 176.86 2c3m h ASP 604 N 0.20 0.91 -0.46 4.18 3.45 0.02 -1.82 116.42 122.89 2c3m h ASP 604 Ca 0.07 -0.12 0.04 0.00 0.43 0.00 0.00 57.03 57.46 2c3m h ASP 604 Cb 0.15 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 38.65 2c3m h ASP 604 CO -0.01 0.80 0.22 0.00 -1.57 0.00 0.00 179.24 178.69 2c3m h ALA 605 N 1.34 0.58 -0.06 3.45 0.00 -0.48 0.27 119.26 124.36 2c3m h ALA 605 Ca 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2c3m h ALA 605 Cb 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2c3m h ALA 605 CO -0.02 -0.13 0.02 0.28 0.00 0.00 0.00 179.25 179.40 2c3m h VAL 606 N 0.44 1.14 0.11 0.00 2.07 -0.84 0.78 116.25 119.94 2c3m h VAL 606 Ca 0.20 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2c3m h VAL 606 Cb 0.13 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2c3m h VAL 606 CO -0.15 0.11 -0.08 0.44 0.02 0.00 0.00 177.57 177.91 2c3m h ASP 607 N -0.07 -0.21 -1.01 0.57 3.45 -0.99 0.99 116.42 119.17 2c3m h ASP 607 Ca 0.02 0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.50 2c3m h ASP 607 Cb 0.16 0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 38.95 2c3m h ASP 607 CO -0.00 -0.13 0.66 -0.61 -1.57 0.00 0.00 179.24 177.59 2c3m h GLN 608 N -0.19 1.33 0.11 3.56 5.75 -0.44 -2.24 115.11 122.99 2c3m h GLN 608 Ca -0.00 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2c3m h GLN 608 Cb 0.17 -0.30 0.00 0.00 1.07 0.00 0.00 27.48 28.43 2c3m h GLN 608 CO -0.01 0.88 -0.05 0.00 -2.65 0.00 0.00 178.83 177.00 2c3m h ALA 609 N 1.37 -0.15 -0.97 3.38 0.00 -0.46 -1.25 119.26 121.17 2c3m h ALA 609 Ca 0.37 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.35 2c3m h ALA 609 Cb -0.15 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.59 2c3m h ALA 609 CO -0.08 -0.50 0.57 0.28 0.00 0.00 0.00 179.25 179.52 2c3m h VAL 610 N -0.32 0.71 -0.07 0.00 2.07 -0.52 0.14 116.25 118.26 2c3m h VAL 610 Ca -0.02 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2c3m h VAL 610 Cb 0.27 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2c3m h VAL 610 CO 0.03 0.13 -0.05 0.74 0.02 0.00 0.00 177.57 178.44 2c3m h THR 611 N 0.74 1.35 0.00 2.57 2.02 -1.19 -3.23 112.91 115.17 2c3m h THR 611 Ca 0.55 -1.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 2c3m h THR 611 Cb 0.84 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 2c3m h THR 611 CO -0.38 0.32 -0.17 0.28 0.37 0.00 0.00 175.52 175.93 2c3m h SER 612 N -0.25 0.00 0.00 4.18 0.02 -0.36 -3.38 113.55 113.76 2c3m h SER 612 Ca 0.01 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.35 2c3m h SER 612 Cb 0.53 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.14 2c3m h SER 612 CO 0.01 0.17 2.07 0.18 -1.14 0.00 0.00 176.83 178.13 2c3m n LEU 613 N -3.42 3.32 -4.66 5.07 7.99 0.42 -4.86 117.00 120.86 2c3m n LEU 613 Ca -0.00 -2.53 -0.35 0.00 -0.01 0.00 0.00 56.01 53.12 2c3m n LEU 613 Cb 0.36 -0.95 -0.10 0.00 -0.11 0.00 0.00 43.42 42.62 2c3m n LEU 613 CO 0.32 -0.73 -0.31 -1.10 -1.51 0.00 0.00 177.39 174.06 2c3m s GLN 614 N 5.41 3.16 -0.16 3.23 -1.52 -1.26 -5.02 119.66 123.49 2c3m s GLN 614 Ca 0.58 -0.41 -0.35 0.00 -1.95 0.00 0.00 55.36 53.23 2c3m s GLN 614 Cb 0.14 -2.85 -0.12 0.00 -0.22 0.00 0.00 33.01 29.97 2c3m s GLN 614 CO 0.17 0.61 1.91 -1.91 -0.25 0.00 0.00 175.29 175.82 2c3m n GLU 615 N 2.43 1.86 -2.23 2.91 2.13 -1.26 -4.49 120.64 121.99 2c3m n GLU 615 Ca -0.18 0.66 -0.43 0.00 0.66 0.00 0.00 57.16 57.87 2c3m n GLU 615 Cb 0.53 -2.55 -0.02 0.00 0.27 0.00 0.00 31.44 29.67 2c3m n GLU 615 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2c3m s PHE 616 N 4.56 2.29 -0.16 4.31 5.36 0.13 -4.97 117.98 129.50 2c3m s PHE 616 Ca 0.96 0.67 -0.23 0.00 -0.96 0.00 0.00 56.93 57.36 2c3m s PHE 616 Cb -0.76 -4.02 -0.02 0.00 -0.34 0.00 0.00 43.02 37.87 2c3m s PHE 616 CO 0.53 -2.44 0.74 0.15 -1.46 0.00 0.00 175.22 172.75 2c3m s LYS 617 N 4.66 4.30 0.17 10.12 -0.14 -1.26 -4.58 119.74 133.00 2c3m s LYS 617 Ca 0.66 0.86 0.09 0.00 -1.36 0.00 0.00 55.97 56.22 2c3m s LYS 617 Cb -0.21 -3.55 -0.04 0.00 -1.68 0.00 0.00 37.83 32.35 2c3m s LYS 617 CO 0.28 -0.22 -0.12 1.52 -0.76 0.00 0.00 175.35 176.05 2c3m s TYR 618 N 1.80 2.59 0.60 3.18 -0.85 -1.26 -5.06 117.35 118.34 2c3m s TYR 618 Ca 0.35 -0.24 -0.17 0.00 -0.52 0.00 0.00 57.07 56.49 2c3m s TYR 618 Cb -0.17 -1.28 -0.03 0.00 0.38 0.00 0.00 41.96 40.86 2c3m s TYR 618 CO 0.13 0.49 1.09 -1.25 -1.52 0.00 0.00 175.55 174.49 2c3m s PRO 619 N -2.69 3.19 0.18 -3.49 0.04 -1.26 -4.92 135.00 126.05 2c3m s PRO 619 Ca 0.23 1.36 0.20 0.00 0.04 0.00 0.00 61.00 62.84 2c3m s PRO 619 Cb -0.09 -2.01 0.86 0.00 0.04 0.00 0.00 34.50 33.31 2c3m s PRO 619 CO 0.14 -0.93 1.63 -3.47 0.04 0.00 0.00 177.00 174.40 2c3m n ASP 620 N -1.92 0.45 0.15 6.66 2.03 -1.26 -2.28 116.55 120.38 2c3m n ASP 620 Ca 0.10 0.61 0.12 0.00 0.52 0.00 0.00 54.79 56.14 2c3m n ASP 620 Cb 0.52 -0.71 0.56 0.00 -0.72 0.00 0.00 41.12 40.77 2c3m n ASP 620 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2c3m n SER 621 N -2.00 0.63 0.23 1.67 3.41 -1.26 -1.00 113.62 115.31 2c3m n SER 621 Ca 0.02 0.73 0.16 0.00 -0.26 0.00 0.00 58.87 59.52 2c3m n SER 621 Cb 0.21 -0.83 0.66 0.00 -0.26 0.00 0.00 64.21 63.98 2c3m n SER 621 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2c3m h TRP 622 N 0.00 0.00 -1.33 7.33 4.06 -1.80 -3.01 115.95 121.21 2c3m h TRP 622 Ca 0.00 0.00 0.38 0.00 2.06 0.00 0.00 58.89 61.33 2c3m h TRP 622 Cb 0.17 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.27 2c3m h TRP 622 CO 0.00 0.00 0.95 0.87 -3.56 0.00 0.00 178.44 176.70 2c3m h LYS 623 N 0.00 0.03 -1.15 0.49 1.79 -1.31 -2.93 116.57 113.49 2c3m h LYS 623 Ca 0.00 -0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.08 2c3m h LYS 623 Cb 0.42 -0.01 -0.29 0.00 -1.58 0.00 0.00 32.23 30.77 2c3m h LYS 623 CO 0.00 0.02 -0.87 -0.40 -1.08 0.00 0.00 179.45 177.12 2c3m n ASP 624 N -4.19 -0.64 -4.74 0.86 5.68 -1.14 -4.81 116.55 107.58 2c3m n ASP 624 Ca 0.29 -3.24 -0.36 0.00 -0.50 0.00 0.00 54.79 50.98 2c3m n ASP 624 Cb 1.37 0.46 0.06 0.00 -1.14 0.00 0.00 41.12 41.87 2c3m n ASP 624 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2c3m s ALA 625 N -1.11 2.40 -0.13 2.12 0.00 -1.12 -4.90 121.76 119.03 2c3m s ALA 625 Ca 0.33 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 2c3m s ALA 625 Cb 0.30 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2c3m s ALA 625 CO -0.09 -1.51 1.65 -1.25 0.00 0.00 0.00 175.76 174.57 2c3m s PRO 626 N -3.41 3.99 0.29 0.00 0.04 -1.26 -4.92 135.00 129.73 2c3m s PRO 626 Ca 0.81 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 63.52 2c3m s PRO 626 Cb -0.35 -4.02 -0.11 0.00 0.04 0.00 0.00 34.50 30.07 2c3m s PRO 626 CO 0.38 -1.06 1.46 0.00 0.04 0.00 0.00 177.00 177.82 2c3m s ALA 627 N 4.64 3.62 0.90 8.56 0.00 -1.26 -4.69 121.76 133.53 2c3m s ALA 627 Ca 0.73 1.41 -0.13 0.00 0.00 0.00 0.00 51.96 53.98 2c3m s ALA 627 Cb -0.30 -3.57 0.18 0.00 0.00 0.00 0.00 23.12 19.43 2c3m s ALA 627 CO 0.29 -0.83 1.24 -1.83 0.00 0.00 0.00 175.76 174.64 2c3m s GLU 628 N -0.92 0.94 0.00 0.00 -1.05 -1.26 -5.11 118.70 111.30 2c3m s GLU 628 Ca 0.57 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 2c3m s GLU 628 Cb -0.44 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.30 2c3m s GLU 628 CO 0.49 -2.16 0.00 0.25 0.95 0.00 0.00 175.26 174.79 2c3m n THR 629 N -3.54 0.00 -3.96 1.83 -2.24 -1.26 -5.08 114.28 100.03 2c3m n THR 629 Ca 0.15 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.61 2c3m n THR 629 Cb 0.60 -1.03 -0.14 0.00 -2.10 0.00 0.00 70.33 67.66 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 2.24 1.69 -0.26 -0.78 -2.85 -1.26 -4.95 119.74 113.57 2c3m s LYS 630 Ca 0.00 -2.05 0.05 0.00 -1.00 0.00 0.00 55.97 52.96 2c3m s LYS 630 Cb 0.00 -3.30 0.48 0.00 -2.06 0.00 0.00 37.83 32.95 2c3m s LYS 630 CO 0.00 -1.00 1.54 0.00 0.10 0.00 0.00 175.35 175.99 2c3m n ALA 631 N 4.02 4.27 -2.19 0.59 0.00 -1.26 -4.94 120.51 120.99 2c3m n ALA 631 Ca 0.04 -1.77 -0.43 0.00 0.00 0.00 0.00 53.44 51.28 2c3m n ALA 631 Cb 0.40 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 2c3m n ALA 631 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2c3m s GLU 632 N -2.21 3.98 1.07 0.00 4.04 -1.26 -5.01 118.70 119.31 2c3m s GLU 632 Ca 0.38 1.71 -0.12 0.00 0.04 0.00 0.00 54.97 56.99 2c3m s GLU 632 Cb 0.31 -3.95 0.23 0.00 0.02 0.00 0.00 34.13 30.74 2c3m s GLU 632 CO 0.08 -1.06 1.07 -2.14 -1.84 0.00 0.00 175.26 171.37 2c3m s PRO 633 N 4.24 -0.20 0.37 -4.83 0.02 -1.26 -4.95 135.00 128.39 2c3m s PRO 633 Ca 0.66 1.01 -0.27 0.00 0.02 0.00 0.00 61.00 62.42 2c3m s PRO 633 Cb -0.25 -1.63 -0.09 0.00 0.02 0.00 0.00 34.50 32.55 2c3m s PRO 633 CO 0.25 -3.29 1.27 1.41 -0.33 0.00 0.00 177.00 176.31 2c3m s MET 634 N -4.57 4.15 0.38 5.54 -2.45 -1.26 -5.01 119.30 116.08 2c3m s MET 634 Ca 0.67 2.09 -0.12 0.00 -1.25 0.00 0.00 55.69 57.09 2c3m s MET 634 Cb -0.24 -2.87 0.05 0.00 1.25 0.00 0.00 34.83 33.02 2c3m s MET 634 CO 0.62 -0.32 0.72 2.41 1.05 0.00 0.00 175.02 179.50 2c3m n THR 635 N 0.40 0.00 -1.15 10.11 -1.04 -1.26 -5.12 114.28 116.23 2c3m n THR 635 Ca 0.02 -1.18 -0.32 0.00 -2.04 0.00 0.00 64.05 60.54 2c3m n THR 635 Cb 0.44 1.01 0.11 0.00 -1.82 0.00 0.00 70.33 70.07 2c3m n THR 635 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2c3m s ASN 636 N -3.09 4.02 0.14 8.00 0.01 -1.26 -4.90 114.94 117.86 2c3m s ASN 636 Ca 0.19 2.01 -0.09 0.00 -0.71 0.00 0.00 52.86 54.27 2c3m s ASN 636 Cb -0.04 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 2c3m s ASN 636 CO 0.14 -2.36 1.42 -0.08 -1.51 0.00 0.00 177.10 174.71 2c3m h GLU 637 N -1.17 0.75 -0.59 -0.60 4.57 -2.02 -2.25 114.58 113.28 2c3m h GLU 637 Ca -0.44 -0.50 -0.10 0.00 -1.18 0.00 0.00 59.36 57.14 2c3m h GLU 637 Cb 1.25 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 2c3m h GLU 637 CO 0.48 1.12 -0.01 0.35 -1.18 0.00 0.00 179.01 179.78 2c3m h PHE 638 N 0.57 1.13 -0.41 0.92 3.57 -1.96 -0.09 116.94 120.66 2c3m h PHE 638 Ca 0.00 -0.19 -0.07 0.00 3.53 0.00 0.00 57.97 61.24 2c3m h PHE 638 Cb 1.18 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2c3m h PHE 638 CO 0.07 1.00 -0.02 0.35 -2.23 0.00 0.00 178.31 177.48 2c3m h PHE 639 N 0.95 0.81 -0.00 0.41 3.57 -1.91 0.31 116.94 121.08 2c3m h PHE 639 Ca 0.17 -0.15 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 2c3m h PHE 639 Cb 0.56 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2c3m h PHE 639 CO 0.04 0.82 -0.73 1.57 -2.23 0.00 0.00 178.31 177.78 2c3m h LYS 640 N 0.56 0.03 0.00 1.11 2.10 -1.30 0.18 116.57 119.25 2c3m h LYS 640 Ca 0.11 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2c3m h LYS 640 Cb 0.51 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2c3m h LYS 640 CO 0.02 0.75 -1.34 0.09 -2.00 0.00 0.00 179.45 176.97 2c3m n ASN 641 N -3.69 0.55 0.08 7.07 3.02 -0.06 -4.50 115.26 117.74 2c3m n ASN 641 Ca -0.01 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2c3m n ASN 641 Cb 0.71 0.99 0.00 0.00 -0.61 0.00 0.00 39.78 40.87 2c3m n ASN 641 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2c3m n VAL 642 N -2.51 0.67 -0.09 2.41 0.31 0.11 -4.81 118.33 114.42 2c3m n VAL 642 Ca -0.01 0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 64.41 2c3m n VAL 642 Cb 0.55 -1.15 -0.05 0.00 -0.91 0.00 0.00 33.84 32.29 2c3m n VAL 642 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2c3m h VAL 643 N 0.00 1.30 0.07 2.52 3.04 -1.47 -2.63 116.25 119.08 2c3m h VAL 643 Ca 0.00 -1.27 0.01 0.00 -1.01 0.00 0.00 66.70 64.43 2c3m h VAL 643 Cb 0.06 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 2c3m h VAL 643 CO 0.00 0.40 -0.09 0.50 -1.01 0.00 0.00 177.57 177.37 2c3m h LYS 644 N 0.29 -0.19 -0.98 4.17 1.63 -0.92 0.38 116.57 120.95 2c3m h LYS 644 Ca 0.05 0.01 0.14 0.00 -0.85 0.00 0.00 60.65 60.01 2c3m h LYS 644 Cb 0.68 0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.27 2c3m h LYS 644 CO 0.04 -0.12 0.60 -1.35 -3.45 0.00 0.00 179.45 175.17 2c3m h PRO 645 N -0.19 0.86 -0.33 1.90 0.11 -1.77 0.62 132.00 133.19 2c3m h PRO 645 Ca 0.01 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 2c3m h PRO 645 Cb 0.20 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2c3m h PRO 645 CO -0.04 0.57 -0.11 0.82 -0.21 0.00 0.00 178.00 179.02 2c3m h ILE 646 N 0.89 1.28 0.00 4.15 2.04 -0.98 0.16 117.51 125.05 2c3m h ILE 646 Ca 0.51 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 2c3m h ILE 646 Cb 0.60 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2c3m h ILE 646 CO -0.30 0.39 -0.15 -0.07 0.00 0.00 0.00 178.15 178.01 2c3m h LEU 647 N 0.44 0.00 -2.39 1.44 3.38 0.99 -1.58 115.31 117.59 2c3m h LEU 647 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2c3m h LEU 647 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2c3m h LEU 647 CO 0.04 0.15 0.00 0.35 0.09 0.00 0.00 178.44 179.07 2c3m n THR 648 N -3.93 1.49 -3.16 0.22 -2.24 0.09 -4.90 114.28 101.85 2c3m n THR 648 Ca -0.02 -0.80 -0.18 0.00 -2.27 0.00 0.00 64.05 60.78 2c3m n THR 648 Cb 0.24 -0.27 0.05 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.44 -5.30 -0.00 -0.78 1.13 -0.59 -4.79 117.38 107.48 2c3m n GLN 649 Ca 0.16 0.68 0.00 0.00 -1.94 0.00 0.00 57.00 55.90 2c3m n GLN 649 Cb 0.75 -5.17 0.00 0.00 0.11 0.00 0.00 30.24 25.94 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 -3.75 2.69 -0.29 -1.09 1.13 0.54 -4.76 117.38 111.85 2c3m n GLN 650 Ca -0.03 -1.44 0.20 0.00 -1.94 0.00 0.00 57.00 53.79 2c3m n GLN 650 Cb 0.57 -1.01 0.49 0.00 0.11 0.00 0.00 30.24 30.40 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 0.05 1.11 1.94 1.08 0.00 -1.75 0.94 103.07 106.45 2c3m h GLY 651 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2c3m h GLY 651 CO 0.00 -0.07 0.03 -0.55 0.00 0.00 0.00 176.54 175.95 2c3m h ASP 652 N 0.44 0.00 0.68 0.19 3.32 -1.93 -0.93 116.42 118.19 2c3m h ASP 652 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 2c3m h ASP 652 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2c3m h ASP 652 CO -0.25 0.00 -0.14 0.29 -1.72 0.00 0.00 179.24 177.42 2c3m n LYS 653 N -3.63 0.21 -2.48 3.56 5.02 0.33 -4.82 118.16 116.35 2c3m n LYS 653 Ca -0.03 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 2c3m n LYS 653 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 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 -2.83 4.31 0.83 -0.35 1.43 -0.36 -4.99 118.68 116.73 2c3m s LEU 654 Ca 0.18 1.84 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 2c3m s LEU 654 Cb 0.19 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.94 2c3m s LEU 654 CO 0.55 -0.53 1.11 -2.16 0.23 0.00 0.00 176.35 175.55 2c3m s PRO 655 N 1.84 1.82 0.44 1.29 0.04 -1.26 -4.73 135.00 134.43 2c3m s PRO 655 Ca 0.56 0.53 0.15 0.00 0.04 0.00 0.00 61.00 62.29 2c3m s PRO 655 Cb -0.25 -1.90 1.05 0.00 0.04 0.00 0.00 34.50 33.44 2c3m s PRO 655 CO 0.24 -1.78 1.96 0.28 0.04 0.00 0.00 177.00 177.74 2c3m h VAL 656 N -1.20 0.85 0.00 -0.36 2.07 -1.75 -1.96 116.25 113.89 2c3m h VAL 656 Ca -0.48 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2c3m h VAL 656 Cb 1.29 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2c3m h VAL 656 CO 0.60 0.07 0.00 0.77 0.02 0.00 0.00 177.57 179.03 2c3m h SER 657 N 0.39 0.00 0.74 0.57 4.64 -1.92 -2.64 113.55 115.33 2c3m h SER 657 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2c3m h SER 657 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2c3m h SER 657 CO -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 2c3m n ALA 658 N -1.90 2.25 -2.56 5.18 0.00 -0.74 -4.86 120.51 117.89 2c3m n ALA 658 Ca -0.01 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 2c3m n ALA 658 Cb 0.11 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.83 2.57 0.13 0.00 0.40 -1.00 -5.05 117.98 112.20 2c3m s PHE 659 Ca 0.18 -0.25 -0.30 0.00 -0.60 0.00 0.00 56.93 55.96 2c3m s PHE 659 Cb 0.17 -1.21 -0.06 0.00 0.51 0.00 0.00 43.02 42.43 2c3m s PHE 659 CO 0.45 0.57 1.04 -1.21 0.70 0.00 0.00 175.22 176.77 2c3m s GLU 660 N -3.12 4.63 0.40 0.44 0.41 -1.26 -4.94 118.70 115.26 2c3m s GLU 660 Ca 0.27 1.59 0.15 0.00 -0.41 0.00 0.00 54.97 56.57 2c3m s GLU 660 Cb -0.08 -3.34 1.02 0.00 -1.78 0.00 0.00 34.13 29.96 2c3m s GLU 660 CO 0.16 0.10 1.84 0.00 -0.49 0.00 0.00 175.26 176.87 2c3m h ALA 661 N 5.54 2.11 -0.28 5.21 0.00 -1.95 -0.15 119.26 129.74 2c3m h ALA 661 Ca -0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2c3m h ALA 661 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2c3m h ALA 661 CO 0.73 -0.41 0.00 -0.40 0.00 0.00 0.00 179.25 179.17 2c3m n ASP 662 N -4.55 2.34 0.00 0.00 3.85 -1.26 -4.96 116.55 111.97 2c3m n ASP 662 Ca 0.20 -1.84 0.00 0.00 -0.71 0.00 0.00 54.79 52.44 2c3m n ASP 662 Cb 0.68 -0.18 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 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 1.26 0.88 3.76 6.12 0.00 -0.07 -4.78 105.19 112.36 2c3m n GLY 663 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.10 2.83 0.11 1.61 1.70 -1.26 -4.92 118.95 118.92 2c3m s ARG 664 Ca 0.00 1.59 0.06 0.00 -0.47 0.00 0.00 55.73 56.91 2c3m s ARG 664 Cb 0.00 -1.94 -0.04 0.00 -0.57 0.00 0.00 34.95 32.41 2c3m s ARG 664 CO 0.00 -1.26 -0.15 -0.06 -1.08 0.00 0.00 175.30 172.75 2c3m s PHE 665 N -2.00 1.43 0.59 5.89 0.40 -1.26 -4.60 117.98 118.42 2c3m s PHE 665 Ca 0.72 -0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 56.42 2c3m s PHE 665 Cb -0.25 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 2c3m s PHE 665 CO 0.37 0.14 0.99 -1.25 0.70 0.00 0.00 175.22 176.18 2c3m s PRO 666 N -2.39 3.64 0.81 0.24 0.04 -1.26 -5.06 135.00 131.02 2c3m s PRO 666 Ca 0.07 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 61.70 2c3m s PRO 666 Cb -0.07 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.43 2c3m s PRO 666 CO 0.03 -0.48 1.13 -0.51 0.04 0.00 0.00 177.00 177.21 2c3m s LEU 667 N -4.97 2.50 -0.55 -3.56 1.02 -1.26 -4.41 118.68 107.45 2c3m s LEU 667 Ca 0.55 1.05 0.00 0.00 0.02 0.00 0.00 54.13 55.75 2c3m s LEU 667 Cb -0.11 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.50 2c3m s LEU 667 CO 0.50 -1.96 0.00 0.61 0.02 0.00 0.00 176.35 175.52 2c3m n GLY 668 N -2.63 0.67 0.20 -3.19 0.00 0.23 -4.90 105.19 95.57 2c3m n GLY 668 Ca 0.07 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.71 -2.52 112.91 112.63 2c3m h THR 669 Ca -0.11 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2c3m h THR 669 Cb 0.71 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2c3m h THR 669 CO 0.16 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.89 2c3m n SER 670 N -2.58 0.00 0.27 5.36 3.41 -1.04 -3.38 113.62 115.65 2c3m n SER 670 Ca 0.01 0.46 0.11 0.00 -0.26 0.00 0.00 58.87 59.18 2c3m n SER 670 Cb 0.21 -0.48 0.73 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.12 4.33 1.08 -1.73 -2.97 115.11 115.70 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 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2c3m h GLN 671 CO 0.00 0.06 0.00 1.19 -0.95 0.00 0.00 178.83 179.13 2c3m n PHE 672 N -4.08 0.14 -0.05 2.96 3.01 -1.22 -4.58 117.46 113.64 2c3m n PHE 672 Ca -0.03 -0.09 -0.12 0.00 1.01 0.00 0.00 57.45 58.22 2c3m n PHE 672 Cb 0.14 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.55 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 3.46 0.28 -6.93 -1.08 5.08 -1.70 -3.47 114.58 110.23 2c3m h GLU 673 Ca 0.00 -0.09 -0.46 0.00 -1.00 0.00 0.00 59.36 57.81 2c3m h GLU 673 Cb 0.77 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2c3m h GLU 673 CO 0.00 0.51 -0.81 1.63 -1.00 0.00 0.00 179.01 179.34 2c3m n LYS 674 N -4.74 -0.56 -0.17 2.33 4.76 -1.26 -4.83 118.16 113.69 2c3m n LYS 674 Ca -0.05 0.06 -0.03 0.00 -2.87 0.00 0.00 58.31 55.43 2c3m n LYS 674 Cb 0.22 -1.69 0.18 0.00 -1.84 0.00 0.00 35.03 31.90 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 -1.11 0.91 -5.69 1.97 3.08 -1.91 -3.48 114.38 108.17 2c3m h ARG 675 Ca -0.55 -0.16 -0.34 0.00 0.07 0.00 0.00 59.98 59.01 2c3m h ARG 675 Cb 1.10 -0.15 0.16 0.00 0.08 0.00 0.00 29.97 31.16 2c3m h ARG 675 CO 0.38 0.76 -0.77 0.41 -1.07 0.00 0.00 179.97 179.68 2c3m n GLY 676 N -0.97 -0.37 1.05 0.04 0.00 0.69 -4.93 105.19 100.69 2c3m n GLY 676 Ca 0.05 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.19 0.34 -2.44 1.61 0.24 -1.26 -4.96 118.33 107.66 2c3m n VAL 677 Ca -0.27 -0.67 -0.37 0.00 -2.04 0.00 0.00 64.34 60.98 2c3m n VAL 677 Cb 0.66 1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 34.15 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 -1.59 3.13 -0.10 2.33 0.00 -1.25 -4.92 121.76 119.35 2c3m s ALA 678 Ca 0.34 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 2c3m s ALA 678 Cb 0.21 -3.32 -0.27 0.00 0.00 0.00 0.00 23.12 19.74 2c3m s ALA 678 CO 0.30 -0.33 0.57 0.82 0.00 0.00 0.00 175.76 177.11 2c3m h ILE 679 N 2.30 1.04 -4.13 0.00 2.04 -1.91 -3.43 117.51 113.42 2c3m h ILE 679 Ca -0.48 -2.41 -0.51 0.00 1.00 0.00 0.00 64.86 62.46 2c3m h ILE 679 Cb 1.22 2.72 -0.26 0.00 -0.74 0.00 0.00 36.82 39.77 2c3m h ILE 679 CO 0.63 0.71 -0.82 0.20 0.00 0.00 0.00 178.15 178.87 2c3m s ASN 680 N -7.04 2.00 0.14 1.72 0.01 -1.26 -1.43 114.94 109.08 2c3m s ASN 680 Ca -0.20 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 51.55 2c3m s ASN 680 Cb 0.04 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.50 2c3m s ASN 680 CO 0.77 0.11 -0.09 0.68 -1.51 0.00 0.00 177.10 177.06 2c3m s VAL 681 N -0.73 1.09 0.48 1.60 -7.23 0.53 -3.89 120.40 112.26 2c3m s VAL 681 Ca 0.05 -2.04 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 2c3m s VAL 681 Cb -0.08 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 2c3m s VAL 681 CO 0.01 -0.75 1.03 -2.16 -0.31 0.00 0.00 175.10 172.91 2c3m s PRO 682 N -3.77 3.84 -0.13 4.82 0.04 -1.26 -0.56 135.00 137.97 2c3m s PRO 682 Ca 0.16 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.55 2c3m s PRO 682 Cb 0.03 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.48 2c3m s PRO 682 CO -0.00 -0.40 -0.21 -1.14 0.04 0.00 0.00 177.00 175.30 2c3m s GLN 683 N -3.27 2.87 0.25 4.56 0.74 0.59 -4.88 119.66 120.52 2c3m s GLN 683 Ca 0.66 -0.80 -0.30 0.00 0.05 0.00 0.00 55.36 54.98 2c3m s GLN 683 Cb -0.15 -2.33 -0.09 0.00 1.10 0.00 0.00 33.01 31.54 2c3m s GLN 683 CO 0.20 -0.02 1.05 -0.46 -0.55 0.00 0.00 175.29 175.52 2c3m s TRP 684 N 0.83 3.70 -0.59 1.67 -0.00 -1.26 -1.59 118.94 121.70 2c3m s TRP 684 Ca -0.07 1.75 0.04 0.00 -0.00 0.00 0.00 56.10 57.82 2c3m s TRP 684 Cb -0.15 -3.20 0.15 0.00 -0.00 0.00 0.00 33.47 30.27 2c3m s TRP 684 CO -0.02 -0.27 0.38 0.08 -0.00 0.00 0.00 176.95 177.12 2c3m s VAL 685 N -1.01 2.39 0.54 5.86 1.01 0.29 -4.95 120.40 124.53 2c3m s VAL 685 Ca 0.44 -3.65 0.37 0.00 0.00 0.00 0.00 61.98 59.14 2c3m s VAL 685 Cb -0.30 -2.61 0.56 0.00 0.00 0.00 0.00 36.38 34.03 2c3m s VAL 685 CO 0.38 -0.96 1.79 1.55 0.00 0.00 0.00 175.10 177.86 2c3m h PRO 686 N 5.89 0.01 0.00 2.72 0.13 -1.95 -1.43 132.00 137.38 2c3m h PRO 686 Ca 0.07 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 2c3m h PRO 686 Cb 0.83 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 2c3m h PRO 686 CO 0.65 0.01 -0.14 0.93 -0.23 0.00 0.00 178.00 179.22 2c3m h GLU 687 N 0.01 0.00 -0.00 0.86 3.07 -1.95 -2.94 114.58 113.62 2c3m h GLU 687 Ca 0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 2c3m h GLU 687 Cb 2.