#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c42 n LYS 3 N 0.00 4.95 -3.59 1.61 5.02 -1.26 -4.66 118.16 120.24 2c42 n LYS 3 Ca 0.00 -4.71 -0.41 0.00 -2.02 0.00 0.00 58.31 51.17 2c42 n LYS 3 Cb 0.00 -2.42 -0.11 0.00 -0.02 0.00 0.00 35.03 32.48 2c42 n LYS 3 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2c42 s LYS 4 N -4.12 2.87 0.11 1.97 2.36 -1.26 -5.06 119.74 116.61 2c42 s LYS 4 Ca 0.41 -1.05 -0.31 0.00 -2.55 0.00 0.00 55.97 52.47