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.21 2c3m h GLU 687 CO -0.02 0.14 -0.66 0.09 -1.40 0.00 0.00 179.01 177.16 2c3m n ASN 688 N -3.64 0.88 -4.73 1.42 5.03 -0.55 -5.00 115.26 108.67 2c3m n ASN 688 Ca -0.02 -0.94 -0.41 0.00 0.87 0.00 0.00 54.58 54.08 2c3m n ASN 688 Cb 0.26 0.91 -0.03 0.00 -1.02 0.00 0.00 39.78 39.90 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 2.92 1.14 -3.68 0.00 -5.35 -1.26 -4.98 119.36 108.15 2c3m n ILE 690 Ca 0.07 -1.05 -0.22 0.00 -0.27 0.00 0.00 62.75 61.27 2c3m n ILE 690 Cb 0.43 0.43 0.03 0.00 -1.74 0.00 0.00 39.64 38.80 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 1.21 -4.12 0.03 6.28 6.02 -1.26 -4.93 117.38 120.61 2c3m n GLN 691 Ca 0.21 0.60 0.11 0.00 -0.01 0.00 0.00 57.00 57.91 2c3m n GLN 691 Cb 0.61 -5.04 -0.05 0.00 1.02 0.00 0.00 30.24 26.78 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 -2.21 -4.58 0.17 0.00 3.02 -1.26 -4.45 115.26 105.95 2c3m n ASN 693 Ca -0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 2c3m n ASN 693 Cb 0.50 -2.30 0.38 0.00 -0.61 0.00 0.00 39.78 37.74 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 0.43 0.09 -0.59 3.52 4.20 -1.94 -2.74 115.11 118.07 2c3m h GLN 694 Ca 0.00 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2c3m h GLN 694 Cb 0.58 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2c3m h GLN 694 CO 0.00 0.36 0.14 0.00 -0.67 0.00 0.00 178.83 178.66 2c3m h ALA 696 N 1.03 0.87 -0.68 0.00 0.00 -1.83 -3.03 119.26 115.63 2c3m h ALA 696 Ca 0.19 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2c3m h ALA 696 Cb 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2c3m h ALA 696 CO 0.00 0.66 0.39 0.35 0.00 0.00 0.00 179.25 180.65 2c3m h PHE 697 N 0.32 0.93 0.00 0.00 3.57 -1.23 -3.18 116.94 117.34 2c3m h PHE 697 Ca 0.02 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2c3m h PHE 697 Cb 0.98 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.42 2c3m h PHE 697 CO 0.03 0.65 -0.18 0.28 -2.23 0.00 0.00 178.31 176.86 2c3m n VAL 698 N -4.52 0.54 -1.87 1.41 0.31 -0.90 -4.88 118.33 108.42 2c3m n VAL 698 Ca 0.06 -0.29 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 2c3m n VAL 698 Cb 0.08 -0.46 -0.03 0.00 -0.91 0.00 0.00 33.84 32.52 2c3m n VAL 698 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c3m n PRO 700 N 5.72 0.42 0.00 0.00 -0.02 -1.26 -3.51 135.00 136.34 2c3m n PRO 700 Ca 0.16 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2c3m n PRO 700 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.20 0.00 -2.78 6.00 8.25 -1.26 -4.60 115.22 119.63 2c3m n HIS 701 Ca 0.12 -0.10 -0.18 0.00 -0.26 0.00 0.00 57.72 57.30 2c3m n HIS 701 Cb 0.14 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.10 -5.29 -0.30 0.41 2.88 -1.23 -1.45 113.62 108.55 2c3m n SER 702 Ca 0.00 -0.19 0.10 0.00 -1.33 0.00 0.00 58.87 57.44 2c3m n SER 702 Cb 0.32 -4.18 0.45 0.00 -0.75 0.00 0.00 64.21 60.05 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 -2.98 2.56 -3.96 -1.46 0.00 -1.26 -4.74 120.51 108.68 2c3m n ALA 703 Ca -0.12 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.66 2c3m n ALA 703 Cb 0.61 -1.18 -0.16 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.89 2.14 -0.35 0.00 1.01 -1.26 -0.36 121.20 120.49 2c3m s ILE 704 Ca 0.30 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 2c3m s ILE 704 Cb 0.15 -1.89 0.07 0.00 0.01 0.00 0.00 42.46 40.80 2c3m s ILE 704 CO 0.24 0.54 0.10 -0.22 0.00 0.00 0.00 174.94 175.59 2c3m s LEU 705 N 1.16 4.46 0.22 2.97 2.96 0.20 -4.77 118.68 125.88 2c3m s LEU 705 Ca 0.02 -1.50 -0.30 0.00 -0.22 0.00 0.00 54.13 52.13 2c3m s LEU 705 Cb -0.14 -1.79 -0.09 0.00 0.50 0.00 0.00 46.19 44.67 2c3m s LEU 705 CO -0.09 -0.37 1.20 -2.84 -1.32 0.00 0.00 176.35 172.93 2c3m s PRO 706 N 1.25 4.49 -0.15 0.98 0.02 -1.26 -1.16 135.00 139.17 2c3m s PRO 706 Ca 0.00 1.91 0.02 0.00 0.02 0.00 0.00 61.00 62.96 2c3m s PRO 706 Cb -0.21 -3.21 0.01 0.00 0.02 0.00 0.00 34.50 31.11 2c3m s PRO 706 CO -0.01 -0.06 -0.21 0.08 -0.33 0.00 0.00 177.00 176.46 2c3m s VAL 707 N -0.32 2.04 -0.30 3.83 1.01 0.17 -4.93 120.40 121.90 2c3m s VAL 707 Ca 0.51 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2c3m s VAL 707 Cb -0.34 -1.81 0.09 0.00 0.00 0.00 0.00 36.38 34.32 2c3m s VAL 707 CO 0.39 0.54 0.01 -0.22 0.00 0.00 0.00 175.10 175.83 2c3m s LEU 708 N 0.92 3.60 0.18 3.92 2.96 -1.26 -1.13 118.68 127.87 2c3m s LEU 708 Ca -0.04 -1.73 0.07 0.00 -0.22 0.00 0.00 54.13 52.21 2c3m s LEU 708 Cb -0.15 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 2c3m s LEU 708 CO -0.04 -0.33 -0.14 0.00 -1.32 0.00 0.00 176.35 174.52 2c3m s ALA 709 N 1.18 1.85 0.37 5.97 0.00 -0.70 -4.64 121.76 125.78 2c3m s ALA 709 Ca 0.04 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 2c3m s ALA 709 Cb -0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 2c3m s ALA 709 CO -0.10 0.07 0.62 0.15 0.00 0.00 0.00 175.76 176.50 2c3m s LYS 710 N -3.40 3.56 0.22 0.00 1.02 -1.26 -0.13 119.74 119.75 2c3m s LYS 710 Ca 0.19 -0.04 -0.11 0.00 0.02 0.00 0.00 55.97 56.02 2c3m s LYS 710 Cb -0.02 -2.57 0.30 0.00 -0.52 0.00 0.00 37.83 35.03 2c3m s LYS 710 CO 0.05 0.07 1.64 0.93 -0.92 0.00 0.00 175.35 177.12 2c3m h GLU 711 N 0.94 0.05 0.00 1.68 5.08 -1.97 0.27 114.58 120.63 2c3m h GLU 711 Ca -0.48 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2c3m h GLU 711 Cb 1.20 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2c3m h GLU 711 CO 0.63 0.03 -0.01 1.05 -1.00 0.00 0.00 179.01 179.72 2c3m h GLU 712 N 0.05 0.00 0.00 2.33 4.11 -2.00 -1.41 114.58 117.66 2c3m h GLU 712 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 2c3m h GLU 712 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2c3m h GLU 712 CO -0.63 0.01 0.00 0.39 0.07 0.00 0.00 179.01 178.85 2c3m n GLU 713 N -3.49 0.17 -0.46 1.06 1.02 0.08 -3.44 120.64 115.59 2c3m n GLU 713 Ca -0.03 0.16 0.08 0.00 -0.02 0.00 0.00 57.16 57.35 2c3m n GLU 713 Cb 0.09 -1.71 0.28 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.00 4.05 0.21 -4.62 4.32 -0.53 -4.67 117.00 113.75 2c3m n LEU 714 Ca 0.06 -2.53 -0.15 0.00 -0.02 0.00 0.00 56.01 53.37 2c3m n LEU 714 Cb 0.38 -0.48 -0.07 0.00 -1.62 0.00 0.00 43.42 41.63 2c3m n LEU 714 CO 0.28 0.74 0.70 0.58 -1.22 0.00 0.00 177.39 178.48 2c3m h VAL 715 N 2.82 0.48 -0.33 4.08 2.07 -1.62 -2.64 116.25 121.11 2c3m h VAL 715 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2c3m h VAL 715 Cb 1.28 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2c3m h VAL 715 CO 0.18 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.38 2c3m n GLY 716 N -1.37 1.30 3.75 2.17 0.00 -1.26 -4.94 105.19 104.84 2c3m n GLY 716 Ca -0.10 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.66 3.66 0.86 4.61 0.00 -1.00 -4.95 121.76 123.28 2c3m s ALA 717 Ca 0.25 1.45 -0.14 0.00 0.00 0.00 0.00 51.96 53.52 2c3m s ALA 717 Cb 0.16 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.70 2c3m s ALA 717 CO 0.13 -0.87 0.55 -2.30 0.00 0.00 0.00 175.76 173.27 2c3m n PRO 718 N 1.89 -0.04 -0.35 0.00 -0.02 -1.26 -4.85 135.00 130.37 2c3m n PRO 718 Ca 0.06 0.04 0.07 0.00 -2.02 0.00 0.00 63.50 61.65 2c3m n PRO 718 Cb 0.39 -1.92 0.24 0.00 -0.02 0.00 0.00 33.50 32.19 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 -1.09 1.50 -0.40 3.55 0.00 -2.00 -1.88 119.26 118.94 2c3m h ALA 719 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2c3m h ALA 719 Cb 1.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2c3m h ALA 719 CO 0.38 0.18 0.00 0.27 0.00 0.00 0.00 179.25 180.08 2c3m n ASN 720 N -4.65 3.33 -2.85 0.00 6.94 -1.26 -4.58 115.26 112.20 2c3m n ASN 720 Ca 0.19 -2.34 -0.29 0.00 -0.02 0.00 0.00 54.58 52.11 2c3m n ASN 720 Cb 0.37 -0.49 -0.08 0.00 -2.36 0.00 0.00 39.78 37.22 2c3m n ASN 720 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2c3m n PHE 721 N 0.57 1.58 -1.63 -2.53 7.35 -0.71 -4.94 117.46 117.14 2c3m n PHE 721 Ca 0.16 -2.51 -0.48 0.00 -0.76 0.00 0.00 57.45 53.86 2c3m n PHE 721 Cb 0.66 -2.14 -0.04 0.00 0.35 0.00 0.00 39.48 38.30 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 3.07 0.30 -4.14 -2.13 -1.04 -1.26 -4.96 114.28 104.12 2c3m n THR 722 Ca 0.65 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.05 62.44 2c3m n THR 722 Cb 0.48 -1.23 -0.11 0.00 -1.82 0.00 0.00 70.33 67.64 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 0.45 0.93 0.38 2.41 0.00 -1.26 -4.77 121.76 119.90 2c3m s ALA 723 Ca 0.78 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.81 2c3m s ALA 723 Cb -0.77 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2c3m s ALA 723 CO 0.45 0.01 0.27 -0.51 0.00 0.00 0.00 175.76 175.97 2c3m s LEU 724 N -2.01 3.37 -0.23 0.00 1.43 0.86 -4.86 118.68 117.23 2c3m s LEU 724 Ca -0.01 -0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 52.05 2c3m s LEU 724 Cb -0.07 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2c3m s LEU 724 CO 0.00 -0.48 1.11 -1.61 0.23 0.00 0.00 176.35 175.60 2c3m s GLU 725 N -4.00 4.20 -0.14 1.70 2.02 -1.26 -0.08 118.70 121.15 2c3m s GLU 725 Ca 0.43 1.38 -0.33 0.00 0.02 0.00 0.00 54.97 56.47 2c3m s GLU 725 Cb -0.03 -3.70 -0.10 0.00 0.10 0.00 0.00 34.13 30.41 2c3m s GLU 725 CO 0.25 -0.72 2.01 0.00 0.02 0.00 0.00 175.26 176.82 2c3m n ALA 726 N 6.55 1.18 -1.49 5.21 0.00 0.05 -4.79 120.51 127.22 2c3m n ALA 726 Ca 0.13 0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 2c3m n ALA 726 Cb 0.46 -2.61 0.06 0.00 0.00 0.00 0.00 19.45 17.36 2c3m n ALA 726 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2c3m s LYS 727 N 4.90 2.68 0.00 0.00 1.02 -1.26 -4.42 119.74 122.65 2c3m s LYS 727 Ca 0.96 0.97 0.00 0.00 0.02 0.00 0.00 55.97 57.92 2c3m s LYS 727 Cb -0.61 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2c3m s LYS 727 CO 0.47 -1.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.02 2c3m n GLY 728 N -1.82 2.44 0.19 -3.33 0.00 -1.26 -4.55 105.19 96.86 2c3m n GLY 728 Ca 0.08 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 2c3m n GLY 728 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2c3m h LYS 729 N 0.00 0.38 0.00 1.61 3.64 -2.00 -3.01 116.57 117.19 2c3m h LYS 729 Ca 0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2c3m h LYS 729 Cb 0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2c3m h LYS 729 CO 0.00 0.83 -0.08 0.39 -2.27 0.00 0.00 179.45 178.32 2c3m n GLU 730 N -3.94 0.14 -0.26 1.90 4.71 -1.26 -3.33 120.64 118.60 2c3m n GLU 730 Ca -0.03 0.10 0.10 0.00 -0.01 0.00 0.00 57.16 57.32 2c3m n GLU 730 Cb 0.59 -1.65 0.24 0.00 -1.01 0.00 0.00 31.44 29.61 2c3m n GLU 730 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2c3m n LEU 731 N -1.88 3.48 -4.69 -4.62 4.77 -1.14 -4.99 117.00 107.92 2c3m n LEU 731 Ca 0.06 -1.86 -0.51 0.00 -0.03 0.00 0.00 56.01 53.68 2c3m n LEU 731 Cb 0.39 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2c3m n LEU 731 CO 0.30 0.84 1.41 1.17 -1.33 0.00 0.00 177.39 179.78 2c3m n LYS 732 N 1.25 1.89 0.00 3.23 4.81 -1.17 -1.24 118.16 126.93 2c3m n LYS 732 Ca 0.19 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 2c3m n LYS 732 Cb 0.55 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.11 2c3m n LYS 732 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2c3m n GLY 733 N 4.22 2.74 3.88 3.14 0.00 -1.26 -5.07 105.19 112.84 2c3m n GLY 733 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.60 3.55 0.06 1.61 1.51 -0.38 -4.63 117.35 116.48 2c3m s TYR 734 Ca 0.00 1.10 0.04 0.00 -1.01 0.00 0.00 57.07 57.19 2c3m s TYR 734 Cb 0.00 -2.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 2c3m s TYR 734 CO 0.00 -0.66 0.00 0.15 -1.11 0.00 0.00 175.55 173.93 2c3m s LYS 735 N -5.08 2.63 -0.01 -0.62 -0.14 0.81 -0.77 119.74 116.57 2c3m s LYS 735 Ca 0.53 -0.77 0.06 0.00 -1.36 0.00 0.00 55.97 54.44 2c3m s LYS 735 Cb -0.11 -2.59 -0.01 0.00 -1.68 0.00 0.00 37.83 33.44 2c3m s LYS 735 CO 0.51 0.56 -0.19 0.12 -0.76 0.00 0.00 175.35 175.59 2c3m s PHE 736 N -1.25 1.69 -0.20 3.18 5.36 0.89 -1.73 117.98 125.92 2c3m s PHE 736 Ca 0.24 -0.32 -0.15 0.00 -0.96 0.00 0.00 56.93 55.74 2c3m s PHE 736 Cb -0.12 -1.09 0.06 0.00 -0.34 0.00 0.00 43.02 41.53 2c3m s PHE 736 CO 0.16 -0.02 0.51 0.50 -1.46 0.00 0.00 175.22 174.91 2c3m s ARG 737 N -0.48 0.56 -0.50 10.12 3.52 -0.29 -0.10 118.95 131.79 2c3m s ARG 737 Ca 0.07 0.80 -0.18 0.00 -0.13 0.00 0.00 55.73 56.30 2c3m s ARG 737 Cb -0.07 0.19 0.07 0.00 -1.56 0.00 0.00 34.95 33.58 2c3m s ARG 737 CO -0.01 -0.10 0.54 0.42 -0.81 0.00 0.00 175.30 175.33 2c3m s ILE 738 N 0.75 5.03 -0.24 4.11 -1.09 -1.26 0.45 121.20 128.95 2c3m s ILE 738 Ca -0.04 -0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 57.42 2c3m s ILE 738 Cb -0.05 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 2c3m s ILE 738 CO -0.06 -0.74 0.44 -1.58 -1.23 0.00 0.00 174.94 171.77 2c3m s GLN 739 N 2.20 4.09 -0.04 2.79 2.00 -0.31 -4.82 119.66 125.57 2c3m s GLN 739 Ca 0.10 0.20 -0.22 0.00 -2.00 0.00 0.00 55.36 53.44 2c3m s GLN 739 Cb -0.22 -3.62 -0.05 0.00 0.80 0.00 0.00 33.01 29.93 2c3m s GLN 739 CO 0.09 -0.23 0.65 0.42 -0.50 0.00 0.00 175.29 175.72 2c3m s ILE 740 N 1.92 4.98 -0.96 -2.34 -1.09 -1.26 -0.63 121.20 121.82 2c3m s ILE 740 Ca 0.19 1.34 -0.14 0.00 -2.23 0.00 0.00 60.65 59.81 2c3m s ILE 740 Cb -0.15 -3.99 0.21 0.00 -1.58 0.00 0.00 42.46 36.95 2c3m s ILE 740 CO 0.09 0.33 1.00 0.21 -1.23 0.00 0.00 174.94 175.34 2c3m s ASN 741 N 0.33 6.89 0.56 3.58 3.84 0.51 -4.75 114.94 125.91 2c3m s ASN 741 Ca 0.34 -2.79 0.26 0.00 0.21 0.00 0.00 52.86 50.88 2c3m s ASN 741 Cb -0.18 -2.27 1.63 0.00 -0.55 0.00 0.00 41.25 39.88 2c3m s ASN 741 CO 0.17 -0.63 2.20 0.71 -2.79 0.00 0.00 177.10 176.76 2c3m h THR 742 N 4.75 0.66 0.00 -5.21 1.35 -1.88 -1.59 112.91 110.99 2c3m h THR 742 Ca 0.16 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.92 2c3m h THR 742 Cb 0.98 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2c3m h THR 742 CO 0.94 0.02 -0.63 -0.07 -0.25 0.00 0.00 175.52 175.53 2c3m h LEU 743 N 0.00 0.00 0.00 3.87 3.38 -1.94 -3.31 115.31 117.31 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 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2c3m h LEU 743 CO 0.00 0.03 -1.48 0.47 0.09 0.00 0.00 178.44 177.55 2c3m n ASP 744 N -2.86 0.55 -4.76 -0.43 8.00 -1.06 -0.23 116.55 115.76 2c3m n ASP 744 Ca 0.01 -0.48 -0.38 0.00 0.71 0.00 0.00 54.79 54.65 2c3m n ASP 744 Cb 0.56 1.50 0.02 0.00 -0.02 0.00 0.00 41.12 43.18 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 -0.76 1.11 -1.63 0.00 2.81 -1.26 -3.96 117.12 113.43 2c3m n MET 746 Ca 0.09 -1.26 -0.09 0.00 -1.81 0.00 0.00 57.70 54.63 2c3m n MET 746 Cb 0.45 -1.26 -0.02 0.00 -0.71 0.00 0.00 33.22 31.68 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 0.84 0.62 0.29 3.03 0.00 -1.25 -4.59 105.19 104.12 2c3m n GLY 747 Ca 0.08 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.48 0.72 0.22 0.00 0.00 -1.26 -3.28 105.19 101.12 2c3m n GLY 749 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 0.64 0.29 1.61 4.21 -1.86 -1.59 115.58 118.88 2c3m h ASN 750 Ca 0.00 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.43 2c3m h ASN 750 Cb 0.00 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.02 2c3m h ASN 750 CO 0.00 0.54 -0.29 0.00 -1.29 0.00 0.00 177.43 176.38 2c3m h ALA 752 N -0.04 1.49 -0.45 0.00 0.00 -1.85 -1.29 119.26 117.13 2c3m h ALA 752 Ca -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2c3m h ALA 752 Cb 0.57 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2c3m h ALA 752 CO -0.06 0.39 0.12 0.22 0.00 0.00 0.00 179.25 179.92 2c3m h ASP 753 N 0.57 0.60 -0.01 0.00 3.58 -0.85 -3.12 116.42 117.20 2c3m h ASP 753 Ca 0.14 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2c3m h ASP 753 Cb 0.16 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2c3m h ASP 753 CO -0.01 0.59 -0.61 2.30 -2.88 0.00 0.00 179.24 178.63 2c3m n ILE 754 N -4.32 0.00 -1.55 2.25 -6.64 -0.85 -4.94 119.36 103.30 2c3m n ILE 754 Ca 0.03 -0.19 -0.53 0.00 -1.77 0.00 0.00 62.75 60.29 2c3m n ILE 754 Cb 0.19 1.14 -0.07 0.00 -1.44 0.00 0.00 39.64 39.47 2c3m n ILE 754 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2c3m n PRO 756 N 7.14 -0.28 -1.61 0.00 -0.02 -1.26 -4.76 135.00 134.21 2c3m n PRO 756 Ca 0.35 1.28 -0.49 0.00 -2.02 0.00 0.00 63.50 62.62 2c3m n PRO 756 Cb 0.20 -1.89 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 2c3m n PRO 756 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2c3m n PRO 757 N -4.45 1.46 -0.28 0.52 -0.04 -1.26 -4.85 135.00 126.10 2c3m n PRO 757 Ca 0.01 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.10 2c3m n PRO 757 Cb 0.17 -2.13 0.34 0.00 -0.04 0.00 0.00 33.50 31.84 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 4.24 0.75 -4.09 0.54 1.57 -1.96 -2.64 116.57 114.98 2c3m h LYS 758 Ca -0.45 -0.04 -0.77 0.00 -1.87 0.00 0.00 60.65 57.51 2c3m h LYS 758 Cb 1.32 -0.17 -0.23 0.00 0.08 0.00 0.00 32.23 33.23 2c3m h LYS 758 CO 0.76 0.49 0.95 -0.85 -0.57 0.00 0.00 179.45 180.23 2c3m n GLU 759 N -4.56 3.50 -0.75 3.15 0.00 -1.26 -5.01 120.64 115.71 2c3m n GLU 759 Ca 0.17 -4.15 -0.27 0.00 0.00 0.00 0.00 57.16 52.91 2c3m n GLU 759 Cb 0.42 -2.79 -0.03 0.00 0.00 0.00 0.00 31.44 29.04 2c3m n GLU 759 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2c3m n LYS 760 N 4.04 0.00 0.00 3.44 4.76 -0.99 -4.75 118.16 124.66 2c3m n LYS 760 Ca 0.31 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.87 2c3m n LYS 760 Cb 0.40 -0.62 0.18 0.00 -1.84 0.00 0.00 35.03 33.16 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 0.29 2.54 -3.72 7.82 0.00 -1.26 -4.81 120.51 121.37 2c3m n ALA 761 Ca 0.10 -0.63 -0.21 0.00 0.00 0.00 0.00 53.44 52.70 2c3m n ALA 761 Cb 0.10 -0.88 -0.17 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.03 0.73 -0.05 0.00 1.43 -1.26 0.10 118.68 117.61 2c3m s LEU 762 Ca 0.30 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2c3m s LEU 762 Cb 0.20 -0.34 0.01 0.00 0.03 0.00 0.00 46.19 46.09 2c3m s LEU 762 CO 0.32 -0.17 -0.09 -0.69 0.23 0.00 0.00 176.35 175.96 2c3m s VAL 763 N 1.67 0.87 0.21 -1.59 1.01 -0.62 -4.75 120.40 117.20 2c3m s VAL 763 Ca -0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 2c3m s VAL 763 Cb -0.13 -0.81 -0.09 0.00 0.00 0.00 0.00 36.38 35.36 2c3m s VAL 763 CO -0.03 0.29 1.27 -0.04 0.00 0.00 0.00 175.10 176.58 2c3m s MET 764 N 0.60 4.43 0.06 2.72 1.00 -1.26 -0.30 119.30 126.55 2c3m s MET 764 Ca -0.11 2.01 -0.05 0.00 0.00 0.00 0.00 55.69 57.54 2c3m s MET 764 Cb -0.13 -3.19 -0.02 0.00 0.00 0.00 0.00 34.83 31.48 2c3m s MET 764 CO 0.02 -0.18 0.09 -0.65 0.00 0.00 0.00 175.02 174.30 2c3m s GLN 765 N -0.36 0.71 0.33 2.03 -1.52 0.27 -4.92 119.66 116.20 2c3m s GLN 765 Ca 0.54 -1.02 -0.29 0.00 -1.95 0.00 0.00 55.36 52.65 2c3m s GLN 765 Cb -0.36 0.27 -0.12 0.00 -0.22 0.00 0.00 33.01 32.59 2c3m s GLN 765 CO 0.39 -0.19 1.45 -2.30 -0.25 0.00 0.00 175.29 174.40 2c3m n PRO 766 N 0.16 2.47 -0.29 2.91 -0.02 -1.26 -0.35 135.00 138.62 2c3m n PRO 766 Ca -0.15 0.87 0.09 0.00 -2.02 0.00 0.00 63.50 62.29 2c3m n PRO 766 Cb 0.61 -2.57 0.25 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 3.42 0.42 -2.47 2.45 5.85 -1.51 -1.00 115.31 122.47 2c3m h LEU 767 Ca -0.48 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 2c3m h LEU 767 Cb 1.25 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 2c3m h LEU 767 CO 0.69 0.12 -0.01 -2.24 -0.34 0.00 0.00 178.44 176.66 2c3m h ASP 768 N 0.52 0.00 -0.03 1.25 3.04 -1.90 -1.27 116.42 118.02 2c3m h ASP 768 Ca 0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.28 2c3m h ASP 768 Cb 0.80 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.09 2c3m h ASP 768 CO -0.43 0.01 0.00 0.35 -2.04 0.00 0.00 179.24 177.13 2c3m n THR 769 N -3.18 0.02 0.00 1.15 -2.24 -0.38 -4.36 114.28 105.29 2c3m n THR 769 Ca -0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2c3m n THR 769 Cb 0.15 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.27 2.37 -0.12 -0.78 1.13 -0.58 -4.88 117.38 114.78 2c3m n GLN 770 Ca 0.18 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.18 2c3m n GLN 770 Cb 0.37 -0.91 0.02 0.00 0.11 0.00 0.00 30.24 29.82 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 0.37 -0.98 -1.09 0.11 -1.48 -0.29 114.38 111.02 2c3m h ARG 771 Ca 0.00 -0.02 0.14 0.00 0.10 0.00 0.00 59.98 60.20 2c3m h ARG 771 Cb 0.83 -0.08 -0.09 0.00 1.11 0.00 0.00 29.97 31.73 2c3m h ARG 771 CO 0.00 0.25 0.59 -0.44 0.10 0.00 0.00 179.97 180.47 2c3m h ASP 772 N 0.38 0.82 0.17 0.08 3.32 -1.86 -0.24 116.42 119.09 2c3m h ASP 772 Ca 0.16 0.07 -0.32 0.00 0.02 0.00 0.00 57.03 56.96 2c3m h ASP 772 Cb 0.08 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.55 2c3m h ASP 772 CO -0.12 0.38 -1.60 0.00 -1.72 0.00 0.00 179.24 176.18 2c3m h ALA 773 N 1.57 0.13 0.00 3.45 0.00 -1.86 -3.39 119.26 119.16 2c3m h ALA 773 Ca 0.52 -1.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2c3m h ALA 773 Cb 0.64 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2c3m h ALA 773 CO -0.31 0.92 -0.08 1.96 0.00 0.00 0.00 179.25 181.73 2c3m h GLN 774 N -0.03 0.00 0.32 0.00 1.08 -0.85 -3.25 115.11 112.37 2c3m h GLN 774 Ca -0.32 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.86 2c3m h GLN 774 Cb 1.98 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.42 2c3m h GLN 774 CO 0.15 0.05 -0.15 0.28 -0.95 0.00 0.00 178.83 178.20 2c3m h VAL 775 N 0.00 0.70 0.00 -0.54 2.07 -1.24 0.42 116.25 117.67 2c3m h VAL 775 Ca -0.00 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 2c3m h VAL 775 Cb 1.04 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2c3m h VAL 775 CO 0.01 0.07 -0.25 1.55 0.02 0.00 0.00 177.57 178.97 2c3m h PRO 776 N -0.61 0.00 -0.55 1.57 0.13 -1.79 -2.23 132.00 128.52 2c3m h PRO 776 Ca -0.04 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 2c3m h PRO 776 Cb 0.44 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 2c3m h PRO 776 CO 0.07 0.25 -0.10 -0.91 -0.23 0.00 0.00 178.00 177.08 2c3m h ASN 777 N 0.00 1.04 -0.35 1.44 -0.26 -1.54 -1.56 115.58 114.35 2c3m h ASN 777 Ca -0.00 -0.34 -0.05 0.00 -0.56 0.00 0.00 56.30 55.34 2c3m h ASN 777 Cb 0.47 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 2c3m h ASN 777 CO 0.03 1.14 0.01 0.25 -1.06 0.00 0.00 177.43 177.81 2c3m h LEU 778 N 0.92 0.59 -0.36 1.61 7.12 -0.51 0.25 115.31 124.95 2c3m h LEU 778 Ca 0.14 -0.30 0.03 0.00 0.13 0.00 0.00 57.88 57.89 2c3m h LEU 778 Cb 0.67 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.61 2c3m h LEU 778 CO 0.05 0.74 0.15 -0.33 -0.13 0.00 0.00 178.44 178.92 2c3m h GLU 779 N 0.42 0.31 -0.13 1.25 4.39 -1.26 0.30 114.58 119.86 2c3m h GLU 779 Ca 0.10 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2c3m h GLU 779 Cb 0.43 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2c3m h GLU 779 CO 0.02 0.21 0.07 -0.92 -1.16 0.00 0.00 179.01 177.22 2c3m h TYR 780 N 0.32 0.18 -0.68 4.33 3.20 -1.13 -2.90 116.97 120.28 2c3m h TYR 780 Ca 0.16 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 2c3m h TYR 780 Cb 0.10 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 2c3m h TYR 780 CO -0.12 0.21 0.42 0.00 -1.64 0.00 0.00 178.16 177.03 2c3m h ALA 781 N 0.96 0.89 -0.05 1.82 0.00 -0.50 -1.62 119.26 120.76 2c3m h ALA 781 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2c3m h ALA 781 Cb 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2c3m h ALA 781 CO -0.01 0.17 0.16 0.00 0.00 0.00 0.00 179.25 179.57 2c3m h ALA 782 N 1.30 1.35 -0.00 0.00 0.00 -0.22 0.10 119.26 121.78 2c3m h ALA 782 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2c3m h ALA 782 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2c3m h ALA 782 CO -0.12 -0.18 -0.34 0.54 0.00 0.00 0.00 179.25 179.15 2c3m n ARG 783 N -3.25 0.40 -2.87 0.00 3.00 -0.61 -4.85 116.66 108.47 2c3m n ARG 783 Ca -0.01 -0.22 -0.41 0.00 -0.01 0.00 0.00 57.85 57.20 2c3m n ARG 783 Cb 0.23 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 31.16 2c3m n ARG 783 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2c3m s ILE 784 N -2.75 4.90 0.14 0.55 1.01 0.35 -4.99 121.20 120.42 2c3m s ILE 784 Ca 0.18 1.71 -0.35 0.00 0.00 0.00 0.00 60.65 62.20 2c3m s ILE 784 Cb 0.19 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 38.34 2c3m s ILE 784 CO 0.60 0.10 1.50 -2.65 0.00 0.00 0.00 174.94 174.48 2c3m n PRO 785 N 4.66 1.85 -2.30 2.79 -0.02 -1.26 -4.91 135.00 135.81 2c3m n PRO 785 Ca 0.04 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 2c3m n PRO 785 Cb 0.50 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 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 0.72 3.80 -1.19 -1.45 1.01 -1.26 -4.87 120.40 117.17 2c3m s VAL 786 Ca 0.80 1.24 -0.15 0.00 0.00 0.00 0.00 61.98 63.86 2c3m s VAL 786 Cb -0.76 -3.79 0.15 0.00 0.00 0.00 0.00 36.38 31.98 2c3m s VAL 786 CO 0.41 0.05 1.44 -0.54 0.00 0.00 0.00 175.10 176.46 2c3m s LYS 787 N 1.72 4.02 0.00 2.72 -0.14 -1.26 -4.80 119.74 122.00 2c3m s LYS 787 Ca 0.61 -2.40 0.30 0.00 -1.36 0.00 0.00 55.97 53.12 2c3m s LYS 787 Cb -0.31 -5.11 1.44 0.00 -1.68 0.00 0.00 37.83 32.17 2c3m s LYS 787 CO 0.27 -1.84 1.97 -1.13 -0.76 0.00 0.00 175.35 173.87 2c3m n SER 788 N 6.14 0.61 -0.00 2.83 3.41 -1.09 -3.92 113.62 121.60 2c3m n SER 788 Ca 0.37 -1.04 0.08 0.00 -0.26 0.00 0.00 58.87 58.02 2c3m n SER 788 Cb 0.44 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 2c3m n SER 788 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2c3m n GLU 789 N -0.61 1.39 -0.17 4.33 4.07 -1.26 -4.61 120.64 123.77 2c3m n GLU 789 Ca 0.20 -0.04 -0.11 0.00 -0.06 0.00 0.00 57.16 57.15 2c3m n GLU 789 Cb 0.24 -1.29 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 2c3m n GLU 789 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2c3m h VAL 790 N 0.00 1.27 -2.69 6.31 2.07 -1.96 -3.46 116.25 117.79 2c3m h VAL 790 Ca 0.00 -1.28 -0.49 0.00 0.82 0.00 0.00 66.70 65.75 2c3m h VAL 790 Cb 0.48 1.05 -0.14 0.00 -1.52 0.00 0.00 31.29 31.15 2c3m h VAL 790 CO 0.00 0.45 -0.71 -0.76 0.02 0.00 0.00 177.57 176.56 2c3m s LEU 791 N -9.19 2.53 0.19 2.57 1.43 -1.26 -4.98 118.68 109.97 2c3m s LEU 791 Ca -0.12 -1.09 -0.33 0.00 -1.03 0.00 0.00 54.13 51.56 2c3m s LEU 791 Cb 0.12 -0.71 -0.13 0.00 0.03 0.00 0.00 46.19 45.50 2c3m s LEU 791 CO 0.86 -0.21 1.59 -2.65 0.23 0.00 0.00 176.35 176.16 2c3m n PRO 792 N -0.49 2.29 -0.01 1.29 -0.02 -1.26 -4.86 135.00 131.93 2c3m n PRO 792 Ca -0.07 0.82 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 2c3m n PRO 792 Cb 0.62 -2.60 0.56 0.00 -0.02 0.00 0.00 33.50 32.06 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 5.85 0.25 -0.74 -0.52 2.43 -1.86 -2.35 114.38 117.43 2c3m h ARG 793 Ca -0.45 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.54 2c3m h ARG 793 Cb 1.24 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.64 2c3m h ARG 793 CO 0.88 0.16 0.21 -0.40 -1.51 0.00 0.00 179.97 179.32 2c3m n ASP 794 N -4.46 4.90 -4.94 -3.80 3.85 -1.26 -3.28 116.55 107.56 2c3m n ASP 794 Ca 0.08 -3.10 -0.26 0.00 -0.71 0.00 0.00 54.79 50.80 2c3m n ASP 794 Cb 0.37 -0.73 -0.03 0.00 -1.35 0.00 0.00 41.12 39.38 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 -0.88 6.31 0.11 -1.12 1.04 -0.89 -4.84 113.70 113.43 2c3m s SER 795 Ca 0.52 0.16 -0.35 0.00 0.48 0.00 0.00 55.95 56.76 2c3m s SER 795 Cb 0.41 -1.89 -0.14 0.00 0.10 0.00 0.00 66.02 64.50 2c3m s SER 795 CO 0.13 0.05 1.56 0.25 0.98 0.00 0.00 173.24 176.21 2c3m h LEU 796 N 2.11 -1.59 -0.40 2.42 6.46 -1.91 0.28 115.31 122.69 2c3m h LEU 796 Ca -0.49 0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.39 2c3m h LEU 796 Cb 1.20 0.59 -0.02 0.00 -0.73 0.00 0.00 40.66 41.70 2c3m h LEU 796 CO 0.68 -0.56 0.05 0.50 -0.62 0.00 0.00 178.44 178.49 2c3m h LYS 797 N -0.75 0.67 -0.38 1.25 3.64 -1.93 -3.12 116.57 115.95 2c3m h LYS 797 Ca -0.00 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2c3m h LYS 797 Cb 0.76 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2c3m h LYS 797 CO -0.29 0.73 0.09 0.78 -2.27 0.00 0.00 179.45 178.49 2c3m h GLY 798 N 0.51 0.60 1.82 5.01 0.00 -1.67 -2.58 103.07 106.76 2c3m h GLY 798 Ca 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2c3m h GLY 798 CO 0.01 0.30 0.07 1.48 0.00 0.00 0.00 176.54 178.39 2c3m h SER 799 N 0.55 0.21 -0.03 0.19 4.64 -0.38 -1.21 113.55 117.52 2c3m h SER 799 Ca 0.13 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2c3m h SER 799 Cb 0.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2c3m h SER 799 CO -0.00 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.16 2c3m n GLN 800 N -4.46 1.22 -0.61 4.77 1.13 -0.97 -2.52 117.38 115.93 2c3m n GLN 800 Ca -0.00 -0.32 0.08 0.00 -1.94 0.00 0.00 57.00 54.82 2c3m n GLN 800 Cb 0.12 -1.39 0.32 0.00 0.11 0.00 0.00 30.24 29.40 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 -0.52 1.39 -4.27 1.08 0.99 -0.46 -4.63 117.46 111.04 2c3m n PHE 801 Ca 0.18 -0.77 -0.25 0.00 -0.00 0.00 0.00 57.45 56.60 2c3m n PHE 801 Cb 0.16 -0.36 -0.08 0.00 -1.00 0.00 0.00 39.48 38.20 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 -2.59 2.22 -0.15 -1.08 -1.52 -1.05 -2.67 119.66 112.83 2c3m s GLN 802 Ca 0.47 -1.28 -0.29 0.00 -1.95 0.00 0.00 55.36 52.31 2c3m s GLN 802 Cb 0.35 -2.21 -0.02 0.00 -0.22 0.00 0.00 33.01 30.92 2c3m s GLN 802 CO 0.14 0.42 1.26 -1.21 -0.25 0.00 0.00 175.29 175.65 2c3m s GLU 803 N -3.13 4.24 0.08 2.91 2.02 -1.26 -5.00 118.70 118.56 2c3m s GLU 803 Ca 0.28 1.67 -0.30 0.00 0.02 0.00 0.00 54.97 56.64 2c3m s GLU 803 Cb -0.08 -3.75 -0.05 0.00 0.10 0.00 0.00 34.13 30.35 2c3m s GLU 803 CO 0.18 -0.68 1.08 -1.25 0.02 0.00 0.00 175.26 174.60 2c3m s PRO 804 N 3.37 4.54 -0.33 0.39 0.04 -1.26 -4.47 135.00 137.28 2c3m s PRO 804 Ca 0.55 1.61 0.09 0.00 0.04 0.00 0.00 61.00 63.29 2c3m s PRO 804 Cb -0.22 -3.37 0.66 0.00 0.04 0.00 0.00 34.50 31.61 2c3m s PRO 804 CO 0.16 -0.05 1.74 1.28 0.04 0.00 0.00 177.00 180.16 2c3m n LEU 805 N 3.40 5.68 -3.26 -3.56 4.77 -1.26 -4.74 117.00 118.03 2c3m n LEU 805 Ca 0.06 -3.40 -0.04 0.00 -0.03 0.00 0.00 56.01 52.60 2c3m n LEU 805 Cb 0.48 -0.73 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 2c3m n LEU 805 CO 0.53 0.94 0.01 -0.32 -1.33 0.00 0.00 177.39 177.23 2c3m s MET 806 N -3.10 0.45 0.08 3.23 1.75 -1.26 -1.55 119.30 118.90 2c3m s MET 806 Ca 0.52 0.50 0.02 0.00 -1.25 0.00 0.00 55.69 55.49 2c3m s MET 806 Cb 0.43 -0.08 -0.03 0.00 2.84 0.00 0.00 34.83 37.99 2c3m s MET 806 CO 0.10 -0.84 -0.08 -1.21 -0.65 0.00 0.00 175.02 172.34 2c3m s GLU 807 N 2.66 0.74 -1.45 4.11 2.02 -0.34 -4.74 118.70 121.70 2c3m s GLU 807 Ca 0.13 -1.10 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 2c3m s GLU 807 Cb -0.13 -0.33 0.00 0.00 0.10 0.00 0.00 34.13 33.77 2c3m s GLU 807 CO -0.23 0.03 0.29 1.19 0.02 0.00 0.00 175.26 176.56 2c3m n PHE 808 N 0.61 -1.53 -1.84 1.61 0.99 -0.53 -4.43 117.46 112.34 2c3m n PHE 808 Ca -0.17 0.70 -0.29 0.00 -0.00 0.00 0.00 57.45 57.69 2c3m n PHE 808 Cb 0.58 -3.45 0.11 0.00 -1.00 0.00 0.00 39.48 35.72 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 -4.36 4.19 -0.14 4.37 1.04 -1.26 -4.80 113.70 112.73 2c3m s SER 809 Ca 0.01 0.76 0.03 0.00 0.48 0.00 0.00 55.95 57.23 2c3m s SER 809 Cb -0.00 -1.23 0.27 0.00 0.10 0.00 0.00 66.02 65.15 2c3m s SER 809 CO 0.92 -2.10 1.22 0.61 0.98 0.00 0.00 173.24 174.87 2c3m n GLY 810 N -3.16 2.64 3.80 7.32 0.00 -1.25 -4.92 105.19 109.61 2c3m n GLY 810 Ca 0.08 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.36 2.57 0.86 4.61 0.00 -1.26 -2.74 121.76 124.44 2c3m s ALA 811 Ca 0.21 0.27 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 2c3m s ALA 811 Cb 0.17 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 20.17 2c3m s ALA 811 CO 0.05 -1.24 1.16 0.00 0.00 0.00 0.00 175.76 175.72 2c3m s SER 813 N -2.35 6.63 0.00 0.00 0.15 -1.26 -2.00 113.70 114.87 2c3m s SER 813 Ca 0.70 2.52 0.00 0.00 0.70 0.00 0.00 55.95 59.87 2c3m s SER 813 Cb -0.26 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 2c3m s SER 813 CO 0.54 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2c3m n GLY 814 N 3.80 0.70 3.55 9.45 0.00 -1.26 -4.85 105.19 116.58 2c3m n GLY 814 Ca 0.14 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.65 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 2.02 -1.08 0.12 0.00 0.00 -0.79 -4.07 105.19 101.38 2c3m n GLY 816 Ca 0.17 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 0.32 0.11 -0.32 1.61 5.08 -1.90 -3.39 114.58 116.09 2c3m h GLU 817 Ca 0.00 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2c3m h GLU 817 Cb 0.32 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2c3m h GLU 817 CO 0.00 1.09 0.22 1.79 -1.00 0.00 0.00 179.01 181.11 2c3m h THR 818 N -0.58 0.99 -0.81 1.13 1.35 -1.85 -2.80 112.91 110.34 2c3m h THR 818 Ca -0.36 -0.10 -0.03 0.00 -0.55 0.00 0.00 66.41 65.37 2c3m h THR 818 Cb 1.58 0.68 -0.04 0.00 -1.73 0.00 0.00 68.15 68.64 2c3m h THR 818 CO -0.08 0.05 0.37 -0.65 -0.25 0.00 0.00 175.52 174.96 2c3m h PRO 819 N 0.29 1.18 -0.13 4.72 0.11 -1.78 -1.53 132.00 134.86 2c3m h PRO 819 Ca 0.14 -0.19 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2c3m h PRO 819 Cb 0.19 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2c3m h PRO 819 CO -0.03 0.92 0.07 1.88 -0.21 0.00 0.00 178.00 180.64 2c3m h TYR 820 N 1.16 0.18 -0.47 0.65 -1.99 -1.75 -2.63 116.97 112.11 2c3m h TYR 820 Ca 0.28 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.98 2c3m h TYR 820 Cb 0.15 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 2c3m h TYR 820 CO 0.02 0.18 0.23 0.28 -0.00 0.00 0.00 178.16 178.86 2c3m h VAL 821 N 0.12 1.19 -0.57 -2.88 2.07 -1.46 -1.88 116.25 112.84 2c3m h VAL 821 Ca 0.05 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.09 2c3m h VAL 821 Cb 0.06 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2c3m h VAL 821 CO -0.01 0.21 0.29 -0.09 0.02 0.00 0.00 177.57 177.99 2c3m h ARG 822 N 0.62 0.53 -0.57 1.57 2.43 -1.22 -1.87 114.38 115.87 2c3m h ARG 822 Ca 0.16 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2c3m h ARG 822 Cb 0.12 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2c3m h ARG 822 CO -0.02 0.35 0.04 0.28 -1.51 0.00 0.00 179.97 179.11 2c3m h VAL 823 N 0.55 1.26 -0.90 0.20 2.07 -1.23 -2.58 116.25 115.62 2c3m h VAL 823 Ca 0.26 -1.05 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2c3m h VAL 823 Cb 0.18 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 2c3m h VAL 823 CO -0.18 0.38 0.60 0.40 0.02 0.00 0.00 177.57 178.78 2c3m h ILE 824 N 0.89 1.18 0.00 4.57 2.04 -0.68 -0.71 117.51 124.81 2c3m h ILE 824 Ca 0.17 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2c3m h ILE 824 Cb 0.47 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2c3m h ILE 824 CO 0.02 0.21 -0.20 0.71 0.00 0.00 0.00 178.15 178.90 2c3m h THR 825 N 1.16 0.56 0.00 -0.27 1.35 -0.98 -1.39 112.91 113.35 2c3m h THR 825 Ca 0.35 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2c3m h THR 825 Cb -0.03 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2c3m h THR 825 CO -0.10 0.19 0.00 1.56 -0.25 0.00 0.00 175.52 176.93 2c3m h GLN 826 N 0.00 0.00 0.00 4.72 4.20 -0.82 0.24 115.11 123.45 2c3m h GLN 826 Ca -0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 2c3m h GLN 826 Cb 0.62 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.34 2c3m h GLN 826 CO 0.03 0.00 -2.16 1.28 -0.67 0.00 0.00 178.83 177.31 2c3m n LEU 827 N -2.38 1.79 0.00 1.46 4.32 -0.89 -4.80 117.00 116.49 2c3m n LEU 827 Ca 0.04 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 2c3m n LEU 827 Cb 0.37 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 2c3m n LEU 827 CO 0.27 0.67 0.08 0.49 -1.22 0.00 0.00 177.39 177.68 2c3m n PHE 828 N -2.90 0.00 -0.30 -1.77 3.01 -0.57 -4.92 117.46 110.00 2c3m n PHE 828 Ca -0.33 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.22 2c3m n PHE 828 Cb 0.95 0.00 0.18 0.00 -0.01 0.00 0.00 39.48 40.59 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 0.11 -1.32 0.13 1.37 0.00 0.07 -1.15 105.19 104.40 2c3m n GLY 829 Ca 0.00 0.88 0.10 0.00 0.00 0.00 0.00 46.02 47.00 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 -5.33 0.14 -0.82 1.61 0.00 -1.26 -2.71 120.64 112.28 2c3m n GLU 830 Ca 0.16 0.51 0.04 0.00 0.00 0.00 0.00 57.16 57.88 2c3m n GLU 830 Cb 0.53 -1.86 0.07 0.00 0.00 0.00 0.00 31.44 30.17 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 -2.14 0.48 -4.11 3.44 1.85 -0.30 -4.34 116.66 111.54 2c3m n ARG 831 Ca 0.00 -2.02 -0.28 0.00 -1.00 0.00 0.00 57.85 54.55 2c3m n ARG 831 Cb 0.12 -0.67 -0.07 0.00 -1.05 0.00 0.00 32.46 30.79 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 -1.02 2.71 0.01 2.89 0.23 -1.14 -0.15 119.30 122.83 2c3m s MET 832 Ca 0.24 -0.87 0.03 0.00 -1.03 0.00 0.00 55.69 54.06 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 -0.07 0.51 -0.06 -0.06 -2.03 0.00 0.00 175.02 173.31 2c3m s PHE 833 N -1.56 2.90 -0.11 3.16 0.40 -0.25 -1.68 117.98 120.84 2c3m s PHE 833 Ca 0.29 -0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.57 2c3m s PHE 833 Cb -0.11 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.85 2c3m s PHE 833 CO 0.21 0.38 -0.03 0.42 0.70 0.00 0.00 175.22 176.90 2c3m s ILE 834 N -1.01 0.71 -0.44 0.64 1.01 0.47 -0.75 121.20 121.83 2c3m s ILE 834 Ca 0.17 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 2c3m s ILE 834 Cb -0.11 -0.85 0.06 0.00 0.01 0.00 0.00 42.46 41.57 2c3m s ILE 834 CO 0.08 0.24 0.33 0.00 0.00 0.00 0.00 174.94 175.59 2c3m s ALA 835 N 1.83 3.45 -0.24 9.38 0.00 -0.08 -1.06 121.76 135.04 2c3m s ALA 835 Ca 0.04 -2.05 -0.09 0.00 0.00 0.00 0.00 51.96 49.86 2c3m s ALA 835 Cb -0.13 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2c3m s ALA 835 CO -0.07 -1.65 0.12 1.21 0.00 0.00 0.00 175.76 175.38 2c3m s ASN 836 N 2.28 5.76 0.51 0.00 3.84 0.48 -1.40 114.94 126.42 2c3m s ASN 836 Ca 0.04 0.01 -0.20 0.00 0.21 0.00 0.00 52.86 52.92 2c3m s ASN 836 Cb -0.23 -2.03 -0.07 0.00 -0.55 0.00 0.00 41.25 38.36 2c3m s ASN 836 CO 0.06 0.05 1.08 0.00 -2.79 0.00 0.00 177.10 175.49 2c3m s ALA 837 N 1.16 2.79 0.47 1.71 0.00 0.08 -4.03 121.76 123.95 2c3m s ALA 837 Ca 0.06 0.69 -0.24 0.00 0.00 0.00 0.00 51.96 52.47 2c3m s ALA 837 Cb -0.14 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 2c3m s ALA 837 CO 0.05 -0.52 1.37 0.99 0.00 0.00 0.00 175.76 177.65 2c3m s THR 838 N -1.91 2.22 -5.00 0.00 2.01 -1.17 -4.11 115.64 107.68 2c3m s THR 838 Ca 0.69 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.88 2c3m s THR 838 Cb -0.19 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.21 2c3m s THR 838 CO 0.23 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 2c3m n GLY 839 N 0.63 -0.30 0.33 4.40 0.00 -1.26 -4.81 105.19 104.18 2c3m n GLY 839 Ca 0.07 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.65 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 0.60 0.00 0.98 0.00 4.64 -1.91 0.23 113.55 118.09 2c3m h SER 841 Ca 0.56 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.72 2c3m h SER 841 Cb 0.95 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 2c3m h SER 841 CO -0.44 0.14 -1.09 0.77 -0.87 0.00 0.00 176.83 175.34 2c3m h SER 842 N 0.00 0.00 0.01 4.97 4.64 -0.97 -2.13 113.55 120.07 2c3m h SER 842 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2c3m h SER 842 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2c3m h SER 842 CO 0.02 0.65 -0.17 0.40 -0.87 0.00 0.00 176.83 176.85 2c3m h ILE 843 N 0.00 1.63 0.00 0.95 1.08 0.01 -0.35 117.51 120.83 2c3m h ILE 843 Ca -0.10 -2.09 -0.04 0.00 -0.39 0.00 0.00 64.86 62.24 2c3m h ILE 843 Cb 1.58 3.01 -0.01 0.00 -3.07 0.00 0.00 36.82 38.34 2c3m h ILE 843 CO 0.07 0.56 -0.18 4.11 -0.69 0.00 0.00 178.15 182.02 2c3m h TRP 844 N -0.70 0.00 0.00 1.37 5.08 -0.75 -2.88 115.95 118.07 2c3m h TRP 844 Ca -0.03 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 59.75 2c3m h TRP 844 Cb 1.01 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.16 2c3m h TRP 844 CO 0.21 0.18 -0.87 0.78 -1.28 0.00 0.00 178.44 177.46 2c3m h GLY 845 N 3.43 0.21 -5.04 11.11 0.00 -1.41 -3.33 103.07 108.03 2c3m h GLY 845 Ca -0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 47.33 46.72 2c3m h GLY 845 CO 0.02 0.32 -0.57 0.00 0.00 0.00 0.00 176.54 176.32 2c3m n ALA 846 N -2.46 2.17 -2.58 3.60 0.00 -0.14 -4.27 120.51 116.82 2c3m n ALA 846 Ca -0.03 -1.72 -0.43 0.00 0.00 0.00 0.00 53.44 51.26 2c3m n ALA 846 Cb 0.81 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.80 6.58 0.47 0.00 0.01 -1.09 -4.93 113.70 112.93 2c3m s SER 847 Ca 0.21 0.35 -0.24 0.00 1.31 0.00 0.00 55.95 57.58 2c3m s SER 847 Cb 0.42 -2.43 -0.08 0.00 0.21 0.00 0.00 66.02 64.13 2c3m s SER 847 CO -0.07 -0.86 1.29 0.00 0.41 0.00 0.00 173.24 174.01 2c3m n ALA 848 N 6.74 1.37 0.50 1.44 0.00 -1.26 -1.45 120.51 127.84 2c3m n ALA 848 Ca 0.05 0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.80 2c3m n ALA 848 Cb 0.48 -2.29 0.26 0.00 0.00 0.00 0.00 19.45 17.91 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 2.20 -2.87 0.00 -0.04 -1.26 -5.02 135.00 127.72 2c3m n PRO 849 Ca 0.08 -1.85 -0.43 0.00 -0.04 0.00 0.00 63.50 61.26 2c3m n PRO 849 Cb 0.41 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.25 6.55 -0.36 3.54 0.15 -0.53 -4.82 113.70 116.99 2c3m s SER 850 Ca 0.36 0.27 -0.04 0.00 0.70 0.00 0.00 55.95 57.24 2c3m s SER 850 Cb 0.20 -2.43 0.07 0.00 -1.71 0.00 0.00 66.02 62.15 2c3m s SER 850 CO 0.27 -0.90 0.12 -0.04 1.20 0.00 0.00 173.24 173.90 2c3m s MET 851 N 3.44 2.35 0.31 5.44 -1.94 -1.26 -3.85 119.30 123.79 2c3m s MET 851 Ca 0.35 -1.45 0.15 0.00 -1.71 0.00 0.00 55.69 53.03 2c3m s MET 851 Cb -0.12 -3.45 0.35 0.00 2.01 0.00 0.00 34.83 33.62 2c3m s MET 851 CO 0.21 -0.82 1.58 -1.00 -0.01 0.00 0.00 175.02 174.98 2c3m h PRO 852 N 8.12 0.00 -6.80 2.03 0.13 -1.78 -2.69 132.00 131.01 2c3m h PRO 852 Ca -0.19 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.43 2c3m h PRO 852 Cb 1.06 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.23 2c3m h PRO 852 CO 0.63 0.51 0.55 0.71 -0.23 0.00 0.00 178.00 180.18 2c3m s TYR 853 N -3.29 3.36 0.29 1.56 1.51 -1.26 -1.20 117.35 118.32 2c3m s TYR 853 Ca 0.01 1.53 0.04 0.00 -1.01 0.00 0.00 57.07 57.65 2c3m s TYR 853 Cb 0.10 -3.46 -0.03 0.00 -0.11 0.00 0.00 41.96 38.46 2c3m s TYR 853 CO 0.73 -1.16 0.21 -1.59 -1.11 0.00 0.00 175.55 172.62 2c3m s LYS 854 N -1.30 1.57 0.27 -0.62 -2.85 -0.60 0.75 119.74 116.97 2c3m s LYS 854 Ca 0.48 -1.89 0.06 0.00 -1.00 0.00 0.00 55.97 53.62 2c3m s LYS 854 Cb -0.35 0.22 -0.02 0.00 -2.06 0.00 0.00 37.83 35.61 2c3m s LYS 854 CO 0.44 -0.54 0.37 0.95 0.10 0.00 0.00 175.35 176.67 2c3m s THR 855 N -3.68 4.73 0.00 3.79 -4.23 -1.26 -4.33 115.64 110.66 2c3m s THR 855 Ca 0.39 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 2c3m s THR 855 Cb 0.04 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.24 2c3m s THR 855 CO 0.21 -0.27 0.00 -0.46 -0.54 0.00 0.00 174.62 173.55 2c3m n ASN 856 N -1.45 0.00 0.09 3.99 0.23 0.14 -4.87 115.26 113.40 2c3m n ASN 856 Ca -0.06 -0.95 0.08 0.00 -0.53 0.00 0.00 54.58 53.13 2c3m n ASN 856 Cb 0.58 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.66 2c3m n ASN 856 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2c3m n ARG 857 N -0.95 0.10 -0.18 -3.83 1.85 -1.26 -1.76 116.66 110.64 2c3m n ARG 857 Ca 0.00 0.48 0.10 0.00 -1.00 0.00 0.00 57.85 57.43 2c3m n ARG 857 Cb 0.00 -1.76 0.19 0.00 -1.05 0.00 0.00 32.46 29.84 2c3m n ARG 857 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2c3m n LEU 858 N -1.96 3.18 0.00 2.89 7.99 -1.26 -4.95 117.00 122.89 2c3m n LEU 858 Ca 0.01 -1.58 0.00 0.00 -0.01 0.00 0.00 56.01 54.43 2c3m n LEU 858 Cb 0.11 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 2c3m n LEU 858 CO 0.11 0.71 0.00 0.61 -1.51 0.00 0.00 177.39 177.31 2c3m n GLY 859 N 1.19 0.57 3.88 -0.72 0.00 -0.72 -5.04 105.19 104.34 2c3m n GLY 859 Ca 0.16 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.28 3.60 0.09 1.61 -0.21 -1.26 -4.78 119.66 118.43 2c3m s GLN 860 Ca 0.00 -0.02 -0.27 0.00 0.02 0.00 0.00 55.36 55.09 2c3m s GLN 860 Cb 0.00 -3.11 0.08 0.00 1.00 0.00 0.00 33.01 30.98 2c3m s GLN 860 CO 0.00 0.68 1.07 0.20 -2.12 0.00 0.00 175.29 175.12 2c3m s GLY 861 N -1.50 -0.30 0.17 3.09 0.00 -1.26 0.27 107.32 107.78 2c3m s GLY 861 Ca 0.25 0.36 -0.32 0.00 0.00 0.00 0.00 44.72 45.01 2c3m s GLY 861 CO 0.14 0.06 1.72 -1.05 0.00 0.00 0.00 173.10 173.97 2c3m n PRO 862 N -0.47 2.62 -2.93 2.90 -0.02 -1.10 -4.71 135.00 131.29 2c3m n PRO 862 Ca -0.07 0.95 -0.43 0.00 -2.02 0.00 0.00 63.50 61.93 2c3m n PRO 862 Cb 0.61 -2.79 -0.05 0.00 -0.02 0.00 0.00 33.50 31.26 2c3m n PRO 862 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c3m s ALA 863 N 1.59 3.24 -0.08 3.55 0.00 -0.67 -4.95 121.76 124.44 2c3m s ALA 863 Ca 0.78 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 2c3m s ALA 863 Cb -0.55 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 2c3m s ALA 863 CO 0.35 -2.14 -0.01 -0.46 0.00 0.00 0.00 175.76 173.50 2c3m s TRP 864 N 3.51 3.12 -0.15 0.00 -0.00 -1.26 -0.40 118.94 123.76 2c3m s TRP 864 Ca 0.28 0.17 -0.18 0.00 -0.00 0.00 0.00 56.10 56.37 2c3m s TRP 864 Cb -0.13 -1.77 0.05 0.00 -0.00 0.00 0.00 33.47 31.61 2c3m s TRP 864 CO 0.20 0.45 0.49 0.20 -0.00 0.00 0.00 176.95 178.28 2c3m s GLY 865 N -0.88 -0.36 -0.23 5.86 0.00 -0.22 -4.97 107.32 106.52 2c3m s GLY 865 Ca 0.13 1.25 -0.02 0.00 0.00 0.00 0.00 44.72 46.09 2c3m s GLY 865 CO 0.02 1.05 -0.09 0.21 0.00 0.00 0.00 173.10 174.29 2c3m s ASN 866 N -0.06 4.04 0.00 1.64 2.47 -1.26 -0.38 114.94 121.38 2c3m s ASN 866 Ca -0.03 -0.70 0.00 0.00 0.42 0.00 0.00 52.86 52.55 2c3m s ASN 866 Cb -0.03 -1.64 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 2c3m s ASN 866 CO 0.02 -0.07 0.00 -0.24 -3.72 0.00 0.00 177.10 173.09 2c3m n SER 867 N 4.69 0.00 -2.61 -4.21 2.88 -1.26 -5.01 113.62 108.10 2c3m n SER 867 Ca -0.18 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.23 2c3m n SER 867 Cb 0.49 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.46 0.00 0.11 2.46 4.77 -1.26 -4.98 117.00 117.63 2c3m n LEU 868 Ca 0.00 -1.75 -0.19 0.00 -0.03 0.00 0.00 56.01 54.05 2c3m n LEU 868 Cb 0.00 0.70 -0.15 0.00 -2.33 0.00 0.00 43.42 41.64 2c3m n LEU 868 CO 0.00 -0.28 -0.18 0.15 -1.33 0.00 0.00 177.39 175.76 2c3m h PHE 869 N 1.45 0.63 0.00 -1.77 3.57 -1.93 -3.10 116.94 115.80 2c3m h PHE 869 Ca -0.16 -0.46 0.00 0.00 3.53 0.00 0.00 57.97 60.88 2c3m h PHE 869 Cb 0.67 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2c3m h PHE 869 CO 0.00 1.40 -0.41 -0.85 -2.23 0.00 0.00 178.31 176.22 2c3m n GLU 870 N -3.57 0.17 -0.15 1.11 0.00 -1.26 -4.42 120.64 112.52 2c3m n GLU 870 Ca -0.13 0.07 0.05 0.00 0.00 0.00 0.00 57.16 57.15 2c3m n GLU 870 Cb 1.05 -1.63 0.12 0.00 0.00 0.00 0.00 31.44 30.98 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 -1.89 2.71 -0.25 -1.84 3.85 -1.26 -4.40 116.55 113.46 2c3m n ASP 871 Ca 0.05 -2.38 0.05 0.00 -0.71 0.00 0.00 54.79 51.79 2c3m n ASP 871 Cb 0.40 -0.25 0.16 0.00 -1.35 0.00 0.00 41.12 40.07 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 0.98 0.79 -0.08 2.12 0.00 -1.77 0.88 119.26 122.19 2c3m h ALA 872 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2c3m h ALA 872 Cb 0.84 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2c3m h ALA 872 CO 0.04 -0.41 0.04 0.00 0.00 0.00 0.00 179.25 178.92 2c3m h ALA 873 N 1.68 0.10 -0.56 0.00 0.00 -1.90 -1.33 119.26 117.26 2c3m h ALA 873 Ca 0.41 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2c3m h ALA 873 Cb 0.71 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2c3m h ALA 873 CO -0.63 -0.35 0.16 0.93 0.00 0.00 0.00 179.25 179.36 2c3m h GLU 874 N 0.01 0.85 -0.10 0.00 3.07 -1.61 0.23 114.58 117.04 2c3m h GLU 874 Ca 0.03 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 58.72 2c3m h GLU 874 Cb 0.10 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 2c3m h GLU 874 CO -0.00 0.75 0.06 -0.92 -1.40 0.00 0.00 179.01 177.49 2c3m h TYR 875 N 0.82 0.13 -0.39 4.33 3.20 -0.68 -0.09 116.97 124.30 2c3m h TYR 875 Ca 0.18 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 2c3m h TYR 875 Cb 0.27 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 2c3m h TYR 875 CO 0.02 0.14 -0.07 0.78 -1.64 0.00 0.00 178.16 177.38 2c3m h GLY 876 N 0.09 0.71 1.30 1.82 0.00 -0.78 -2.06 103.07 104.16 2c3m h GLY 876 Ca 0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 2c3m h GLY 876 CO -0.01 0.45 0.33 -2.75 0.00 0.00 0.00 176.54 174.56 2c3m h PHE 877 N 0.61 0.90 -0.56 5.60 3.57 -0.06 -1.47 116.94 125.52 2c3m h PHE 877 Ca 0.11 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 2c3m h PHE 877 Cb 0.49 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2c3m h PHE 877 CO 0.02 0.64 0.10 0.78 -2.23 0.00 0.00 178.31 177.63 2c3m h GLY 878 N 0.98 0.99 1.01 2.40 0.00 -0.35 0.33 103.07 108.43 2c3m h GLY 878 Ca 0.23 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2c3m h GLY 878 CO -0.03 0.60 0.55 -0.33 0.00 0.00 0.00 176.54 177.33 2c3m h MET 879 N 0.81 1.12 -0.63 4.80 2.86 -0.88 -0.47 114.93 122.55 2c3m h MET 879 Ca 0.17 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 2c3m h MET 879 Cb 0.40 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 2c3m h MET 879 CO 0.01 0.76 0.18 -0.97 1.06 0.00 0.00 176.91 177.94 2c3m h ASN 880 N 1.15 0.90 -0.60 1.22 -0.73 -0.81 -1.68 115.58 115.03 2c3m h ASN 880 Ca 0.31 -0.16 -0.06 0.00 1.87 0.00 0.00 56.30 58.25 2c3m h ASN 880 Cb -0.11 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.22 2c3m h ASN 880 CO -0.06 0.86 0.13 0.24 -0.37 0.00 0.00 177.43 178.22 2c3m h MET 881 N 0.93 0.97 -0.10 6.67 2.86 -0.04 -0.12 114.93 126.10 2c3m h MET 881 Ca 0.20 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2c3m h MET 881 Cb 0.29 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2c3m h MET 881 CO -0.01 0.90 0.06 1.03 1.06 0.00 0.00 176.91 179.95 2c3m h SER 882 N 0.88 0.13 -0.89 1.22 0.87 -0.82 -0.95 113.55 113.98 2c3m h SER 882 Ca 0.19 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2c3m h SER 882 Cb 0.38 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 2c3m h SER 882 CO 0.01 0.18 0.59 0.24 -0.53 0.00 0.00 176.83 177.32 2c3m h MET 883 N 0.07 1.18 0.15 2.24 2.86 -1.11 0.16 114.93 120.48 2c3m h MET 883 Ca 0.04 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2c3m h MET 883 Cb 0.08 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 2c3m h MET 883 CO -0.01 0.78 -0.09 0.35 1.06 0.00 0.00 176.91 179.01 2c3m h PHE 884 N 1.21 -0.23 -0.06 -0.22 3.57 -0.72 0.68 116.94 121.18 2c3m h PHE 884 Ca 0.33 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 2c3m h PHE 884 Cb -0.14 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 2c3m h PHE 884 CO -0.01 -0.14 0.04 0.00 -2.23 0.00 0.00 178.31 175.97 2c3m h ALA 885 N 0.62 0.08 -0.27 2.41 0.00 -0.74 -0.69 119.26 120.68 2c3m h ALA 885 Ca -0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2c3m h ALA 885 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2c3m h ALA 885 CO 0.02 -0.40 -0.48 0.00 0.00 0.00 0.00 179.25 178.39 2c3m h ARG 886 N 0.05 0.71 0.00 0.00 3.08 -0.66 -1.81 114.38 115.75 2c3m h ARG 886 Ca 0.02 -0.41 -0.09 0.00 0.07 0.00 0.00 59.98 59.57 2c3m h ARG 886 Cb 0.03 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2c3m h ARG 886 CO -0.00 1.03 -0.44 0.00 -1.07 0.00 0.00 179.97 179.49 2c3m h ARG 887 N 0.57 0.00 -0.15 0.04 3.08 -0.86 -1.03 114.38 116.03 2c3m h ARG 887 Ca 0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 2c3m h ARG 887 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2c3m h ARG 887 CO 0.10 0.44 -0.54 1.15 -1.07 0.00 0.00 179.97 180.05 2c3m h THR 888 N 0.00 1.34 -0.38 2.04 2.02 -1.00 -0.08 112.91 116.84 2c3m h THR 888 Ca -0.00 -1.81 -0.07 0.00 0.77 0.00 0.00 66.41 65.30 2c3m h THR 888 Cb 1.14 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 2c3m h THR 888 CO 0.06 0.55 -0.03 -0.74 0.37 0.00 0.00 175.52 175.73 2c3m h HIS 889 N 0.34 0.77 -0.17 3.16 -0.00 -0.95 -0.95 115.15 117.35 2c3m h HIS 889 Ca 0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 2c3m h HIS 889 Cb 1.06 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 28.26 2c3m h HIS 889 CO 0.04 0.81 0.11 1.25 -0.00 0.00 0.00 177.93 180.13 2c3m h LEU 890 N 0.52 0.20 -1.10 0.26 5.85 -0.92 -1.78 115.31 118.34 2c3m h LEU 890 Ca 0.10 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.85 2c3m h LEU 890 Cb 0.52 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 2c3m h LEU 890 CO 0.03 0.17 0.61 0.00 -0.34 0.00 0.00 178.44 178.91 2c3m h ALA 891 N 1.04 1.44 -0.31 1.25 0.00 -0.84 0.88 119.26 122.72 2c3m h ALA 891 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2c3m h ALA 891 Cb -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2c3m h ALA 891 CO -0.01 0.45 0.19 0.22 0.00 0.00 0.00 179.25 180.10 2c3m h ASP 892 N 1.13 0.37 -0.72 0.00 -0.00 -0.71 -0.69 116.42 115.80 2c3m h ASP 892 Ca 0.39 -0.04 -0.06 0.00 -0.00 0.00 0.00 57.03 57.31 2c3m h ASP 892 Cb 0.09 -0.09 -0.03 0.00 -0.00 0.00 0.00 39.33 39.30 2c3m h ASP 892 CO -0.13 0.30 0.21 -0.07 -0.00 0.00 0.00 179.24 179.55 2c3m h LEU 893 N 0.40 1.07 -0.16 2.28 4.07 -0.49 -1.37 115.31 121.12 2c3m h LEU 893 Ca 0.11 -0.21 0.02 0.00 0.08 0.00 0.00 57.88 57.88 2c3m h LEU 893 Cb -0.00 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.44 2c3m h LEU 893 CO -0.02 1.00 0.03 0.00 -1.08 0.00 0.00 178.44 178.37 2c3m h ALA 894 N 1.14 0.16 -0.66 1.53 0.00 -0.45 0.16 119.26 121.14 2c3m h ALA 894 Ca 0.23 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2c3m h ALA 894 Cb 0.33 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2c3m h ALA 894 CO -0.00 -0.41 0.42 0.00 0.00 0.00 0.00 179.25 179.25 2c3m h ALA 895 N 1.11 0.85 -0.79 0.00 0.00 -0.87 -1.21 119.26 118.36 2c3m h ALA 895 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2c3m h ALA 895 Cb 0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2c3m h ALA 895 CO -0.09 0.19 0.40 0.87 0.00 0.00 0.00 179.25 180.62 2c3m h LYS 896 N 0.82 1.11 0.00 0.00 1.57 -0.72 -1.77 116.57 117.59 2c3m h LYS 896 Ca 0.26 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2c3m h LYS 896 Cb -0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 2c3m h LYS 896 CO -0.09 0.84 -0.18 0.00 -0.57 0.00 0.00 179.45 179.45 2c3m h ALA 897 N 1.33 1.14 0.00 3.86 0.00 0.23 -2.10 119.26 123.72 2c3m h ALA 897 Ca 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2c3m h ALA 897 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2c3m h ALA 897 CO -0.04 0.22 -0.18 -0.07 0.00 0.00 0.00 179.25 179.19 2c3m h LEU 898 N 0.00 0.00 -3.88 0.00 3.38 -0.34 -3.00 115.31 111.47 2c3m h LEU 898 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2c3m h LEU 898 Cb 0.55 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.00 2c3m h LEU 898 CO 0.02 0.18 0.40 -0.62 0.09 0.00 0.00 178.44 178.51 2c3m n GLU 899 N -3.24 2.71 -1.91 1.13 1.02 -0.79 -4.93 120.64 114.63 2c3m n GLU 899 Ca 0.01 -3.41 0.00 0.00 -0.02 0.00 0.00 57.16 53.74 2c3m n GLU 899 Cb 0.47 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 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 -0.94 0.73 -2.14 1.62 3.41 -1.13 -5.04 113.62 110.13 2c3m n SER 900 Ca 0.55 -0.95 -0.25 0.00 -0.26 0.00 0.00 58.87 57.96 2c3m n SER 900 Cb 0.92 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 65.00 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 -2.17 5.09 -4.75 4.04 3.85 -1.26 -4.98 116.55 116.36 2c3m n ASP 901 Ca 0.00 -3.50 -0.37 0.00 -0.71 0.00 0.00 54.79 50.22 2c3m n ASP 901 Cb 0.00 -0.87 0.04 0.00 -1.35 0.00 0.00 41.12 38.93 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 -3.09 2.60 0.97 2.12 0.00 -1.26 -4.95 121.76 118.15 2c3m s ALA 902 Ca 0.53 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 53.44 2c3m s ALA 902 Cb 0.43 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 20.15 2c3m s ALA 902 CO 0.06 -1.21 0.54 -1.13 0.00 0.00 0.00 175.76 174.01 2c3m n SER 903 N -1.45 -1.62 -0.31 0.00 3.41 -1.26 -4.70 113.62 107.69 2c3m n SER 903 Ca 0.13 0.27 -0.04 0.00 -0.26 0.00 0.00 58.87 58.97 2c3m n SER 903 Cb 0.49 -1.24 0.08 0.00 -0.26 0.00 0.00 64.21 63.28 2c3m n SER 903 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2c3m h GLY 904 N -1.74 1.22 1.01 5.00 0.00 -2.00 -1.78 103.07 104.79 2c3m h GLY 904 Ca -0.45 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.33 2c3m h GLY 904 CO 0.37 0.49 0.23 -0.55 0.00 0.00 0.00 176.54 177.08 2c3m h ASP 905 N 1.16 0.90 -0.48 0.19 3.45 -2.00 -1.43 116.42 118.21 2c3m h ASP 905 Ca 0.30 -0.19 -0.05 0.00 0.43 0.00 0.00 57.03 57.52 2c3m h ASP 905 Cb -0.05 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.47 2c3m h ASP 905 CO -0.06 0.84 0.10 0.58 -1.57 0.00 0.00 179.24 179.13 2c3m h VAL 906 N 0.90 1.24 -0.73 -1.35 2.07 -1.83 -2.06 116.25 114.49 2c3m h VAL 906 Ca 0.21 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 2c3m h VAL 906 Cb 0.24 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2c3m h VAL 906 CO -0.01 0.32 0.27 0.11 0.02 0.00 0.00 177.57 178.27 2c3m h LYS 907 N 0.67 1.11 -0.36 1.57 1.57 -1.15 0.10 116.57 120.07 2c3m h LYS 907 Ca 0.15 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2c3m h LYS 907 Cb 0.37 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2c3m h LYS 907 CO 0.01 0.93 0.22 0.93 -0.57 0.00 0.00 179.45 180.97 2c3m h GLU 908 N 1.06 0.44 -0.53 3.15 5.08 -1.06 0.98 114.58 123.71 2c3m h GLU 908 Ca 0.24 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 2c3m h GLU 908 Cb 0.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2c3m h GLU 908 CO -0.01 0.29 -0.05 0.00 -1.00 0.00 0.00 179.01 178.23 2c3m h ALA 909 N 1.15 0.72 -0.45 3.43 0.00 -1.11 -0.36 119.26 122.65 2c3m h ALA 909 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2c3m h ALA 909 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2c3m h ALA 909 CO -0.05 0.58 0.21 -0.07 0.00 0.00 0.00 179.25 179.92 2c3m h LEU 910 N 0.84 0.59 -0.64 0.00 3.38 -0.50 0.17 115.31 119.14 2c3m h LEU 910 Ca 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2c3m h LEU 910 Cb 0.60 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2c3m h LEU 910 CO 0.04 0.55 0.40 -0.61 0.09 0.00 0.00 178.44 178.91 2c3m h GLN 911 N 0.58 0.86 -0.43 1.13 5.75 -0.62 0.13 115.11 122.51 2c3m h GLN 911 Ca 0.15 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2c3m h GLN 911 Cb 0.13 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2c3m h GLN 911 CO -0.02 0.60 0.13 0.78 -2.65 0.00 0.00 178.83 177.67 2c3m h GLY 912 N 0.87 0.73 0.98 2.39 0.00 -0.63 -1.52 103.07 105.89 2c3m h GLY 912 Ca 0.23 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 2c3m h GLY 912 CO -0.05 0.41 0.24 -0.25 0.00 0.00 0.00 176.54 176.89 2c3m h TRP 913 N 0.56 0.81 -0.65 5.60 7.01 -0.25 -0.18 115.95 128.85 2c3m h TRP 913 Ca 0.14 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 2c3m h TRP 913 Cb 0.28 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 2c3m h TRP 913 CO 0.01 0.65 0.37 -0.07 -2.79 0.00 0.00 178.44 176.62 2c3m h LEU 914 N 0.74 0.79 -0.18 0.65 3.38 -0.57 0.51 115.31 120.62 2c3m h LEU 914 Ca 0.18 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 2c3m h LEU 914 Cb 0.17 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.73 2c3m h LEU 914 CO -0.02 0.62 -0.84 0.00 0.09 0.00 0.00 178.44 178.29 2c3m h ALA 915 N 1.51 0.33 -0.53 1.53 0.00 -0.86 -3.26 119.26 117.99 2c3m h ALA 915 Ca 0.23 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2c3m h ALA 915 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2c3m h ALA 915 CO -0.04 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.33 2c3m n GLY 916 N 0.77 3.13 0.33 0.00 0.00 -0.12 -4.76 105.19 104.55 2c3m n GLY 916 Ca -0.07 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.06 2c3m n GLY 916 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2c3m n LYS 917 N 0.54 -0.13 -0.85 1.61 4.81 0.17 -0.22 118.16 124.10 2c3m n LYS 917 Ca 0.25 1.37 0.08 0.00 -0.87 0.00 0.00 58.31 59.14 2c3m n LYS 917 Cb 1.02 -2.04 0.40 0.00 0.02 0.00 0.00 35.03 34.44 2c3m n LYS 917 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2c3m n ASN 918 N -5.38 5.59 -4.43 3.14 3.02 -1.26 -4.32 115.26 111.62 2c3m n ASN 918 Ca 0.12 -2.84 -0.37 0.00 -0.03 0.00 0.00 54.58 51.46 2c3m n ASN 918 Cb 0.41 -0.67 -0.12 0.00 -0.61 0.00 0.00 39.78 38.78 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 -0.81 5.18 0.24 6.41 3.68 0.70 -4.96 116.67 127.10 2c3m s ASP 919 Ca 0.54 -0.29 -0.05 0.00 2.13 0.00 0.00 52.55 54.88 2c3m s ASP 919 Cb 0.40 -1.93 0.44 0.00 -1.45 0.00 0.00 42.92 40.39 2c3m s ASP 919 CO 0.18 -0.07 1.71 -0.65 0.13 0.00 0.00 175.17 176.47 2c3m h PRO 920 N 8.25 0.33 0.35 4.34 0.11 -1.87 0.44 132.00 143.95 2c3m h PRO 920 Ca -0.37 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 2c3m h PRO 920 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2c3m h PRO 920 CO 0.58 0.22 -0.17 0.82 -0.21 0.00 0.00 178.00 179.25 2c3m h ILE 921 N 0.34 0.40 -0.52 4.15 1.08 -1.94 -3.13 117.51 117.89 2c3m h ILE 921 Ca 0.40 -0.72 -0.11 0.00 -0.39 0.00 0.00 64.86 64.05 2c3m h ILE 921 Cb 0.65 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 2c3m h ILE 921 CO -0.45 0.09 -0.10 0.11 -0.69 0.00 0.00 178.15 177.11 2c3m h LYS 922 N -0.99 0.95 -0.63 2.37 1.79 -1.81 -0.29 116.57 117.97 2c3m h LYS 922 Ca -0.05 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.07 2c3m h LYS 922 Cb 0.51 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 2c3m h LYS 922 CO 0.08 1.00 0.31 0.66 -1.08 0.00 0.00 179.45 180.41 2c3m h SER 923 N 0.85 0.79 -0.05 0.86 4.64 -0.75 -0.84 113.55 119.05 2c3m h SER 923 Ca 0.14 -0.08 -0.20 0.00 -0.47 0.00 0.00 61.79 61.19 2c3m h SER 923 Cb 0.63 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2c3m h SER 923 CO 0.04 0.67 -0.73 0.50 -0.87 0.00 0.00 176.83 176.43 2c3m h LYS 924 N 0.88 0.59 0.14 4.77 3.64 -1.45 0.24 116.57 125.38 2c3m h LYS 924 Ca 0.22 -0.56 0.02 0.00 -1.27 0.00 0.00 60.65 59.05 2c3m h LYS 924 Cb 0.08 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2c3m h LYS 924 CO -0.03 1.18 -0.30 1.49 -2.27 0.00 0.00 179.45 179.52 2c3m h GLU 925 N 0.20 -0.51 0.00 1.90 4.81 -0.58 0.11 114.58 120.50 2c3m h GLU 925 Ca -0.08 0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 2c3m h GLU 925 Cb 1.40 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.88 2c3m h GLU 925 CO 0.15 -0.34 -0.83 1.88 -0.73 0.00 0.00 179.01 179.13 2c3m h TYR 926 N -0.53 0.09 -0.66 0.92 -1.99 -1.26 -2.90 116.97 110.64 2c3m h TYR 926 Ca 0.02 -0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 2c3m h TYR 926 Cb 0.55 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.24 2c3m h TYR 926 CO -0.26 0.86 0.30 0.78 -0.00 0.00 0.00 178.16 179.85 2c3m h GLY 927 N 2.25 1.02 1.51 3.88 0.00 -0.71 -0.35 103.07 110.67 2c3m h GLY 927 Ca -0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 2c3m h GLY 927 CO 0.11 0.49 0.08 -0.55 0.00 0.00 0.00 176.54 176.67 2c3m h ASP 928 N 0.91 0.58 -0.49 0.19 3.32 -0.76 -0.32 116.42 119.84 2c3m h ASP 928 Ca 0.22 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 2c3m h ASP 928 Cb 0.14 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2c3m h ASP 928 CO -0.03 0.60 0.00 0.11 -1.72 0.00 0.00 179.24 178.20 2c3m h LYS 929 N 0.60 0.87 -0.52 3.56 1.57 -1.15 -2.88 116.57 118.63 2c3m h LYS 929 Ca 0.14 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 2c3m h LYS 929 Cb 0.27 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2c3m h LYS 929 CO 0.00 0.90 0.09 -0.07 -0.57 0.00 0.00 179.45 179.80 2c3m h LEU 930 N 0.73 0.77 -1.31 2.94 3.38 -0.45 0.09 115.31 121.45 2c3m h LEU 930 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2c3m h LEU 930 Cb 0.51 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2c3m h LEU 930 CO 0.02 0.78 0.35 0.11 0.09 0.00 0.00 178.44 179.80 2c3m h LYS 931 N 0.78 0.82 0.05 1.13 1.57 -0.87 0.64 116.57 120.68 2c3m h LYS 931 Ca 0.16 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2c3m h LYS 931 Cb 0.35 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2c3m h LYS 931 CO 0.01 0.59 -0.02 0.87 -0.57 0.00 0.00 179.45 180.32 2c3m h LYS 932 N 0.84 -0.06 -0.44 3.15 1.57 -1.25 -2.87 116.57 117.50 2c3m h LYS 932 Ca 0.22 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 2c3m h LYS 932 Cb -0.01 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2c3m h LYS 932 CO -0.04 0.55 0.30 -0.07 -0.57 0.00 0.00 179.45 179.62 2c3m h LEU 933 N -0.91 0.39 -2.37 2.94 3.38 -0.86 -2.63 115.31 115.25 2c3m h LEU 933 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2c3m h LEU 933 Cb 0.64 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2c3m h LEU 933 CO 0.01 0.27 0.00 0.18 0.09 0.00 0.00 178.44 178.99 2c3m n LEU 934 N -4.48 3.41 -4.66 1.67 4.77 0.20 -4.98 117.00 112.93 2c3m n LEU 934 Ca 0.05 -1.56 -0.49 0.00 -0.03 0.00 0.00 56.01 53.98 2c3m n LEU 934 Cb 0.17 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 2c3m n LEU 934 CO 0.35 0.75 1.20 0.00 -1.33 0.00 0.00 177.39 178.36 2c3m n ALA 935 N 1.40 0.54 -0.02 -1.18 0.00 -1.00 -1.06 120.51 119.19 2c3m n ALA 935 Ca 0.19 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2c3m n ALA 935 Cb 0.58 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 3.49 1.71 3.68 0.00 0.00 -1.26 -5.02 105.19 107.78 2c3m n GLY 936 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2c3m n GLY 936 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2c3m s GLN 937 N -0.42 4.27 0.00 1.61 2.00 -0.23 -4.86 119.66 122.04 2c3m s GLN 937 Ca 0.00 1.86 0.00 0.00 -2.00 0.00 0.00 55.36 55.22 2c3m s GLN 937 Cb 0.00 -3.67 0.00 0.00 0.80 0.00 0.00 33.01 30.14 2c3m s GLN 937 CO 0.00 -0.61 0.20 1.63 -0.50 0.00 0.00 175.29 176.01 2c3m n LYS 938 N 5.86 1.06 -4.06 1.67 4.01 -1.26 -4.51 118.16 120.92 2c3m n LYS 938 Ca 0.13 -0.20 -0.33 0.00 -0.51 0.00 0.00 58.31 57.40 2c3m n LYS 938 Cb 0.44 -0.63 -0.07 0.00 -0.51 0.00 0.00 35.03 34.26 2c3m n LYS 938 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2c3m s ASP 939 N -0.21 5.79 0.34 4.39 -0.00 -1.26 -4.72 116.67 121.00 2c3m s ASP 939 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 52.55 52.72 2c3m s ASP 939 Cb 0.00 -1.69 0.00 0.00 -0.00 0.00 0.00 42.92 41.23 2c3m s ASP 939 CO 0.00 0.27 0.00 0.61 -0.00 0.00 0.00 175.17 176.05 2c3m n GLY 940 N 1.10 0.92 0.20 0.21 0.00 -1.26 -1.26 105.19 105.10 2c3m n GLY 940 Ca -0.12 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.48 -2.05 0.99 5.85 -1.99 -1.37 115.31 116.26 2c3m h LEU 941 Ca 0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2c3m h LEU 941 Cb 0.00 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2c3m h LEU 941 CO 0.00 -0.19 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.80 2c3m h LEU 942 N -0.14 0.00 -0.36 2.25 4.07 -1.97 -1.96 115.31 117.21 2c3m h LEU 942 Ca 0.13 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.94 2c3m h LEU 942 Cb 0.33 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 2c3m h LEU 942 CO -0.31 0.04 -0.35 1.23 -1.08 0.00 0.00 178.44 177.97 2c3m h GLY 943 N 0.15 0.94 0.94 0.83 0.00 -0.07 -1.30 103.07 104.56 2c3m h GLY 943 Ca -0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 47.33 46.30 2c3m h GLY 943 CO 0.01 0.87 0.01 1.46 0.00 0.00 0.00 176.54 178.89 2c3m h GLN 944 N 0.66 0.68 -0.83 4.80 4.20 -0.84 -2.26 115.11 121.53 2c3m h GLN 944 Ca 0.06 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 2c3m h GLN 944 Cb 0.94 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.62 2c3m h GLN 944 CO 0.09 0.77 0.41 0.82 -0.67 0.00 0.00 178.83 180.25 2c3m h ILE 945 N 0.51 1.25 -0.53 2.54 2.04 -1.38 -2.47 117.51 119.47 2c3m h ILE 945 Ca 0.11 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2c3m h ILE 945 Cb 0.46 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2c3m h ILE 945 CO 0.02 0.30 0.19 0.00 0.00 0.00 0.00 178.15 178.65 2c3m h ALA 946 N 1.28 1.33 0.00 1.87 0.00 -0.98 -2.13 119.26 120.63 2c3m h ALA 946 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2c3m h ALA 946 Cb 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2c3m h ALA 946 CO -0.04 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.70 2c3m n ALA 947 N -2.46 2.17 -1.22 0.00 0.00 -0.87 -3.14 120.51 114.99 2c3m n ALA 947 Ca 0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 2c3m n ALA 947 Cb 0.18 -1.38 0.23 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.34 2.63 0.13 0.00 2.00 -0.80 -4.69 117.12 115.06 2c3m n MET 948 Ca 0.10 -3.07 0.10 0.00 0.00 0.00 0.00 57.70 54.83 2c3m n MET 948 Cb 0.21 -2.02 0.59 0.00 0.00 0.00 0.00 33.22 32.00 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 1.59 0.13 0.00 7.83 4.64 -1.66 -0.16 113.55 125.93 2c3m h SER 949 Ca 0.29 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2c3m h SER 949 Cb 2.09 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 2c3m h SER 949 CO 0.62 0.09 0.00 -0.90 -0.87 0.00 0.00 176.83 175.77 2c3m n ASP 950 N -4.49 0.00 -0.18 4.97 5.68 -1.26 -2.09 116.55 119.18 2c3m n ASP 950 Ca 0.02 -1.20 0.04 0.00 -0.50 0.00 0.00 54.79 53.15 2c3m n ASP 950 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 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 -0.71 1.11 0.45 -2.12 4.77 -0.07 -4.78 117.00 115.65 2c3m n LEU 951 Ca 0.08 -0.80 -0.20 0.00 -0.03 0.00 0.00 56.01 55.06 2c3m n LEU 951 Cb 0.03 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 2c3m n LEU 951 CO 0.06 0.23 0.57 1.88 -1.33 0.00 0.00 177.39 178.80 2c3m h TYR 952 N 0.90 -1.16 -3.64 -1.77 0.99 -1.45 -3.43 116.97 107.41 2c3m h TYR 952 Ca 0.00 -0.02 -0.51 0.00 2.00 0.00 0.00 58.73 60.20 2c3m h TYR 952 Cb 0.26 0.39 -0.01 0.00 1.00 0.00 0.00 36.73 38.37 2c3m h TYR 952 CO 0.00 -0.69 0.39 0.95 -0.00 0.00 0.00 178.16 178.81 2c3m s THR 953 N -6.00 4.14 0.11 -2.88 -4.23 -1.26 -4.66 115.64 100.86 2c3m s THR 953 Ca -0.19 1.92 -0.34 0.00 -1.18 0.00 0.00 61.69 61.90 2c3m s THR 953 Cb 0.03 -4.23 -0.14 0.00 1.34 0.00 0.00 72.50 69.51 2c3m s THR 953 CO 0.61 0.36 1.62 1.17 -0.54 0.00 0.00 174.62 177.84 2c3m n LYS 954 N 2.19 2.09 -3.00 3.99 3.00 -1.26 -4.97 118.16 120.21 2c3m n LYS 954 Ca 0.01 0.76 -0.24 0.00 -0.00 0.00 0.00 58.31 58.84 2c3m n LYS 954 Cb 0.47 -2.53 0.01 0.00 0.00 0.00 0.00 35.03 32.98 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 1.51 3.16 -0.28 1.64 -0.14 -1.26 -4.81 119.74 119.55 2c3m s LYS 955 Ca 0.82 -0.39 0.02 0.00 -1.36 0.00 0.00 55.97 55.06 2c3m s LYS 955 Cb -0.70 -2.55 0.07 0.00 -1.68 0.00 0.00 37.83 32.98 2c3m s LYS 955 CO 0.41 -0.22 -0.03 0.45 -0.76 0.00 0.00 175.35 175.20 2c3m s SER 956 N -4.18 4.33 -0.28 2.83 0.15 0.79 -5.01 113.70 112.33 2c3m s SER 956 Ca 0.47 -1.56 -0.22 0.00 0.70 0.00 0.00 55.95 55.35 2c3m s SER 956 Cb -0.10 -1.41 -0.01 0.00 -1.71 0.00 0.00 66.02 62.79 2c3m s SER 956 CO 0.38 -0.27 0.70 -0.69 1.20 0.00 0.00 173.24 174.56 2c3m s VAL 957 N 1.17 4.90 0.05 4.45 1.01 -1.26 -1.09 120.40 129.63 2c3m s VAL 957 Ca -0.01 1.12 0.08 0.00 0.00 0.00 0.00 61.98 63.17 2c3m s VAL 957 Cb -0.19 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2c3m s VAL 957 CO -0.08 -0.11 -0.21 0.26 0.00 0.00 0.00 175.10 174.97 2c3m s TRP 958 N 2.70 2.49 -0.24 5.22 0.52 0.07 -0.96 118.94 128.74 2c3m s TRP 958 Ca 0.29 -0.30 0.02 0.00 0.02 0.00 0.00 56.10 56.13 2c3m s TRP 958 Cb -0.15 -1.43 0.05 0.00 -1.15 0.00 0.00 33.47 30.79 2c3m s TRP 958 CO 0.10 0.23 -0.14 0.42 0.02 0.00 0.00 176.95 177.59 2c3m s ILE 959 N -0.91 2.14 -0.14 2.03 1.01 0.10 -0.91 121.20 124.52 2c3m s ILE 959 Ca 0.14 -1.42 -0.07 0.00 0.00 0.00 0.00 60.65 59.30 2c3m s ILE 959 Cb -0.10 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2c3m s ILE 959 CO 0.05 0.15 0.11 -0.36 0.00 0.00 0.00 174.94 174.88 2c3m s PHE 960 N 1.16 3.46 0.06 3.97 2.99 -0.49 -0.62 117.98 128.51 2c3m s PHE 960 Ca -0.05 0.39 -0.27 0.00 0.00 0.00 0.00 56.93 57.00 2c3m s PHE 960 Cb -0.18 -1.98 0.09 0.00 0.00 0.00 0.00 43.02 40.95 2c3m s PHE 960 CO -0.07 0.54 0.94 0.20 -0.00 0.00 0.00 175.22 176.83 2c3m s GLY 961 N -0.57 -0.36 0.63 4.36 0.00 -0.98 -0.74 107.32 109.66 2c3m s GLY 961 Ca 0.12 0.63 -0.01 0.00 0.00 0.00 0.00 44.72 45.46 2c3m s GLY 961 CO 0.02 0.19 0.86 0.61 0.00 0.00 0.00 173.10 174.78 2c3m n GLY 962 N -0.35 0.59 0.23 0.20 0.00 -1.26 -0.94 105.19 103.66 2c3m n GLY 962 Ca -0.07 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.54 0.54 -0.50 1.61 2.03 -1.83 -1.83 116.42 115.91 2c3m h ASP 963 Ca -0.28 -0.21 0.02 0.00 -0.73 0.00 0.00 57.03 55.83 2c3m h ASP 963 Cb 1.04 -0.15 -0.03 0.00 -0.83 0.00 0.00 39.33 39.36 2c3m h ASP 963 CO 0.30 0.84 0.30 1.23 -1.03 0.00 0.00 179.24 180.87 2c3m h GLY 964 N 1.05 0.70 0.80 7.15 0.00 -1.91 0.45 103.07 111.31 2c3m h GLY 964 Ca 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2c3m h GLY 964 CO 0.06 0.19 -0.15 -0.25 0.00 0.00 0.00 176.54 176.39 2c3m h TRP 965 N 0.59 -0.40 -0.55 5.60 7.01 -1.86 -1.61 115.95 124.73 2c3m h TRP 965 Ca 0.20 -0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.10 2c3m h TRP 965 Cb 0.01 0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 2c3m h TRP 965 CO -0.07 -0.12 -0.01 0.00 -2.79 0.00 0.00 178.44 175.46 2c3m h ALA 966 N -0.03 0.74 0.00 2.65 0.00 -1.08 0.33 119.26 121.87 2c3m h ALA 966 Ca -0.04 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2c3m h ALA 966 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2c3m h ALA 966 CO 0.07 0.57 -1.29 0.66 0.00 0.00 0.00 179.25 179.27 2c3m n TYR 967 N -4.25 0.94 0.00 0.00 4.02 0.16 -3.71 117.16 114.31 2c3m n TYR 967 Ca 0.02 0.30 0.00 0.00 -0.01 0.00 0.00 57.90 58.20 2c3m n TYR 967 Cb 0.34 -1.02 0.00 0.00 -0.02 0.00 0.00 39.34 38.64 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 -2.78 0.00 -0.35 7.72 10.43 -0.63 -4.75 116.55 126.19 2c3m n ASP 968 Ca -0.06 0.00 0.04 0.00 2.57 0.00 0.00 54.79 57.34 2c3m n ASP 968 Cb 0.72 0.00 0.20 0.00 1.84 0.00 0.00 41.12 43.88 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 0.99 -0.31 0.53 2.10 -1.23 -2.73 117.51 116.86 2c3m h ILE 969 Ca 0.00 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.59 2c3m h ILE 969 Cb 0.00 -0.13 0.00 0.00 -1.09 0.00 0.00 36.82 35.60 2c3m h ILE 969 CO 0.00 0.19 0.00 0.61 -1.08 0.00 0.00 178.15 177.87 2c3m n GLY 970 N -1.35 1.45 0.31 8.18 0.00 0.11 -4.53 105.19 109.37 2c3m n GLY 970 Ca 0.16 -0.70 0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 4.27 0.94 -0.96 1.61 3.20 -1.25 0.98 116.97 125.75 2c3m h TYR 971 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2c3m h TYR 971 Cb 0.93 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 2c3m h TYR 971 CO 0.19 0.46 0.63 0.78 -1.64 0.00 0.00 178.16 178.59 2c3m h GLY 972 N 0.92 1.36 1.30 1.82 0.00 -1.79 0.71 103.07 107.39 2c3m h GLY 972 Ca 0.37 -0.51 -0.23 0.00 0.00 0.00 0.00 47.33 46.95 2c3m h GLY 972 CO -0.18 0.50 -0.89 -1.33 0.00 0.00 0.00 176.54 174.64 2c3m h GLY 973 N 1.31 0.73 0.97 4.60 0.00 -1.69 -2.57 103.07 106.42 2c3m h GLY 973 Ca 0.35 -1.14 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 2c3m h GLY 973 CO -0.08 1.02 0.15 -2.00 0.00 0.00 0.00 176.54 175.63 2c3m h LEU 974 N 0.41 0.30 -0.31 3.11 5.85 -0.48 -0.51 115.31 123.68 2c3m h LEU 974 Ca -0.08 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.62 2c3m h LEU 974 Cb 1.52 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 2c3m h LEU 974 CO 0.17 0.27 0.08 -0.78 -0.34 0.00 0.00 178.44 177.85 2c3m h ASP 975 N 0.31 0.07 -0.60 1.25 1.82 -0.90 -0.64 116.42 117.73 2c3m h ASP 975 Ca 0.09 0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.72 2c3m h ASP 975 Cb 0.03 0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.05 2c3m h ASP 975 CO -0.02 0.07 0.18 -0.74 -1.61 0.00 0.00 179.24 177.13 2c3m h HIS 976 N 0.21 0.98 -0.52 0.28 2.76 -1.21 -0.70 115.15 116.94 2c3m h HIS 976 Ca 0.14 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 2c3m h HIS 976 Cb 0.13 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 2c3m h HIS 976 CO -0.15 0.81 0.14 0.28 -1.30 0.00 0.00 177.93 177.71 2c3m h VAL 977 N 0.86 1.24 -0.56 5.26 2.07 -0.76 -1.76 116.25 122.60 2c3m h VAL 977 Ca 0.19 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 2c3m h VAL 977 Cb 0.30 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2c3m h VAL 977 CO -0.00 0.30 -0.06 -0.07 0.02 0.00 0.00 177.57 177.76 2c3m h LEU 978 N 0.73 1.00 -2.02 2.57 3.38 -1.00 -2.46 115.31 117.50 2c3m h LEU 978 Ca 0.17 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2c3m h LEU 978 Cb 0.31 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2c3m h LEU 978 CO -0.00 1.08 0.00 0.00 0.09 0.00 0.00 178.44 179.61 2c3m h ALA 979 N 1.01 1.00 0.00 1.53 0.00 -0.76 -2.75 119.26 119.30 2c3m h ALA 979 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2c3m h ALA 979 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2c3m h ALA 979 CO 0.04 0.00 -0.15 0.66 0.00 0.00 0.00 179.25 179.80 2c3m h SER 980 N 0.00 0.00 0.00 0.00 4.64 -0.82 -3.47 113.55 113.90 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 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2c3m h SER 980 CO 0.00 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 2c3m n GLY 981 N -0.27 0.76 3.86 -0.77 0.00 -1.04 -5.03 105.19 102.71 2c3m n GLY 981 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.00 3.16 -1.25 1.61 0.41 -1.26 -4.18 118.70 117.18 2c3m s GLU 982 Ca 0.00 0.67 -0.18 0.00 -0.41 0.00 0.00 54.97 55.04 2c3m s GLU 982 Cb 0.00 -2.04 0.08 0.00 -1.78 0.00 0.00 34.13 30.39 2c3m s GLU 982 CO 0.00 -0.87 1.67 0.34 -0.49 0.00 0.00 175.26 175.91 2c3m s ASP 983 N -4.18 6.82 0.15 -0.19 3.68 -1.26 -1.25 116.67 120.44 2c3m s ASP 983 Ca 0.57 -2.37 0.06 0.00 2.13 0.00 0.00 52.55 52.94 2c3m s ASP 983 Cb -0.12 -2.56 -0.04 0.00 -1.45 0.00 0.00 42.92 38.75 2c3m s ASP 983 CO 0.53 -1.17 -0.14 0.68 0.13 0.00 0.00 175.17 175.20 2c3m s VAL 984 N 4.06 1.47 -0.16 1.11 -7.23 -1.24 -4.66 120.40 113.76 2c3m s VAL 984 Ca 0.52 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 2c3m s VAL 984 Cb 0.03 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.25 2c3m s VAL 984 CO 0.05 -0.49 -0.17 0.20 -0.31 0.00 0.00 175.10 174.37 2c3m s ASN 985 N -2.78 2.88 -0.20 4.85 0.01 -0.14 -1.78 114.94 117.79 2c3m s ASN 985 Ca 0.14 -0.56 -0.06 0.00 -0.71 0.00 0.00 52.86 51.67 2c3m s ASN 985 Cb -0.03 -1.32 -0.03 0.00 0.41 0.00 0.00 41.25 40.28 2c3m s ASN 985 CO 0.04 -0.01 0.02 -0.69 -1.51 0.00 0.00 177.10 174.95 2c3m s VAL 986 N 1.28 4.19 -0.26 1.60 1.01 0.23 0.00 120.40 128.45 2c3m s VAL 986 Ca 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 2c3m s VAL 986 Cb -0.13 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.39 2c3m s VAL 986 CO -0.10 0.42 -0.07 0.12 0.00 0.00 0.00 175.10 175.48 2c3m s PHE 987 N 0.95 3.17 -0.26 5.22 5.36 0.21 -0.68 117.98 131.94 2c3m s PHE 987 Ca 0.02 -1.89 -0.10 0.00 -0.96 0.00 0.00 56.93 54.00 2c3m s PHE 987 Cb -0.14 -2.03 -0.04 0.00 -0.34 0.00 0.00 43.02 40.47 2c3m s PHE 987 CO 0.02 -0.80 0.15 0.08 -1.46 0.00 0.00 175.22 173.21 2c3m s VAL 988 N 1.23 5.06 -0.60 3.12 1.01 0.13 -2.32 120.40 128.03 2c3m s VAL 988 Ca -0.04 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 2c3m s VAL 988 Cb -0.18 -3.39 0.11 0.00 0.00 0.00 0.00 36.38 32.92 2c3m s VAL 988 CO -0.04 0.29 0.69 -0.04 0.00 0.00 0.00 175.10 176.01 2c3m s MET 989 N 1.56 3.07 -0.61 2.72 -1.94 -0.12 -0.69 119.30 123.28 2c3m s MET 989 Ca 0.07 -1.42 -0.24 0.00 -1.71 0.00 0.00 55.69 52.39 2c3m s MET 989 Cb -0.15 -4.29 0.05 0.00 2.01 0.00 0.00 34.83 32.44 2c3m s MET 989 CO 0.08 -1.52 1.00 0.34 -0.01 0.00 0.00 175.02 174.91 2c3m s ASP 990 N 3.59 6.27 0.00 3.03 -1.08 -0.20 -3.04 116.67 125.25 2c3m s ASP 990 Ca 0.11 -0.54 0.24 0.00 -0.52 0.00 0.00 52.55 51.85 2c3m s ASP 990 Cb -0.24 -2.45 0.45 0.00 -1.46 0.00 0.00 42.92 39.22 2c3m s ASP 990 CO 0.05 -1.38 1.41 0.35 0.52 0.00 0.00 175.17 176.12 2c3m n THR 991 N 6.16 0.15 -1.95 1.71 -2.24 -1.26 -1.37 114.28 115.48 2c3m n THR 991 Ca 0.00 -0.51 -0.21 0.00 -2.27 0.00 0.00 64.05 61.07 2c3m n THR 991 Cb 0.47 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.73 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 1.09 -1.53 -3.64 -0.78 1.02 -1.26 -4.87 120.64 110.67 2c3m n GLU 992 Ca 0.16 1.13 -0.04 0.00 -0.02 0.00 0.00 57.16 58.39 2c3m n GLU 992 Cb 0.53 -5.63 -0.01 0.00 -0.02 0.00 0.00 31.44 26.31 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 -2.88 0.00 -0.69 2.62 -7.23 -1.26 -3.77 120.40 107.19 2c3m s VAL 993 Ca 0.00 -0.31 -0.25 0.00 -1.81 0.00 0.00 61.98 59.61 2c3m s VAL 993 Cb 0.00 -1.59 0.05 0.00 0.56 0.00 0.00 36.38 35.39 2c3m s VAL 993 CO 0.00 0.00 1.12 -0.31 -0.31 0.00 0.00 175.10 175.60 2c3m s TYR 994 N -2.97 2.49 -0.06 2.82 4.12 0.14 -4.57 117.35 119.32 2c3m s TYR 994 Ca 0.10 -0.23 -0.17 0.00 0.02 0.00 0.00 57.07 56.79 2c3m s TYR 994 Cb -0.00 -4.45 -0.12 0.00 -1.52 0.00 0.00 41.96 35.87 2c3m s TYR 994 CO -0.03 -1.83 0.66 0.77 0.02 0.00 0.00 175.55 175.14 2c3m h SER 995 N 9.77 -0.22 -0.53 2.29 0.02 -1.94 0.34 113.55 123.28 2c3m h SER 995 Ca -0.28 -0.23 0.09 0.00 -0.84 0.00 0.00 61.79 60.53 2c3m h SER 995 Cb 1.06 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 2c3m h SER 995 CO 1.22 0.32 0.36 -0.55 -1.14 0.00 0.00 176.83 177.04 2c3m h ASN 996 N -0.97 0.28 0.22 3.07 7.08 -1.92 -2.10 115.58 121.23 2c3m h ASN 996 Ca -0.03 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 2c3m h ASN 996 Cb 0.44 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.63 2c3m h ASN 996 CO 0.04 0.17 -0.07 0.35 -2.08 0.00 0.00 177.43 175.85 2c3m n THR 997 N -4.46 0.00 0.00 6.14 -2.24 -1.26 -4.89 114.28 107.57 2c3m n THR 997 Ca 0.08 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2c3m n THR 997 Cb 0.37 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.20 1.99 2.71 3.38 0.00 -0.79 -4.86 105.19 108.82 2c3m n GLY 998 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.05 0.05 3.83 -0.02 0.00 0.09 -4.77 105.19 104.32 2c3m n GLY 999 Ca 0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.66 4.15 0.44 1.61 1.11 -1.09 -1.70 119.66 118.53 2c3m s GLN 1000Ca 0.31 1.05 -0.25 0.00 0.01 0.00 0.00 55.36 56.48 2c3m s GLN 1000Cb -0.13 -2.18 -0.08 0.00 -1.01 0.00 0.00 33.01 29.60 2c3m s GLN 1000CO 0.44 -0.08 1.33 0.45 0.01 0.00 0.00 175.29 177.43 2c3m s SER 1001N -2.41 6.03 0.33 5.90 0.15 -0.35 -0.68 113.70 122.66 2c3m s SER 1001Ca 0.61 2.71 0.04 0.00 0.70 0.00 0.00 55.95 60.00 2c3m s SER 1001Cb -0.09 -2.64 -0.06 0.00 -1.71 0.00 0.00 66.02 61.51 2c3m s SER 1001CO 0.18 -1.05 0.05 -0.94 1.20 0.00 0.00 173.24 172.68 2c3m s SER 1002N -0.77 2.46 0.00 5.45 1.04 -1.26 -4.74 113.70 115.88 2c3m s SER 1002Ca 0.61 -1.37 0.14 0.00 0.48 0.00 0.00 55.95 55.81 2c3m s SER 1002Cb -0.39 -0.10 0.70 0.00 0.10 0.00 0.00 66.02 66.33 2c3m s SER 1002CO 0.49 -0.59 1.39 0.29 0.98 0.00 0.00 173.24 175.80 2c3m n LYS 1003N -0.70 0.17 0.03 4.02 5.02 -1.26 -0.95 118.16 124.50 2c3m n LYS 1003Ca -0.02 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 2c3m n LYS 1003Cb 0.66 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 34.39 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 -1.31 3.21 -1.85 7.82 0.00 -1.26 -0.71 120.51 126.40 2c3m n ALA 1004Ca 0.06 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.79 2c3m n ALA 1004Cb 0.12 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.09 2.51 0.66 0.00 2.01 -0.12 -4.73 115.64 112.87 2c3m s THR 1005Ca 0.08 0.42 -0.11 0.00 0.31 0.00 0.00 61.69 62.39 2c3m s THR 1005Cb 0.15 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 2c3m s THR 1005CO 0.71 0.06 1.05 -2.16 -0.69 0.00 0.00 174.62 173.60 2c3m s PRO 1006N -0.24 3.28 0.23 4.92 0.04 -1.26 -3.85 135.00 138.13 2c3m s PRO 1006Ca 0.61 0.67 -0.32 0.00 0.04 0.00 0.00 61.00 62.01 2c3m s PRO 1006Cb -0.44 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 31.93 2c3m s PRO 1006CO 0.43 -0.78 1.56 2.41 0.04 0.00 0.00 177.00 180.66 2c3m n THR 1007N -2.87 0.59 0.00 1.26 -1.04 -1.25 -2.14 114.28 108.82 2c3m n THR 1007Ca 0.06 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2c3m n THR 1007Cb 0.55 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 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 2.76 2.64 3.77 3.41 0.00 0.09 -4.84 105.19 113.02 2c3m n GLY 1008Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.71 3.33 -0.19 4.61 0.00 -0.91 -4.38 121.76 121.50 2c3m s ALA 1009Ca 0.00 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 52.79 2c3m s ALA 1009Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 2c3m s ALA 1009CO 0.00 -0.33 0.22 0.08 0.00 0.00 0.00 175.76 175.73 2c3m s VAL 1010N -1.27 5.35 0.24 0.00 1.01 0.43 -0.87 120.40 125.29 2c3m s VAL 1010Ca 0.50 0.38 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 2c3m s VAL 1010Cb -0.32 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.53 2c3m s VAL 1010CO 0.41 0.39 0.77 0.00 0.00 0.00 0.00 175.10 176.68 2c3m s ALA 1011N 0.55 -1.34 0.27 5.51 0.00 -1.09 -4.79 121.76 120.88 2c3m s ALA 1011Ca 0.12 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 2c3m s ALA 1011Cb -0.12 0.80 -0.12 0.00 0.00 0.00 0.00 23.12 23.67 2c3m s ALA 1011CO 0.02 -1.03 1.54 1.63 0.00 0.00 0.00 175.76 177.92 2c3m n LYS 1012N -0.46 2.50 -1.02 0.00 4.76 -0.69 -0.47 118.16 122.79 2c3m n LYS 1012Ca -0.05 0.89 -0.01 0.00 -2.87 0.00 0.00 58.31 56.27 2c3m n LYS 1012Cb 0.60 -2.64 -0.00 0.00 -1.84 0.00 0.00 35.03 31.14 2c3m n LYS 1012CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2c3m n PHE 1013N 2.13 0.00 -2.73 2.13 3.01 -1.26 -1.22 117.46 119.52 2c3m n PHE 1013Ca 0.10 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.53 2c3m n PHE 1013Cb 0.35 -0.59 0.09 0.00 -0.01 0.00 0.00 39.48 39.32 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 2.65 1.02 4.37 0.00 0.38 -4.91 120.51 125.03 2c3m n ALA 1014Ca -0.01 -1.84 0.09 0.00 0.00 0.00 0.00 53.44 51.68 2c3m n ALA 1014Cb 0.13 -0.87 0.50 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.98 2.09 -0.01 0.00 0.00 -0.98 -1.45 120.51 119.18 2c3m n ALA 1015Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2c3m n ALA 1015Cb 0.84 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.12 2.03 -0.01 0.00 0.00 -1.26 -4.95 120.51 115.20 2c3m n ALA 1016Ca 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2c3m n ALA 1016Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.41 0.85 3.73 0.00 0.00 -0.53 -4.97 105.19 103.86 2c3m n GLY 1017Ca 0.01 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 2.44 2.50 -0.54 1.61 4.81 -0.05 -4.68 118.16 124.27 2c3m n LYS 1018Ca 0.00 0.89 0.08 0.00 -0.87 0.00 0.00 58.31 58.41 2c3m n LYS 1018Cb 0.00 -2.63 0.31 0.00 0.02 0.00 0.00 35.03 32.73 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 1.89 3.54 -4.21 1.64 5.12 -1.26 -0.73 116.66 122.66 2c3m n ARG 1019Ca 0.08 -2.77 -0.17 0.00 -1.93 0.00 0.00 57.85 53.06 2c3m n ARG 1019Cb 0.36 -1.82 -0.13 0.00 -1.16 0.00 0.00 32.46 29.71 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 -2.03 0.77 1.07 0.55 -4.23 -1.26 -5.04 115.64 105.48 2c3m s THR 1020Ca 0.45 -0.88 -0.14 0.00 -1.18 0.00 0.00 61.69 59.94 2c3m s THR 1020Cb 0.31 -0.74 0.23 0.00 1.34 0.00 0.00 72.50 73.63 2c3m s THR 1020CO 0.19 -0.11 1.09 -0.83 -0.54 0.00 0.00 174.62 174.41 2c3m s GLY 1021N -1.11 1.56 0.22 3.99 0.00 -1.26 -3.89 107.32 106.82 2c3m s GLY 1021Ca -0.02 -0.49 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 2c3m s GLY 1021CO 0.01 0.20 1.32 1.25 0.00 0.00 0.00 173.10 175.88 2c3m s LYS 1022N -5.01 4.38 0.21 2.90 2.20 -1.25 -4.78 119.74 118.38 2c3m s LYS 1022Ca 0.67 2.09 -0.31 0.00 -0.36 0.00 0.00 55.97 58.07 2c3m s LYS 1022Cb -0.17 -3.18 -0.10 0.00 -1.51 0.00 0.00 37.83 32.87 2c3m s LYS 1022CO 0.58 -0.26 1.46 0.21 -0.36 0.00 0.00 175.35 176.98 2c3m s LYS 1023N -0.28 4.27 -1.26 4.03 2.20 0.11 -4.91 119.74 123.90 2c3m s LYS 1023Ca 0.56 2.28 -0.10 0.00 -0.36 0.00 0.00 55.97 58.35 2c3m s LYS 1023Cb -0.37 -3.14 0.18 0.00 -1.51 0.00 0.00 37.83 32.98 2c3m s LYS 1023CO 0.40 -0.46 1.77 -3.47 -0.36 0.00 0.00 175.35 173.23 2c3m n ASP 1024N 2.92 5.18 -0.17 1.43 -0.08 -1.26 -4.79 116.55 119.78 2c3m n ASP 1024Ca 0.09 -3.10 -0.03 0.00 -1.51 0.00 0.00 54.79 50.24 2c3m n ASP 1024Cb 0.40 -1.49 0.07 0.00 2.34 0.00 0.00 41.12 42.44 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 8.10 0.21 -0.09 -2.67 5.85 -1.97 -2.07 115.31 122.67 2c3m h LEU 1025Ca 0.37 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.19 2c3m h LEU 1025Cb 0.68 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 2c3m h LEU 1025CO 1.53 0.14 -0.18 0.00 -0.34 0.00 0.00 178.44 179.60 2c3m h ALA 1026N 1.34 -0.15 -0.33 1.25 0.00 -2.00 -1.51 119.26 117.86 2c3m h ALA 1026Ca 0.25 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2c3m h ALA 1026Cb 0.26 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2c3m h ALA 1026CO -0.24 -0.64 -0.04 0.00 0.00 0.00 0.00 179.25 178.32 2c3m h ARG 1027N -0.24 0.53 -0.36 0.00 3.08 -1.91 -1.68 114.38 113.80 2c3m h ARG 1027Ca 0.08 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2c3m h ARG 1027Cb 0.37 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2c3m h ARG 1027CO -0.23 0.59 0.16 0.52 -1.07 0.00 0.00 179.97 179.93 2c3m h MET 1028N 0.50 0.53 -0.13 0.04 2.86 -0.89 -2.81 114.93 115.03 2c3m h MET 1028Ca 0.10 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 2c3m h MET 1028Cb 0.39 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2c3m h MET 1028CO 0.02 0.50 -0.32 0.28 1.06 0.00 0.00 176.91 178.45 2c3m h VAL 1029N 0.44 1.27 0.00 -2.22 2.07 -1.05 -2.64 116.25 114.12 2c3m h VAL 1029Ca 0.12 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2c3m h VAL 1029Cb 0.16 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2c3m h VAL 1029CO -0.01 0.39 0.00 0.23 0.02 0.00 0.00 177.57 178.20 2c3m n MET 1030N -4.10 0.05 0.24 1.57 2.00 -0.65 -2.09 117.12 114.14 2c3m n MET 1030Ca -0.01 0.39 0.16 0.00 0.00 0.00 0.00 57.70 58.23 2c3m n MET 1030Cb 0.41 -1.61 0.60 0.00 0.00 0.00 0.00 33.22 32.63 2c3m n MET 1030CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 2c3m h THR 1031N 0.00 0.00 -0.38 2.03 1.35 -1.42 -2.94 112.91 111.55 2c3m h THR 1031Ca 0.00 -0.48 -0.14 0.00 -0.55 0.00 0.00 66.41 65.24 2c3m h THR 1031Cb 0.18 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 2c3m h THR 1031CO 0.00 0.00 -0.31 1.88 -0.25 0.00 0.00 175.52 176.84 2c3m h TYR 1032N 0.00 0.98 0.00 4.73 0.05 -1.62 -3.47 116.97 117.64 2c3m h TYR 1032Ca 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2c3m h TYR 1032Cb 0.52 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2c3m h TYR 1032CO 0.00 1.04 0.00 0.41 -1.05 0.00 0.00 178.16 178.56 2c3m n GLY 1033N -0.04 2.94 0.69 3.88 0.00 -1.11 -4.76 105.19 106.80 2c3m n GLY 1033Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.39 0.58 -4.68 1.61 0.18 -1.26 -4.57 117.16 107.63 2c3m n TYR 1034Ca 0.00 -0.59 -0.33 0.00 1.88 0.00 0.00 57.90 58.86 2c3m n TYR 1034Cb 0.00 -0.10 -0.14 0.00 -0.38 0.00 0.00 39.34 38.72 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 -1.46 3.29 0.07 -3.48 1.01 -1.26 -4.52 120.40 114.06 2c3m s VAL 1035Ca 0.28 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 2c3m s VAL 1035Cb 0.17 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 2c3m s VAL 1035CO 0.14 0.52 1.15 -0.47 0.00 0.00 0.00 175.10 176.44 2c3m s TYR 1036N 0.28 3.50 -0.02 5.22 5.04 -0.30 -4.71 117.35 126.37 2c3m s TYR 1036Ca -0.08 1.41 0.01 0.00 -2.44 0.00 0.00 57.07 55.97 2c3m s TYR 1036Cb -0.15 -3.35 0.01 0.00 0.35 0.00 0.00 41.96 38.82 2c3m s TYR 1036CO 0.05 -0.97 -0.04 0.08 -1.34 0.00 0.00 175.55 173.32 2c3m s VAL 1037N 0.84 0.39 0.05 3.14 1.01 -0.64 -0.45 120.40 124.74 2c3m s VAL 1037Ca 0.56 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.20 2c3m s VAL 1037Cb -0.28 -0.38 0.05 0.00 0.00 0.00 0.00 36.38 35.77 2c3m s VAL 1037CO 0.30 0.15 0.48 0.00 0.00 0.00 0.00 175.10 176.03 2c3m s ALA 1038N 0.34 -1.22 0.09 5.51 0.00 -0.58 0.11 121.76 126.02 2c3m s ALA 1038Ca -0.04 0.47 0.10 0.00 0.00 0.00 0.00 51.96 52.49 2c3m s ALA 1038Cb -0.07 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 2c3m s ALA 1038CO -0.00 -0.50 -0.25 0.95 0.00 0.00 0.00 175.76 175.95 2c3m s THR 1039N -2.55 2.08 0.11 0.00 -4.23 -0.72 -1.19 115.64 109.15 2c3m s THR 1039Ca -0.05 -1.55 -0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2c3m s THR 1039Cb -0.01 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 2c3m s THR 1039CO -0.03 0.17 0.02 0.68 -0.54 0.00 0.00 174.62 174.93 2c3m s VAL 1040N -0.96 0.24 -0.29 2.29 -7.23 -0.55 -3.93 120.40 109.97 2c3m s VAL 1040Ca 0.12 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 2c3m s VAL 1040Cb -0.10 -1.90 0.18 0.00 0.56 0.00 0.00 36.38 35.12 2c3m s VAL 1040CO 0.04 -0.62 0.53 -0.55 -0.31 0.00 0.00 175.10 174.18 2c3m s SER 1041N -3.03 -0.90 0.21 4.85 0.15 -1.26 -2.31 113.70 111.40 2c3m s SER 1041Ca 0.19 0.14 -0.14 0.00 0.70 0.00 0.00 55.95 56.84 2c3m s SER 1041Cb 0.07 1.73 0.23 0.00 -1.71 0.00 0.00 66.02 66.35 2c3m s SER 1041CO -0.01 -0.31 1.62 -0.03 1.20 0.00 0.00 173.24 175.71 2c3m h MET 1042N 8.06 -0.01 -0.56 5.44 4.05 -1.86 -1.06 114.93 128.99 2c3m h MET 1042Ca -0.08 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.49 2c3m h MET 1042Cb 1.16 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.94 2c3m h MET 1042CO 0.21 -0.01 0.39 0.78 0.23 0.00 0.00 176.91 178.52 2c3m h GLY 1043N -0.01 0.18 0.04 1.39 0.00 -1.84 -2.83 103.07 100.00 2c3m h GLY 1043Ca 0.30 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 2c3m h GLY 1043CO -0.65 0.02 -0.01 -1.82 0.00 0.00 0.00 176.54 174.08 2c3m h TYR 1044N 0.11 -0.02 -2.24 5.60 3.20 -1.36 -3.36 116.97 118.90 2c3m h TYR 1044Ca 0.27 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.99 2c3m h TYR 1044Cb 0.91 0.01 -0.29 0.00 1.54 0.00 0.00 36.73 38.89 2c3m h TYR 1044CO -0.00 0.56 -0.45 0.45 -1.64 0.00 0.00 178.16 177.08 2c3m s SER 1045N -5.90 0.12 0.22 -2.11 0.15 -0.99 -5.00 113.70 100.20 2c3m s SER 1045Ca -0.12 0.52 0.05 0.00 0.70 0.00 0.00 55.95 57.11 2c3m s SER 1045Cb -0.02 1.13 0.18 0.00 -1.71 0.00 0.00 66.02 65.60 2c3m s SER 1045CO 0.42 -0.27 1.50 0.11 1.20 0.00 0.00 173.24 176.20 2c3m h LYS 1046N 8.20 0.16 -0.12 5.44 1.57 -1.82 -2.82 116.57 127.17 2c3m h LYS 1046Ca -0.17 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 2c3m h LYS 1046Cb 1.13 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2c3m h LYS 1046CO 0.20 0.80 0.05 1.96 -0.57 0.00 0.00 179.45 181.89 2c3m h GLN 1047N 0.11 0.18 -0.75 3.15 4.20 -1.94 -1.38 115.11 118.68 2c3m h GLN 1047Ca -0.02 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2c3m h GLN 1047Cb 1.25 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.97 2c3m h GLN 1047CO 0.10 0.28 0.48 0.37 -0.67 0.00 0.00 178.83 179.40 2c3m h GLN 1048N 0.04 0.99 -0.17 1.46 -0.00 -1.96 0.50 115.11 115.96 2c3m h GLN 1048Ca 0.04 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 2c3m h GLN 1048Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 27.48 27.42 2c3m h GLN 1048CO -0.00 0.66 0.07 0.35 0.00 0.00 0.00 178.83 179.91 2c3m h PHE 1049N 1.01 0.26 -0.66 3.99 3.57 -1.22 0.87 116.94 124.77 2c3m h PHE 1049Ca 0.27 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 2c3m h PHE 1049Cb -0.10 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 2c3m h PHE 1049CO 0.00 0.32 0.18 -0.07 -2.23 0.00 0.00 178.31 176.51 2c3m h LEU 1050N 0.13 0.96 -0.25 0.59 3.38 -0.76 -0.94 115.31 118.41 2c3m h LEU 1050Ca 0.06 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2c3m h LEU 1050Cb 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2c3m h LEU 1050CO -0.00 0.91 0.14 0.50 0.09 0.00 0.00 178.44 180.08 2c3m h LYS 1051N 0.98 0.35 -0.49 1.13 3.64 -0.55 -1.97 116.57 119.66 2c3m h LYS 1051Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2c3m h LYS 1051Cb 0.32 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2c3m h LYS 1051CO -0.00 0.30 0.31 0.28 -2.27 0.00 0.00 179.45 178.07 2c3m h VAL 1052N 0.30 1.14 -0.51 2.00 2.07 -0.51 -1.01 116.25 119.73 2c3m h VAL 1052Ca 0.09 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2c3m h VAL 1052Cb 0.05 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 2c3m h VAL 1052CO -0.02 0.14 0.23 -0.07 0.02 0.00 0.00 177.57 177.87 2c3m h LEU 1053N 0.66 0.30 -0.42 2.57 3.38 -0.90 0.25 115.31 121.16 2c3m h LEU 1053Ca 0.18 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 2c3m h LEU 1053Cb -0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2c3m h LEU 1053CO -0.04 0.21 -0.16 0.11 0.09 0.00 0.00 178.44 178.65 2c3m h LYS 1054N 0.45 0.85 -0.34 1.13 1.79 -1.13 -1.16 116.57 118.16 2c3m h LYS 1054Ca 0.23 -0.36 -0.06 0.00 -2.18 0.00 0.00 60.65 58.28 2c3m h LYS 1054Cb 0.18 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2c3m h LYS 1054CO -0.19 0.99 -0.03 0.93 -1.08 0.00 0.00 179.45 180.07 2c3m h GLU 1055N 0.67 0.62 -0.17 3.15 5.08 -0.86 -1.54 114.58 121.53 2c3m h GLU 1055Ca 0.10 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2c3m h GLU 1055Cb 0.72 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2c3m h GLU 1055CO 0.05 0.76 0.02 0.00 -1.00 0.00 0.00 179.01 178.85 2c3m h ALA 1056N 0.84 0.23 -0.52 3.43 0.00 -0.50 -1.95 119.26 120.79 2c3m h ALA 1056Ca 0.09 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2c3m h ALA 1056Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2c3m h ALA 1056CO 0.02 -0.09 0.00 1.49 0.00 0.00 0.00 179.25 180.67 2c3m h GLU 1057N 0.07 0.89 0.00 0.00 4.22 -1.22 -2.87 114.58 115.67 2c3m h GLU 1057Ca 0.05 -0.25 0.00 0.00 0.08 0.00 0.00 59.36 59.24 2c3m h GLU 1057Cb 0.33 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2c3m h GLU 1057CO 0.00 0.88 0.00 0.66 -2.18 0.00 0.00 179.01 178.38 2c3m h SER 1058N 0.82 0.00 -2.62 1.04 4.64 -1.25 -3.45 113.55 112.73 2c3m h SER 1058Ca 0.16 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.95 2c3m h SER 1058Cb 0.49 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.61 2c3m h SER 1058CO 0.02 0.00 1.05 0.12 -0.87 0.00 0.00 176.83 177.15 2c3m s PHE 1059N -3.18 2.31 0.00 4.77 5.36 -0.74 -4.84 117.98 121.66 2c3m s PHE 1059Ca 0.09 0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 56.20 2c3m s PHE 1059Cb 0.10 -4.06 -0.09 0.00 -0.34 0.00 0.00 43.02 38.62 2c3m s PHE 1059CO 0.60 -4.32 2.53 -0.35 -1.46 0.00 0.00 175.22 172.21 2c3m n PRO 1060N 5.60 1.32 -0.14 10.12 -0.04 -1.26 -4.76 135.00 145.85 2c3m n PRO 1060Ca 0.17 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2c3m n PRO 1060Cb 0.39 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.86 2.77 3.76 0.55 0.00 -1.26 -4.68 105.19 108.19 2c3m n GLY 1061Ca 0.15 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 0.61 4.69 -0.01 1.61 0.02 -0.38 -3.61 135.00 137.93 2c3m s PRO 1062Ca 0.00 1.72 0.04 0.00 0.02 0.00 0.00 61.00 62.78 2c3m s PRO 1062Cb 0.00 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 2c3m s PRO 1062CO 0.00 0.29 -0.13 -1.12 -0.33 0.00 0.00 177.00 175.71 2c3m s SER 1063N -0.97 1.55 -0.11 2.53 0.01 -0.73 -1.15 113.70 114.82 2c3m s SER 1063Ca 0.44 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 57.45 2c3m s SER 1063Cb -0.30 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 65.77 2c3m s SER 1063CO 0.38 0.16 -0.07 -0.22 0.41 0.00 0.00 173.24 173.90 2c3m s LEU 1064N -0.28 1.17 -0.16 2.44 2.96 0.40 -0.60 118.68 124.61 2c3m s LEU 1064Ca 0.05 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2c3m s LEU 1064Cb -0.05 -0.82 0.01 0.00 0.50 0.00 0.00 46.19 45.83 2c3m s LEU 1064CO -0.00 -0.13 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.99 2c3m s VAL 1065N 1.72 2.06 -0.25 1.68 1.01 0.14 -1.52 120.40 125.25 2c3m s VAL 1065Ca 0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 2c3m s VAL 1065Cb -0.13 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2c3m s VAL 1065CO -0.08 0.55 0.02 -0.63 0.00 0.00 0.00 175.10 174.96 2c3m s ILE 1066N 1.02 3.84 -0.06 2.22 1.01 -0.33 -0.69 121.20 128.20 2c3m s ILE 1066Ca -0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 2c3m s ILE 1066Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 2c3m s ILE 1066CO -0.07 0.32 -0.01 0.00 0.00 0.00 0.00 174.94 175.19 2c3m s ALA 1067N 1.53 3.24 -0.38 9.38 0.00 0.13 -1.48 121.76 134.18 2c3m s ALA 1067Ca 0.05 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 2c3m s ALA 1067Cb -0.15 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.58 2c3m s ALA 1067CO 0.00 0.60 1.07 -0.47 0.00 0.00 0.00 175.76 176.97 2c3m s TYR 1068N -0.92 3.03 -0.21 0.00 5.04 -0.98 -1.03 117.35 122.29 2c3m s TYR 1068Ca 0.15 0.98 -0.03 0.00 -2.44 0.00 0.00 57.07 55.73 2c3m s TYR 1068Cb -0.11 -3.92 -0.00 0.00 0.35 0.00 0.00 41.96 38.27 2c3m s TYR 1068CO 0.04 -0.94 -0.08 0.00 -1.34 0.00 0.00 175.55 173.23 2c3m s ALA 1069N 3.88 2.70 0.61 3.97 0.00 -0.47 -4.78 121.76 127.67 2c3m s ALA 1069Ca 0.45 -1.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 2c3m s ALA 1069Cb -0.10 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 2c3m s ALA 1069CO 0.21 -0.40 1.09 0.95 0.00 0.00 0.00 175.76 177.60 2c3m s THR 1070N 1.42 3.50 -0.06 0.00 -4.23 -1.26 -4.14 115.64 110.87 2c3m s THR 1070Ca 0.05 0.74 -0.17 0.00 -1.18 0.00 0.00 61.69 61.14 2c3m s THR 1070Cb -0.14 -3.26 0.04 0.00 1.34 0.00 0.00 72.50 70.47 2c3m s THR 1070CO -0.05 -0.38 0.39 0.00 -0.54 0.00 0.00 174.62 174.04 2c3m h ILE 1072N 3.93 0.78 -0.06 0.00 3.07 -1.95 0.12 117.51 123.40 2c3m h ILE 1072Ca -0.28 -0.11 0.02 0.00 1.55 0.00 0.00 64.86 66.03 2c3m h ILE 1072Cb 1.17 0.43 -0.00 0.00 -0.27 0.00 0.00 36.82 38.15 2c3m h ILE 1072CO 0.35 0.06 0.07 0.78 -1.05 0.00 0.00 178.15 178.36 2c3m h ASN 1073N 0.32 0.00 1.12 2.16 -0.26 -1.96 -0.76 115.58 116.20 2c3m h ASN 1073Ca 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 2c3m h ASN 1073Cb 0.89 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 2c3m h ASN 1073CO -0.09 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.28 2c3m n GLN 1074N -3.82 0.18 -3.16 0.81 6.02 0.43 -4.73 117.38 113.10 2c3m n GLN 1074Ca -0.01 0.23 -0.14 0.00 -0.01 0.00 0.00 57.00 57.07 2c3m n GLN 1074Cb 0.17 -1.74 0.07 0.00 1.02 0.00 0.00 30.24 29.76 2c3m n GLN 1074CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2c3m n GLY 1075N 0.91 -0.55 3.64 1.08 0.00 -0.29 -2.56 105.19 107.41 2c3m n GLY 1075Ca 0.05 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 2c3m n GLY 1075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c3m s LEU 1076N -5.52 4.12 0.39 0.99 1.43 -1.26 -0.59 118.68 118.24 2c3m s LEU 1076Ca 0.18 2.37 0.12 0.00 -1.03 0.00 0.00 54.13 55.77 2c3m s LEU 1076Cb -0.02 -3.52 0.91 0.00 0.03 0.00 0.00 46.19 43.59 2c3m s LEU 1076CO 0.65 -1.32 1.89 0.03 0.23 0.00 0.00 176.35 177.83 2c3m h ARG 1077N 11.82 0.56 -0.41 1.70 2.47 -1.65 -2.55 114.38 126.31 2c3m h ARG 1077Ca -0.46 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 2c3m h ARG 1077Cb 1.23 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 2c3m h ARG 1077CO 0.95 0.37 0.00 1.63 0.56 0.00 0.00 179.97 183.48 2c3m n LYS 1078N -4.52 2.46 0.00 0.04 5.02 -1.26 -5.06 118.16 114.83 2c3m n LYS 1078Ca 0.16 -2.27 0.00 0.00 -2.02 0.00 0.00 58.31 54.18 2c3m n LYS 1078Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.41 2.73 0.09 0.72 0.00 -0.96 -4.73 105.19 104.44 2c3m n GLY 1079Ca 0.19 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.49 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 0.62 0.09 0.00 1.61 2.81 -1.26 -1.23 117.12 119.77 2c3m n MET 1080Ca 0.00 0.50 0.09 0.00 -1.81 0.00 0.00 57.70 56.48 2c3m n MET 1080Cb 0.00 -1.75 0.47 0.00 -0.71 0.00 0.00 33.22 31.23 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 -0.88 -0.81 1.11 3.03 0.00 -1.20 -1.42 105.19 105.00 2c3m n GLY 1081Ca 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.22 2.63 -0.13 1.61 4.76 -0.36 -3.74 118.16 121.71 2c3m n LYS 1082Ca 0.10 -2.38 -0.05 0.00 -2.87 0.00 0.00 58.31 53.10 2c3m n LYS 1082Cb 0.13 -1.47 0.01 0.00 -1.84 0.00 0.00 35.03 31.85 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 3.72 -0.79 -0.75 4.39 0.02 -1.42 0.13 113.55 118.85 2c3m h SER 1083Ca 0.00 0.17 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2c3m h SER 1083Cb 0.91 0.41 -0.05 0.00 0.14 0.00 0.00 62.40 63.81 2c3m h SER 1083CO 0.00 -0.26 0.46 1.56 -1.14 0.00 0.00 176.83 177.45 2c3m h GLN 1084N -0.15 0.85 -0.53 3.45 1.08 -1.84 0.16 115.11 118.13 2c3m h GLN 1084Ca 0.20 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.27 2c3m h GLN 1084Cb 0.47 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2c3m h GLN 1084CO -0.52 0.56 0.00 0.22 -0.95 0.00 0.00 178.83 178.15 2c3m h ASP 1085N 0.88 0.88 -0.32 1.46 3.58 -1.63 -0.43 116.42 120.83 2c3m h ASP 1085Ca 0.31 -0.23 -0.12 0.00 0.42 0.00 0.00 57.03 57.42 2c3m h ASP 1085Cb 0.09 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2c3m h ASP 1085CO -0.14 0.94 -0.24 0.58 -2.88 0.00 0.00 179.24 177.50 2c3m h VAL 1086N 0.84 1.27 -0.45 2.25 2.07 -0.02 -1.04 116.25 121.18 2c3m h VAL 1086Ca 0.16 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 2c3m h VAL 1086Cb 0.50 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2c3m h VAL 1086CO 0.02 0.46 0.00 0.24 0.02 0.00 0.00 177.57 178.32 2c3m h MET 1087N 0.71 0.74 0.09 1.57 2.86 -0.30 0.11 114.93 120.71 2c3m h MET 1087Ca 0.09 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2c3m h MET 1087Cb 0.77 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2c3m h MET 1087CO 0.06 0.75 -0.04 -0.97 1.06 0.00 0.00 176.91 177.76 2c3m h ASN 1088N 0.69 -0.10 -0.36 1.22 -0.00 -0.68 -3.00 115.58 113.34 2c3m h ASN 1088Ca 0.14 -0.22 -0.05 0.00 -0.00 0.00 0.00 56.30 56.17 2c3m h ASN 1088Cb 0.42 0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 38.75 2c3m h ASN 1088CO 0.02 0.16 0.08 0.74 -0.00 0.00 0.00 177.43 178.43 2c3m h THR 1089N -0.38 1.21 -0.81 -3.57 2.02 -1.03 -1.65 112.91 108.70 2c3m h THR 1089Ca -0.01 -0.77 0.15 0.00 0.77 0.00 0.00 66.41 66.55 2c3m h THR 1089Cb 0.32 0.78 -0.10 0.00 -1.74 0.00 0.00 68.15 67.42 2c3m h THR 1089CO 0.02 0.28 0.37 0.00 0.37 0.00 0.00 175.52 176.56 2c3m h ALA 1090N 1.44 1.19 0.02 6.16 0.00 -0.64 0.17 119.26 127.60 2c3m h ALA 1090Ca 0.14 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2c3m h ALA 1090Cb 0.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2c3m h ALA 1090CO 0.00 -0.17 -0.01 0.28 0.00 0.00 0.00 179.25 179.35 2c3m h VAL 1091N 0.51 1.47 -0.91 0.00 2.07 -1.34 0.20 116.25 118.25 2c3m h VAL 1091Ca 0.45 -1.93 0.10 0.00 0.82 0.00 0.00 66.70 66.15 2c3m h VAL 1091Cb 0.69 2.69 -0.08 0.00 -1.52 0.00 0.00 31.29 33.07 2c3m h VAL 1091CO -0.40 0.47 0.55 0.11 0.02 0.00 0.00 177.57 178.32 2c3m h LYS 1092N -0.91 0.88 0.00 1.57 1.57 -1.00 0.12 116.57 118.80 2c3m h LYS 1092Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2c3m h LYS 1092Cb 0.78 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2c3m h LYS 1092CO 0.00 0.58 0.00 0.66 -0.57 0.00 0.00 179.45 180.13 2c3m h SER 1093N 0.91 0.00 0.00 0.86 4.64 -0.81 -2.44 113.55 116.70 2c3m h SER 1093Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2c3m h SER 1093Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2c3m h SER 1093CO -0.25 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.32 2c3m n GLY 1094N -0.45 0.82 0.21 -0.77 0.00 0.42 -4.11 105.19 101.31 2c3m n GLY 1094Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.67 -2.82 1.61 3.20 -1.58 -3.36 116.97 114.69 2c3m h TYR 1095Ca 0.00 -0.04 -0.61 0.00 3.14 0.00 0.00 58.73 61.22 2c3m h TYR 1095Cb 0.00 -0.20 -0.41 0.00 1.54 0.00 0.00 36.73 37.66 2c3m h TYR 1095CO 0.00 0.55 -0.72 -0.46 -1.64 0.00 0.00 178.16 175.89 2c3m s TRP 1096N -5.64 2.67 0.51 -3.82 -0.11 0.64 -5.00 118.94 108.18 2c3m s TRP 1096Ca -0.13 -2.97 -0.22 0.00 1.22 0.00 0.00 56.10 54.00 2c3m s TRP 1096Cb 0.11 -2.06 -0.06 0.00 -1.50 0.00 0.00 33.47 29.96 2c3m s TRP 1096CO 0.76 -0.65 1.23 -1.25 -4.62 0.00 0.00 176.95 172.42 2c3m s PRO 1097N -0.90 3.46 -0.11 5.86 0.04 -1.26 -4.01 135.00 138.08 2c3m s PRO 1097Ca 0.28 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 63.19 2c3m s PRO 1097Cb -0.02 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 2c3m s PRO 1097CO -0.18 -0.83 0.04 -0.51 0.04 0.00 0.00 177.00 175.56 2c3m s LEU 1098N -3.34 3.78 0.24 -3.56 1.43 -1.26 -4.85 118.68 111.11 2c3m s LEU 1098Ca 0.68 0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 53.75 2c3m s LEU 1098Cb -0.32 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.04 2c3m s LEU 1098CO 0.38 0.35 0.74 0.72 0.23 0.00 0.00 176.35 178.77 2c3m s PHE 1099N -0.69 -0.23 -0.01 0.29 -0.12 -1.25 -0.06 117.98 115.91 2c3m s PHE 1099Ca 0.11 -0.16 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 2c3m s PHE 1099Cb -0.12 0.68 0.01 0.00 -0.63 0.00 0.00 43.02 42.96 2c3m s PHE 1099CO 0.02 -1.11 0.00 1.03 -0.05 0.00 0.00 175.22 175.12 2c3m s ARG 1100N -3.79 0.05 -0.29 1.99 0.52 -0.26 -1.75 118.95 115.42 2c3m s ARG 1100Ca 0.10 0.05 0.02 0.00 -0.52 0.00 0.00 55.73 55.38 2c3m s ARG 1100Cb -0.05 -0.15 0.07 0.00 0.52 0.00 0.00 34.95 35.35 2c3m s ARG 1100CO 0.03 -0.05 -0.04 -0.47 0.02 0.00 0.00 175.30 174.79 2c3m s TYR 1101N 0.39 3.41 -0.34 -0.53 5.04 0.31 -0.59 117.35 125.05 2c3m s TYR 1101Ca -0.03 -2.46 -0.01 0.00 -2.44 0.00 0.00 57.07 52.13 2c3m s TYR 1101Cb -0.05 -2.27 0.08 0.00 0.35 0.00 0.00 41.96 40.07 2c3m s TYR 1101CO -0.01 -0.89 0.06 0.34 -1.34 0.00 0.00 175.55 173.71 2c3m s ASP 1102N 1.09 4.95 0.56 4.32 -1.08 -0.11 -1.62 116.67 124.79 2c3m s ASP 1102Ca -0.03 -1.67 0.27 0.00 -0.52 0.00 0.00 52.55 50.61 2c3m s ASP 1102Cb -0.20 -1.72 1.50 0.00 -1.46 0.00 0.00 42.92 41.04 2c3m s ASP 1102CO -0.05 -0.36 2.00 -0.65 0.52 0.00 0.00 175.17 176.63 2c3m h PRO 1103N 7.93 0.00 0.00 4.34 0.11 -1.84 -1.80 132.00 140.74 2c3m h PRO 1103Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2c3m h PRO 1103Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2c3m h PRO 1103CO 0.58 0.00 0.00 0.07 -0.21 0.00 0.00 178.00 178.44 2c3m h ARG 1104N 0.00 0.00 -0.12 1.05 0.11 -1.94 -2.03 114.38 111.45 2c3m h ARG 1104Ca 0.19 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.04 2c3m h ARG 1104Cb 0.88 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.97 2c3m h ARG 1104CO -0.00 0.00 -0.78 -0.07 0.10 0.00 0.00 179.97 179.21 2c3m h LEU 1105N 0.00 0.90 -0.93 0.08 3.38 -1.61 -3.08 115.31 114.06 2c3m h LEU 1105Ca 0.00 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 2c3m h LEU 1105Cb 0.48 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2c3m h LEU 1105CO 0.00 1.41 0.56 0.00 0.09 0.00 0.00 178.44 180.50 2c3m h ALA 1106N 0.51 1.18 0.00 1.53 0.00 -0.99 0.12 119.26 121.61 2c3m h ALA 1106Ca -0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2c3m h ALA 1106Cb 1.42 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2c3m h ALA 1106CO 0.16 0.64 -0.00 0.00 0.00 0.00 0.00 179.25 180.05 2c3m h ALA 1107N 1.31 1.16 -0.47 0.00 0.00 -1.30 -1.40 119.26 118.56 2c3m h ALA 1107Ca 0.33 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.97 2c3m h ALA 1107Cb -0.06 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.57 2c3m h ALA 1107CO -0.06 0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.13 2c3m n GLN 1108N -3.32 2.08 -1.02 0.00 10.64 -0.32 -4.92 117.38 120.53 2c3m n GLN 1108Ca -0.03 -3.30 -0.01 0.00 -1.83 0.00 0.00 57.00 51.84 2c3m n GLN 1108Cb 0.09 -1.91 -0.00 0.00 -0.86 0.00 0.00 30.24 27.55 2c3m n GLN 1108CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2c3m n GLY 1109N -1.08 0.30 3.75 2.61 0.00 -0.53 -5.02 105.19 105.23 2c3m n GLY 1109Ca 0.38 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.10 2.71 -0.02 1.61 1.02 0.25 -4.97 119.74 119.23 2c3m s LYS 1110Ca 0.00 -0.97 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 2c3m s LYS 1110Cb 0.00 -2.53 -0.07 0.00 -0.52 0.00 0.00 37.83 34.71 2c3m s LYS 1110CO 0.00 0.47 1.88 1.21 -0.92 0.00 0.00 175.35 177.99 2c3m s ASN 1111N -3.07 6.43 0.47 2.83 3.84 -1.26 -2.28 114.94 121.90 2c3m s ASN 1111Ca 0.30 2.43 0.24 0.00 0.21 0.00 0.00 52.86 56.04 2c3m s ASN 1111Cb -0.10 -2.53 1.15 0.00 -0.55 0.00 0.00 41.25 39.23 2c3m s ASN 1111CO 0.22 -1.10 1.94 1.55 -2.79 0.00 0.00 177.10 176.92 2c3m h PRO 1112N 10.65 0.00 -6.03 0.43 0.13 -1.87 -3.44 132.00 131.87 2c3m h PRO 1112Ca -0.45 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 2c3m h PRO 1112Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2c3m h PRO 1112CO 0.95 0.20 0.14 0.12 -0.23 0.00 0.00 178.00 179.17 2c3m s PHE 1113N -3.98 3.56 -0.06 1.56 5.36 -1.26 -0.94 117.98 122.22 2c3m s PHE 1113Ca -0.02 1.26 0.01 0.00 -0.96 0.00 0.00 56.93 57.22 2c3m s PHE 1113Cb 0.12 -2.84 0.02 0.00 -0.34 0.00 0.00 43.02 39.98 2c3m s PHE 1113CO 0.62 0.04 -0.07 -0.65 -1.46 0.00 0.00 175.22 173.70 2c3m s GLN 1114N 1.00 1.18 -0.16 10.12 -0.21 0.24 -4.60 119.66 127.23 2c3m s GLN 1114Ca 0.38 -0.20 -0.20 0.00 0.02 0.00 0.00 55.36 55.36 2c3m s GLN 1114Cb -0.18 -1.15 -0.03 0.00 1.00 0.00 0.00 33.01 32.66 2c3m s GLN 1114CO 0.18 -0.11 0.58 -0.51 -2.12 0.00 0.00 175.29 173.31 2c3m s LEU 1115N 1.09 4.19 -0.00 2.90 1.43 -1.26 -1.10 118.68 125.93 2c3m s LEU 1115Ca -0.08 0.83 0.20 0.00 -1.03 0.00 0.00 54.13 54.06 2c3m s LEU 1115Cb -0.14 -2.83 -0.23 0.00 0.03 0.00 0.00 46.19 43.02 2c3m s LEU 1115CO -0.01 -0.17 0.78 0.47 0.23 0.00 0.00 176.35 177.65 2c3m n ASP 1116N 4.53 0.83 -4.73 2.29 8.00 0.91 -4.96 116.55 123.42 2c3m n ASP 1116Ca -0.03 -0.81 -0.30 0.00 0.71 0.00 0.00 54.79 54.36 2c3m n ASP 1116Cb 0.50 1.15 -0.08 0.00 -0.02 0.00 0.00 41.12 42.68 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 -3.12 4.12 0.35 -2.24 1.04 -1.06 -4.89 113.70 107.90 2c3m s SER 1117Ca 0.05 -1.48 0.07 0.00 0.48 0.00 0.00 55.95 55.07 2c3m s SER 1117Cb 0.15 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2c3m s SER 1117CO 0.82 -0.71 0.37 -0.54 0.98 0.00 0.00 173.24 174.16 2c3m s LYS 1118N -3.86 2.82 0.57 4.02 1.02 -1.26 -4.91 119.74 118.15 2c3m s LYS 1118Ca 0.21 -1.24 -0.19 0.00 0.02 0.00 0.00 55.97 54.77 2c3m s LYS 1118Cb 0.04 -2.58 -0.06 0.00 -0.52 0.00 0.00 37.83 34.71 2c3m s LYS 1118CO 0.11 0.02 0.89 0.00 -0.92 0.00 0.00 175.35 175.45 2c3m n ALA 1119N -1.51 -0.05 -1.53 5.17 0.00 -1.26 -4.76 120.51 116.58 2c3m n ALA 1119Ca 0.00 0.03 -0.50 0.00 0.00 0.00 0.00 53.44 52.97 2c3m n ALA 1119Cb 0.59 -2.06 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 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 -0.70 0.73 -0.29 0.00 -0.02 -1.26 -4.82 135.00 128.63 2c3m n PRO 1120Ca 0.13 0.26 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 2c3m n PRO 1120Cb 0.46 -1.65 0.28 0.00 -0.02 0.00 0.00 33.50 32.58 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 1.86 3.37 0.00 2.55 5.75 -0.92 -4.95 116.55 124.21 2c3m n ASP 1121Ca 0.16 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 2c3m n ASP 1121Cb 0.22 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 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 1.51 0.49 1.09 6.12 0.00 -1.26 -4.93 105.19 108.21 2c3m n GLY 1122Ca 0.21 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 0.48 3.23 -0.28 1.61 3.41 -1.26 -4.53 113.62 116.29 2c3m n SER 1123Ca 0.00 -1.96 0.08 0.00 -0.26 0.00 0.00 58.87 56.73 2c3m n SER 1123Cb 0.00 -0.29 0.31 0.00 -0.26 0.00 0.00 64.21 63.96 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 3.95 0.95 -0.27 -3.33 3.04 -1.92 -1.67 116.25 117.00 2c3m h VAL 1124Ca 0.00 -0.30 0.02 0.00 -1.01 0.00 0.00 66.70 65.42 2c3m h VAL 1124Cb 0.88 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 30.15 2c3m h VAL 1124CO 0.00 0.16 0.11 -0.08 -1.01 0.00 0.00 177.57 176.75 2c3m h GLU 1125N 0.86 0.24 -0.11 4.17 4.57 -1.95 -0.34 114.58 122.01 2c3m h GLU 1125Ca 0.42 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.47 2c3m h GLU 1125Cb 0.45 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2c3m h GLU 1125CO -0.18 0.16 -0.46 1.05 -1.18 0.00 0.00 179.01 178.39 2c3m h GLU 1126N 0.25 0.27 -0.27 1.92 9.09 -1.79 -1.64 114.58 122.41 2c3m h GLU 1126Ca 0.12 -0.14 0.00 0.00 0.05 0.00 0.00 59.36 59.39 2c3m h GLU 1126Cb 0.06 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 2c3m h GLU 1126CO -0.10 0.68 0.18 0.35 0.05 0.00 0.00 179.01 180.17 2c3m h PHE 1127N 0.22 0.34 0.01 2.06 3.57 -0.73 -1.72 116.94 120.69 2c3m h PHE 1127Ca 0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2c3m h PHE 1127Cb 0.90 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.53 2c3m h PHE 1127CO 0.02 0.21 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.24 2c3m h LEU 1128N 0.37 -0.01 -0.71 0.59 3.38 -0.95 -3.08 115.31 114.88 2c3m h LEU 1128Ca 0.10 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2c3m h LEU 1128Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2c3m h LEU 1128CO -0.02 0.36 0.00 0.23 0.09 0.00 0.00 178.44 179.10 2c3m n MET 1129N -4.92 0.11 -0.02 1.13 2.81 -0.63 -1.17 117.12 114.43 2c3m n MET 1129Ca -0.08 0.49 0.13 0.00 -1.81 0.00 0.00 57.70 56.42 2c3m n MET 1129Cb 0.20 -1.77 0.62 0.00 -0.71 0.00 0.00 33.22 31.56 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 -1.68 2.60 -3.36 3.04 0.00 -0.65 -4.66 120.51 115.80 2c3m n ALA 1130Ca 0.01 -0.34 -0.28 0.00 0.00 0.00 0.00 53.44 52.82 2c3m n ALA 1130Cb 0.11 -1.27 -0.17 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.96 2.39 0.55 0.00 -0.21 -0.32 -1.63 119.66 118.48 2c3m s GLN 1131Ca 0.38 -0.65 0.24 0.00 0.02 0.00 0.00 55.36 55.35 2c3m s GLN 1131Cb 0.19 -1.87 1.54 0.00 1.00 0.00 0.00 33.01 33.87 2c3m s GLN 1131CO 0.31 0.10 2.19 -0.97 -2.12 0.00 0.00 175.29 174.79 2c3m h ASN 1132N 6.87 0.00 0.25 5.90 -1.24 -0.71 0.17 115.58 126.83 2c3m h ASN 1132Ca -0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.76 2c3m h ASN 1132Cb 1.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.26 2c3m h ASN 1132CO 0.47 0.02 0.00 0.08 -1.29 0.00 0.00 177.43 176.72 2c3m h ARG 1133N 0.00 0.00 0.00 6.67 0.11 -1.75 -0.86 114.38 118.55 2c3m h ARG 1133Ca -0.00 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.91 2c3m h ARG 1133Cb 0.05 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 2c3m h ARG 1133CO 0.00 0.00 -1.63 1.19 0.10 0.00 0.00 179.97 179.63 2c3m n PHE 1134N -2.57 0.00 -0.29 4.08 3.01 -0.60 -0.43 117.46 120.66 2c3m n PHE 1134Ca -0.01 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.46 2c3m n PHE 1134Cb 0.11 -0.42 0.21 0.00 -0.01 0.00 0.00 39.48 39.37 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 -0.11 1.44 -0.39 4.37 0.00 -0.84 -2.39 119.26 121.33 2c3m h ALA 1135Ca -0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2c3m h ALA 1135Cb 1.35 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2c3m h ALA 1135CO -0.08 0.48 0.21 -0.39 0.00 0.00 0.00 179.25 179.47 2c3m h VAL 1136N 1.11 1.13 -0.32 0.00 -1.51 -1.41 -1.15 116.25 114.11 2c3m h VAL 1136Ca 0.35 -0.33 -0.13 0.00 -1.23 0.00 0.00 66.70 65.36 2c3m h VAL 1136Cb 0.00 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 29.75 2c3m h VAL 1136CO -0.10 0.14 -0.34 0.25 -1.23 0.00 0.00 177.57 176.29 2c3m h LEU 1137N 0.54 0.73 -0.97 4.19 5.85 -1.66 -1.37 115.31 122.62 2c3m h LEU 1137Ca 0.14 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 2c3m h LEU 1137Cb 0.02 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2c3m h LEU 1137CO -0.02 1.01 0.18 -0.78 -0.34 0.00 0.00 178.44 178.48 2c3m h ASP 1138N 0.59 0.86 0.52 1.25 3.58 -1.07 0.63 116.42 122.77 2c3m h ASP 1138Ca 0.06 -0.15 -0.17 0.00 0.42 0.00 0.00 57.03 57.19 2c3m h ASP 1138Cb 0.86 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2c3m h ASP 1138CO 0.07 0.82 -0.74 0.03 -2.88 0.00 0.00 179.24 176.54 2c3m h ARG 1139N 0.89 0.18 0.11 0.28 3.08 -1.12 -2.99 114.38 114.80 2c3m h ARG 1139Ca 0.20 -0.16 -0.36 0.00 0.07 0.00 0.00 59.98 59.73 2c3m h ARG 1139Cb 0.28 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2c3m h ARG 1139CO -0.01 0.84 -2.01 0.43 -1.07 0.00 0.00 179.97 178.16 2c3m n SER 1140N -3.75 2.10 -3.26 7.04 7.64 -0.54 -4.71 113.62 118.16 2c3m n SER 1140Ca -0.03 0.19 -0.25 0.00 1.01 0.00 0.00 58.87 59.80 2c3m n SER 1140Cb 0.71 -0.83 -0.08 0.00 -1.01 0.00 0.00 64.21 63.00 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 -3.52 -0.03 -0.34 1.43 3.01 0.22 -4.99 117.46 113.23 2c3m n PHE 1141Ca -0.33 -3.59 0.18 0.00 1.01 0.00 0.00 57.45 54.72 2c3m n PHE 1141Cb 1.03 -0.27 0.40 0.00 -0.01 0.00 0.00 39.48 40.63 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 4.31 0.55 0.91 -1.08 0.13 -1.59 -0.60 132.00 134.63 2c3m h PRO 1142Ca 0.12 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.17 2c3m h PRO 1142Cb 0.86 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 31.87 2c3m h PRO 1142CO 0.48 0.36 -0.47 0.93 -0.23 0.00 0.00 178.00 179.07 2c3m h GLU 1143N 0.56 -1.22 -0.65 0.86 4.39 -1.91 -1.32 114.58 115.29 2c3m h GLU 1143Ca 0.63 0.08 -0.06 0.00 0.34 0.00 0.00 59.36 60.35 2c3m h GLU 1143Cb 1.25 0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 30.15 2c3m h GLU 1143CO -0.43 -0.82 0.18 -0.44 -1.16 0.00 0.00 179.01 176.34 2c3m h ASP 1144N -1.27 0.97 -0.29 1.42 3.45 -1.85 -2.81 116.42 116.04 2c3m h ASP 1144Ca -0.12 -0.22 0.05 0.00 0.43 0.00 0.00 57.03 57.16 2c3m h ASP 1144Cb 0.99 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 39.46 2c3m h ASP 1144CO 0.18 0.94 0.03 0.00 -1.57 0.00 0.00 179.24 178.83 2c3m h ALA 1145N 1.07 0.29 -0.10 3.45 0.00 -1.09 0.31 119.26 123.18 2c3m h ALA 1145Ca 0.21 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2c3m h ALA 1145Cb 0.34 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2c3m h ALA 1145CO -0.00 -0.38 -0.14 -0.22 0.00 0.00 0.00 179.25 178.51 2c3m h LYS 1146N 0.13 -0.18 -0.83 0.00 3.64 -1.14 0.51 116.57 118.69 2c3m h LYS 1146Ca 0.14 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2c3m h LYS 1146Cb 0.16 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 2c3m h LYS 1146CO -0.21 -0.12 0.53 -0.09 -2.27 0.00 0.00 179.45 177.30 2c3m h ARG 1147N -0.19 1.11 -0.34 1.90 2.43 -1.15 -1.64 114.38 116.50 2c3m h ARG 1147Ca 0.08 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 2c3m h ARG 1147Cb 0.31 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2c3m h ARG 1147CO -0.21 0.75 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.56 2c3m h LEU 1148N 1.13 0.83 -0.91 3.80 3.38 0.04 -0.82 115.31 122.77 2c3m h LEU 1148Ca 0.30 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2c3m h LEU 1148Cb -0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 2c3m h LEU 1148CO -0.06 1.11 -0.46 0.03 0.09 0.00 0.00 178.44 179.14 2c3m h ARG 1149N 0.65 0.19 -0.22 1.13 3.08 -0.72 -1.43 114.38 117.06 2c3m h ARG 1149Ca 0.06 -0.10 -0.16 0.00 0.07 0.00 0.00 59.98 59.85 2c3m h ARG 1149Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 2c3m h ARG 1149CO 0.08 0.62 -0.52 0.00 -1.07 0.00 0.00 179.97 179.08 2c3m h ALA 1150N 1.37 0.68 -0.80 0.04 0.00 -1.10 -1.85 119.26 117.60 2c3m h ALA 1150Ca 0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2c3m h ALA 1150Cb 0.88 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2c3m h ALA 1150CO 0.07 0.68 0.31 0.37 0.00 0.00 0.00 179.25 180.68 2c3m h GLN 1151N 0.49 1.20 -0.33 0.00 4.15 -0.73 -1.07 115.11 118.81 2c3m h GLN 1151Ca 0.02 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 2c3m h GLN 1151Cb 1.07 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 2c3m h GLN 1151CO 0.10 0.97 0.17 0.28 -1.93 0.00 0.00 178.83 178.42 2c3m h VAL 1152N 1.17 1.15 -0.70 2.39 2.07 -1.04 0.44 116.25 121.72 2c3m h VAL 1152Ca 0.27 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2c3m h VAL 1152Cb 0.22 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2c3m h VAL 1152CO -0.02 0.15 0.46 0.00 0.02 0.00 0.00 177.57 178.18 2c3m h ALA 1153N 1.03 1.62 -0.20 1.67 0.00 -0.91 -1.73 119.26 120.73 2c3m h ALA 1153Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2c3m h ALA 1153Cb 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2c3m h ALA 1153CO -0.02 0.31 -0.22 1.25 0.00 0.00 0.00 179.25 180.57 2c3m h HIS 1154N 0.83 0.60 -0.39 0.00 6.17 -0.52 -2.70 115.15 119.14 2c3m h HIS 1154Ca 0.28 -0.19 0.04 0.00 0.71 0.00 0.00 60.37 61.21 2c3m h HIS 1154Cb 0.09 -0.12 -0.04 0.00 2.52 0.00 0.00 27.41 29.85 2c3m h HIS 1154CO -0.00 0.87 0.17 0.93 0.71 0.00 0.00 177.93 180.60 2c3m h GLU 1155N 0.17 0.33 0.00 5.26 5.08 -0.25 -1.42 114.58 123.75 2c3m h GLU 1155Ca 0.03 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 2c3m h GLU 1155Cb 0.77 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2c3m h GLU 1155CO 0.05 0.22 -0.46 1.37 -1.00 0.00 0.00 179.01 179.19 2c3m h LEU 1156N 0.34 0.00 -0.12 1.33 8.10 -1.40 -0.63 115.31 122.94 2c3m h LEU 1156Ca 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.14 2c3m h LEU 1156Cb 0.12 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.33 2c3m h LEU 1156CO -0.15 0.46 -0.01 -0.78 -4.11 0.00 0.00 178.44 173.85 2c3m h ASP 1157N 0.00 0.21 -0.56 0.17 3.58 -1.07 -0.59 116.42 118.16 2c3m h ASP 1157Ca -0.00 -0.34 -0.07 0.00 0.42 0.00 0.00 57.03 57.04 2c3m h ASP 1157Cb 0.88 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 2c3m h ASP 1157CO 0.06 0.50 0.06 0.58 -2.88 0.00 0.00 179.24 177.56 2c3m h VAL 1158N -0.08 1.26 -0.49 2.25 2.07 -1.18 -2.58 116.25 117.50 2c3m h VAL 1158Ca 0.03 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 2c3m h VAL 1158Cb 0.40 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2c3m h VAL 1158CO 0.01 0.37 0.14 -0.09 0.02 0.00 0.00 177.57 178.02 2c3m h ARG 1159N 0.84 0.77 -0.67 1.57 2.43 -1.04 -1.24 114.38 117.04 2c3m h ARG 1159Ca 0.17 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2c3m h ARG 1159Cb 0.46 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2c3m h ARG 1159CO 0.02 0.74 0.35 0.35 -1.51 0.00 0.00 179.97 179.91 2c3m h PHE 1160N 0.67 0.94 -0.69 2.20 3.57 -1.04 -0.29 116.94 122.30 2c3m h PHE 1160Ca 0.16 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2c3m h PHE 1160Cb 0.30 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2c3m h PHE 1160CO 0.02 0.68 0.44 0.87 -2.23 0.00 0.00 178.31 178.09 2c3m h LYS 1161N 0.92 0.92 -0.45 1.11 1.57 -1.19 0.95 116.57 120.40 2c3m h LYS 1161Ca 0.23 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2c3m h LYS 1161Cb 0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2c3m h LYS 1161CO -0.03 0.62 0.05 1.49 -0.57 0.00 0.00 179.45 181.00 2c3m h GLU 1162N 0.94 0.76 -0.38 3.15 4.57 -0.35 -1.74 114.58 121.53 2c3m h GLU 1162Ca 0.25 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 2c3m h GLU 1162Cb -0.08 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 2c3m h GLU 1162CO -0.05 0.80 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.49 2c3m h LEU 1163N 0.62 0.57 -0.42 1.64 3.38 -0.15 -1.66 115.31 119.29 2c3m h LEU 1163Ca 0.13 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2c3m h LEU 1163Cb 0.43 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2c3m h LEU 1163CO 0.01 0.65 0.07 -0.33 0.09 0.00 0.00 178.44 178.94 2c3m h GLU 1164N 0.57 0.69 -0.51 1.13 5.08 -0.49 -1.70 114.58 119.35 2c3m h GLU 1164Ca 0.12 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2c3m h GLU 1164Cb 0.39 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2c3m h GLU 1164CO 0.02 0.72 0.31 1.25 -1.00 0.00 0.00 179.01 180.31 2c3m h HIS 1165N 0.54 0.68 -0.85 4.33 2.76 -0.94 -2.21 115.15 119.46 2c3m h HIS 1165Ca 0.13 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.39 2c3m h HIS 1165Cb 0.36 -0.22 -0.07 0.00 1.55 0.00 0.00 27.41 29.03 2c3m h HIS 1165CO 0.02 0.47 0.50 0.52 -1.30 0.00 0.00 177.93 178.14 2c3m h MET 1166N 0.69 0.80 0.00 5.26 2.86 -1.06 0.28 114.93 123.75 2c3m h MET 1166Ca 0.18 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2c3m h MET 1166Cb -0.01 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.47 2c3m h MET 1166CO -0.03 0.53 0.00 0.00 1.06 0.00 0.00 176.91 178.46 2c3m n ALA 1167N -2.37 1.67 0.41 6.32 0.00 -0.66 -2.99 120.51 122.88 2c3m n ALA 1167Ca 0.14 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.70 2c3m n ALA 1167Cb 0.29 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 2c3m n ALA 1167CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c3m n ALA 1168N -1.73 3.27 -1.32 0.00 0.00 -0.09 -4.99 120.51 115.66 2c3m n ALA 1168Ca 0.02 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.79 2c3m n ALA 1168Cb 0.22 -0.43 0.10 0.00 0.00 0.00 0.00 19.45 19.34 2c3m n ALA 1168CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2c3m s THR 1169N -2.34 2.15 -0.96 0.00 -1.32 -0.20 -4.93 115.64 108.05 2c3m s THR 1169Ca 0.02 0.07 0.10 0.00 -1.21 0.00 0.00 61.69 60.68 2c3m s THR 1169Cb 0.09 -2.65 0.26 0.00 -1.51 0.00 0.00 72.50 68.69 2c3m s THR 1169CO 0.50 -0.04 1.18 0.59 -2.21 0.00 0.00 174.62 174.64 2c3m n ASN 1170N -2.83 2.72 -4.48 8.08 5.03 -1.26 -4.87 115.26 117.65 2c3m n ASN 1170Ca 0.14 -1.91 -0.41 0.00 0.87 0.00 0.00 54.58 53.28 2c3m n ASN 1170Cb 0.50 -0.18 -0.11 0.00 -1.02 0.00 0.00 39.78 38.97 2c3m n ASN 1170CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2c3m s ILE 1171N -0.98 5.08 -0.21 2.41 -1.09 -1.26 -5.04 121.20 120.11 2c3m s ILE 1171Ca 0.21 -0.41 -0.31 0.00 -2.23 0.00 0.00 60.65 57.91 2c3m s ILE 1171Cb 0.11 -3.67 0.15 0.00 -1.58 0.00 0.00 42.46 37.47 2c3m s ILE 1171CO 0.15 -0.08 1.17 0.72 -1.23 0.00 0.00 174.94 175.67 2c3m s PHE 1172N 1.68 -0.19 0.12 3.97 -0.71 -1.26 -5.05 117.98 116.53 2c3m s PHE 1172Ca 0.05 0.28 -0.30 0.00 -1.04 0.00 0.00 56.93 55.92 2c3m s PHE 1172Cb -0.18 0.48 -0.07 0.00 -1.21 0.00 0.00 43.02 42.05 2c3m s PHE 1172CO 0.09 -0.21 1.14 -1.21 -1.34 0.00 0.00 175.22 173.69 2c3m s GLU 1173N -1.46 4.52 -0.36 1.99 2.02 -1.26 -4.97 118.70 119.17 2c3m s GLU 1173Ca 0.05 1.73 0.13 0.00 0.02 0.00 0.00 54.97 56.90 2c3m s GLU 1173Cb -0.01 -3.31 0.37 0.00 0.10 0.00 0.00 34.13 31.28 2c3m s GLU 1173CO -0.04 -0.07 0.78 -1.13 0.02 0.00 0.00 175.26 174.82 2c3m n SER 1174N 3.07 0.81 -3.65 -0.19 3.41 -1.26 -4.51 113.62 111.30 2c3m n SER 1174Ca 0.05 -2.98 -0.12 0.00 -0.26 0.00 0.00 58.87 55.57 2c3m n SER 1174Cb 0.46 -0.51 0.03 0.00 -0.26 0.00 0.00 64.21 63.93 2c3m n SER 1174CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2c3m n PHE 1175N 0.22 -2.20 -1.54 7.33 7.35 -1.26 -4.94 117.46 122.42 2c3m n PHE 1175Ca 0.22 -1.23 -0.51 0.00 -0.76 0.00 0.00 57.45 55.16 2c3m n PHE 1175Cb 0.69 -0.30 -0.05 0.00 0.35 0.00 0.00 39.48 40.17 2c3m n PHE 1175CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2c3m n ALA 1176N -2.55 -1.72 -0.26 3.13 0.00 -1.26 -4.87 120.51 112.97 2c3m n ALA 1176Ca -0.08 0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.80 2c3m n ALA 1176Cb 0.34 -1.91 0.05 0.00 0.00 0.00 0.00 19.45 17.94 2c3m n ALA 1176CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2c3m h PRO 1177N 3.01 0.97 0.00 0.00 0.11 -1.96 -3.48 132.00 130.65 2c3m h PRO 1177Ca -0.43 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2c3m h PRO 1177Cb 1.38 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2c3m h PRO 1177CO 0.67 0.70 0.00 0.00 -0.21 0.00 0.00 178.00 179.17 2c3m n ALA 1178N -2.33 0.00 -0.22 -0.75 0.00 -1.26 -5.18 120.51 110.77 2c3m n ALA 1178Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 2c3m n ALA 1178Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.92 0.00 0.00 0.00 -1.26 -5.06 105.19 95.95 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 -1.80 0.25 5.00 -0.02 0.00 -1.26 -5.04 105.19 102.32 2c3m n GLY 1180Ca -0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 1.61 5.02 -1.26 -4.97 118.16 118.56 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 0.00 -3.26 7.82 0.00 -1.26 -4.73 120.51 119.08 2c3m n ALA 1182Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2c3m n ALA 1182Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 -4.00 3.86 0.00 0.00 2.15 -1.26 -5.05 116.67 112.37 2c3m s ASP 1183Ca 0.00 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2c3m s ASP 1183Cb 0.00 -1.59 0.00 0.00 -0.30 0.00 0.00 42.92 41.03 2c3m s ASP 1183CO 0.00 0.12 0.00 0.61 -0.17 0.00 0.00 175.17 175.73 2c3m n GLY 1184N 3.82 2.96 3.84 2.66 0.00 -1.26 -5.16 105.19 112.06 2c3m n GLY 1184Ca -0.19 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.21 -0.05 1.61 1.04 -1.26 -5.14 113.70 109.69 2c3m s SER 1185Ca 0.00 -0.70 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 2c3m s SER 1185Cb 0.00 0.74 0.02 0.00 0.10 0.00 0.00 66.02 66.88 2c3m s SER 1185CO 0.00 -1.39 0.25 0.54 0.98 0.00 0.00 173.24 173.62 2c3m s VAL 1186N -3.68 0.04 0.29 5.02 0.11 -1.26 -5.15 120.40 115.77 2c3m s VAL 1186Ca 0.12 -0.33 -0.28 0.00 -2.93 0.00 0.00 61.98 58.56 2c3m s VAL 1186Cb -0.06 -0.47 -0.10 0.00 -1.53 0.00 0.00 36.38 34.23 2c3m s VAL 1186CO 0.08 -0.18 0.95 -0.62 -3.33 0.00 0.00 175.10 171.99 2c3m s ASP 1187N -0.73 7.46 0.51 3.54 -1.08 -1.26 -4.94 116.67 120.16 2c3m s ASP 1187Ca -0.08 1.89 0.34 0.00 -0.52 0.00 0.00 52.55 54.17 2c3m s ASP 1187Cb -0.04 -2.59 1.84 0.00 -1.46 0.00 0.00 42.92 40.67 2c3m s ASP 1187CO 0.02 0.02 2.04 2.19 0.52 0.00 0.00 175.17 179.95 2c3m h PHE 1188N 3.56 0.00 -0.01 -5.34 -5.15 -2.02 -1.91 116.94 106.07 2c3m h PHE 1188Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 2c3m h PHE 1188Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.37 2c3m h PHE 1188CO 0.61 0.00 -0.58 0.41 -2.00 0.00 0.00 178.31 176.75 2c3m n GLY 1189N -1.18 -0.46 3.68 6.09 0.00 -1.26 -4.87 105.19 107.19 2c3m n GLY 1189Ca -0.02 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.65 2.51 -1.13 1.61 1.02 -0.72 -1.94 120.64 121.36 2c3m n GLU 1190Ca 0.08 0.92 -0.04 0.00 -0.02 0.00 0.00 57.16 58.09 2c3m n GLU 1190Cb 0.40 -2.79 -0.02 0.00 -0.02 0.00 0.00 31.44 29.01 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 4.22 0.63 3.77 0.62 0.00 -1.26 -4.99 105.19 108.17 2c3m n GLY 1191Ca 0.20 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.84 2.94 -0.07 4.61 0.00 -0.82 -4.93 121.76 121.64 2c3m s ALA 1192Ca 0.00 0.98 0.21 0.00 0.00 0.00 0.00 51.96 53.15 2c3m s ALA 1192Cb 0.00 -3.41 0.51 0.00 0.00 0.00 0.00 23.12 20.23 2c3m s ALA 1192CO 0.00 -0.76 1.65 0.93 0.00 0.00 0.00 175.76 177.58 2c3m h GLU 1193N 1.92 0.00 -5.25 0.00 3.07 -1.94 -3.46 114.58 108.92 2c3m h GLU 1193Ca -0.50 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 57.95 2c3m h GLU 1193Cb 1.26 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.02 2c3m h GLU 1193CO 0.60 0.29 -0.68 -0.06 -1.40 0.00 0.00 179.01 177.75 2c3m s PHE 1194N -3.32 1.65 0.27 4.33 0.40 -1.26 -4.52 117.98 115.52 2c3m s PHE 1194Ca 0.03 -0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 55.26 2c3m s PHE 1194Cb 0.08 -0.92 -0.14 0.00 0.51 0.00 0.00 43.02 42.56 2c3m s PHE 1194CO 0.68 0.11 1.25 0.00 0.70 0.00 0.00 175.22 177.96 2c3m n THR 1196N 1.04 0.00 -4.31 0.00 -1.04 -1.26 -4.97 114.28 103.74 2c3m n THR 1196Ca 0.10 -0.26 -0.18 0.00 -2.04 0.00 0.00 64.05 61.67 2c3m n THR 1196Cb 0.32 0.92 -0.10 0.00 -1.82 0.00 0.00 70.33 69.65 2c3m n THR 1196CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2c3m s ARG 1197N -2.05 1.21 0.32 -2.82 0.52 -1.26 -5.01 118.95 109.86 2c3m s ARG 1197Ca 0.03 -1.49 0.02 0.00 -0.52 0.00 0.00 55.73 53.77 2c3m s ARG 1197Cb 0.08 -0.98 0.06 0.00 0.52 0.00 0.00 34.95 34.62 2c3m s ARG 1197CO 0.42 0.16 0.44 -0.40 0.02 0.00 0.00 175.30 175.95 2c3m n ASP 1198N -0.15 0.79 -2.02 0.23 3.85 -1.26 -5.01 116.55 112.98 2c3m n ASP 1198Ca -0.10 -1.62 -0.21 0.00 -0.71 0.00 0.00 54.79 52.16 2c3m n ASP 1198Cb 0.60 -0.27 0.14 0.00 -1.35 0.00 0.00 41.12 40.24 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 -2.85 4.03 -4.94 -1.12 8.00 -1.26 -4.84 116.55 113.58 2c3m n ASP 1199Ca 0.08 -3.33 -0.27 0.00 0.71 0.00 0.00 54.79 51.98 2c3m n ASP 1199Cb 0.28 -0.80 -0.03 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.83 5.31 0.39 -3.53 2.01 -1.26 -5.00 115.64 110.74 2c3m s THR 1200Ca 0.47 -0.66 0.29 0.00 0.31 0.00 0.00 61.69 62.10 2c3m s THR 1200Cb 0.39 -3.72 0.31 0.00 0.01 0.00 0.00 72.50 69.50 2c3m s THR 1200CO 0.08 -0.07 2.08 -0.65 -0.69 0.00 0.00 174.62 175.37 2c3m h PRO 1201N 2.25 0.00 -0.08 4.92 0.11 -1.97 -2.91 132.00 134.31 2c3m h PRO 1201Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2c3m h PRO 1201Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2c3m h PRO 1201CO 0.69 0.10 -0.41 0.52 -0.21 0.00 0.00 178.00 178.70 2c3m h MET 1202N 0.00 0.18 -0.00 1.05 2.86 -1.97 -3.07 114.93 113.98 2c3m h MET 1202Ca -0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2c3m h MET 1202Cb 0.34 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2c3m h MET 1202CO 0.01 0.57 -0.68 -1.33 1.06 0.00 0.00 176.91 176.54 2c3m n MET 1203N -4.03 0.10 -1.71 1.72 2.81 -1.11 -4.95 117.12 109.95 2c3m n MET 1203Ca -0.02 -0.07 -0.43 0.00 -1.81 0.00 0.00 57.70 55.37 2c3m n MET 1203Cb 0.47 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.46 2c3m n MET 1203CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c3m n ALA 1204N -1.39 2.13 -2.16 3.04 0.00 -1.16 -4.96 120.51 116.01 2c3m n ALA 1204Ca 0.05 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.79 2c3m n ALA 1204Cb 0.34 -2.42 -0.10 0.00 0.00 0.00 0.00 19.45 17.27 2c3m n ALA 1204CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2c3m s ARG 1205N 0.04 0.88 0.30 0.00 1.81 -1.26 -5.02 118.95 115.71 2c3m s ARG 1205Ca 0.69 -1.40 0.05 0.00 -1.72 0.00 0.00 55.73 53.36 2c3m s ARG 1205Cb -0.56 0.08 0.79 0.00 -0.45 0.00 0.00 34.95 34.81 2c3m s ARG 1205CO 0.44 -0.17 1.69 -1.35 -0.68 0.00 0.00 175.30 175.23 2c3m h PRO 1206N 2.90 0.37 -0.52 3.54 0.11 -2.04 -1.24 132.00 135.13 2c3m h PRO 1206Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2c3m h PRO 1206Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2c3m h PRO 1206CO 0.62 0.25 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 2c3m n ASP 1207N -5.05 3.16 -4.91 -2.05 8.00 -1.26 -4.95 116.55 109.49 2c3m n ASP 1207Ca 0.24 -1.97 -0.28 0.00 0.71 0.00 0.00 54.79 53.49 2c3m n ASP 1207Cb 0.71 -0.34 0.05 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.17 5.20 0.00 -2.24 1.04 -0.47 -4.62 113.70 111.43 2c3m s SER 1208Ca 0.40 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2c3m s SER 1208Cb 0.21 -1.58 0.00 0.00 0.10 0.00 0.00 66.02 64.75 2c3m s SER 1208CO 0.29 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.71 2c3m n GLY 1209N -2.92 0.96 3.83 7.32 0.00 -1.26 -4.86 105.19 108.25 2c3m n GLY 1209Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.24 3.61 0.35 1.61 2.12 -1.26 -5.01 118.70 119.87 2c3m s GLU 1210Ca 0.00 1.04 -0.26 0.00 0.36 0.00 0.00 54.97 56.11 2c3m s GLU 1210Cb 0.00 -2.08 -0.09 0.00 0.26 0.00 0.00 34.13 32.22 2c3m s GLU 1210CO 0.00 -0.56 1.08 0.00 -0.54 0.00 0.00 175.26 175.24 2c3m s ALA 1211N -2.62 3.21 0.21 6.30 0.00 -1.26 -5.04 121.76 122.56 2c3m s ALA 1211Ca 0.60 0.81 -0.20 0.00 0.00 0.00 0.00 51.96 53.17 2c3m s ALA 1211Cb -0.13 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.73 2c3m s ALA 1211CO 0.37 -0.23 0.60 0.00 0.00 0.00 0.00 175.76 176.49 2c3m s ASP 1213N -2.85 6.87 -0.09 0.00 -1.08 -1.26 -4.77 116.67 113.50 2c3m s ASP 1213Ca 0.07 1.05 0.08 0.00 -0.52 0.00 0.00 52.55 53.23 2c3m s ASP 1213Cb -0.02 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.28 2c3m s ASP 1213CO -0.03 -0.93 1.16 1.67 0.52 0.00 0.00 175.17 177.56 2c3m n GLN 1214N 7.00 2.67 -1.95 4.34 7.27 -1.26 -0.24 117.38 135.21 2c3m n GLN 1214Ca 0.12 -1.52 -0.14 0.00 0.07 0.00 0.00 57.00 55.54 2c3m n GLN 1214Cb 0.47 -1.73 -0.03 0.00 2.41 0.00 0.00 30.24 31.36 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 0.38 -4.47 -0.99 1.69 3.02 -1.26 -4.88 115.26 108.76 2c3m n ASN 1215Ca 0.14 0.12 0.10 0.00 -0.03 0.00 0.00 54.58 54.91 2c3m n ASN 1215Cb 0.62 -3.48 0.17 0.00 -0.61 0.00 0.00 39.78 36.48 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 -2.44 2.26 -0.01 3.52 1.74 -1.26 -4.22 116.66 116.24 2c3m n ARG 1216Ca -0.16 -2.08 0.01 0.00 -0.77 0.00 0.00 57.85 54.85 2c3m n ARG 1216Cb 0.57 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.58 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 1.26 2.22 0.00 7.54 0.00 -1.26 -5.11 120.51 125.16 2c3m n ALA 1217Ca 0.16 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2c3m n ALA 1217Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.17 -3.46 3.71 0.00 0.00 -1.26 -4.56 105.19 99.45 2c3m n GLY 1218Ca 0.01 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 2c3m n GLY 1218CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c3m s THR 1219N -0.88 2.44 0.22 2.61 2.01 -1.26 -4.75 115.64 116.03 2c3m s THR 1219Ca 0.00 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.08 2c3m s THR 1219Cb 0.00 -2.40 0.17 0.00 0.01 0.00 0.00 72.50 70.29 2c3m s THR 1219CO 0.00 -0.17 1.83 0.28 -0.69 0.00 0.00 174.62 175.86 2c3m h SER 1220N -1.38 0.67 -0.41 3.53 0.02 -1.99 0.26 113.55 114.25 2c3m h SER 1220Ca -0.44 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.44 2c3m h SER 1220Cb 1.26 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2c3m h SER 1220CO 0.46 0.43 -0.13 -0.08 -1.14 0.00 0.00 176.83 176.37 2c3m h GLU 1221N 0.81 0.82 -0.66 3.45 4.81 -1.99 -1.27 114.58 120.55 2c3m h GLU 1221Ca 0.33 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2c3m h GLU 1221Cb 0.18 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2c3m h GLU 1221CO -0.18 0.95 0.27 1.96 -0.73 0.00 0.00 179.01 181.28 2c3m h GLN 1222N 0.63 0.96 -0.33 1.92 4.20 -1.77 0.13 115.11 120.85 2c3m h GLN 1222Ca 0.10 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 2c3m h GLN 1222Cb 0.66 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2c3m h GLN 1222CO 0.05 0.77 -0.31 1.96 -0.67 0.00 0.00 178.83 180.63 2c3m h GLN 1223N 0.94 0.79 -0.55 1.46 4.20 -0.83 -0.87 115.11 120.26 2c3m h GLN 1223Ca 0.22 -0.41 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 2c3m h GLN 1223Cb 0.17 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2c3m h GLN 1223CO -0.02 1.04 0.20 0.78 -0.67 0.00 0.00 178.83 180.16 2c3m h GLY 1224N 0.57 0.90 1.06 3.46 0.00 -0.80 -0.49 103.07 107.77 2c3m h GLY 1224Ca 0.05 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 2c3m h GLY 1224CO 0.08 0.48 0.12 -1.80 0.00 0.00 0.00 176.54 175.42 2c3m h ASP 1225N 0.75 1.04 -0.78 0.19 3.58 -0.68 -1.06 116.42 119.47 2c3m h ASP 1225Ca 0.18 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 2c3m h ASP 1225Cb 0.24 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 2c3m h ASP 1225CO -0.01 1.03 0.28 0.25 -2.88 0.00 0.00 179.24 177.91 2c3m h LEU 1226N 1.01 1.10 -0.58 2.28 5.85 -0.86 0.50 115.31 124.61 2c3m h LEU 1226Ca 0.20 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2c3m h LEU 1226Cb 0.42 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2c3m h LEU 1226CO 0.01 0.99 0.22 -1.28 -0.34 0.00 0.00 178.44 178.05 2c3m h SER 1227N 1.14 0.81 -0.50 1.25 0.87 -0.71 0.49 113.55 116.90 2c3m h SER 1227Ca 0.26 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.55 2c3m h SER 1227Cb 0.26 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2c3m h SER 1227CO -0.02 0.76 -0.02 0.50 -0.53 0.00 0.00 176.83 177.53 2c3m h LYS 1228N 0.80 0.94 -0.13 2.24 3.64 -0.76 -2.54 116.57 120.76 2c3m h LYS 1228Ca 0.19 -0.29 -0.18 0.00 -1.27 0.00 0.00 60.65 59.10 2c3m h LYS 1228Cb 0.21 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2c3m h LYS 1228CO -0.01 0.94 -0.67 0.00 -2.27 0.00 0.00 179.45 177.44 2c3m h ARG 1229N 0.86 0.51 -1.00 1.90 3.08 -0.56 -3.11 114.38 116.06 2c3m h ARG 1229Ca 0.16 -0.38 -0.46 0.00 0.07 0.00 0.00 59.98 59.36 2c3m h ARG 1229Cb 0.54 0.07 -0.27 0.00 0.08 0.00 0.00 29.97 30.38 2c3m h ARG 1229CO 0.03 1.00 0.59 0.25 -1.07 0.00 0.00 179.97 180.77 2c3m n THR 1230N -3.89 2.97 -0.15 2.04 -2.24 0.13 -4.77 114.28 108.36 2c3m n THR 1230Ca -0.04 -1.73 -0.04 0.00 -2.27 0.00 0.00 64.05 59.97 2c3m n THR 1230Cb 0.68 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.94 -0.15 -0.44 -0.78 2.85 -0.97 -4.98 118.16 112.76 2c3m n LYS 1231Ca 0.53 0.67 0.00 0.00 -1.05 0.00 0.00 58.31 58.46 2c3m n LYS 1231Cb 1.50 -0.99 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 2c3m n LYS 1231CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98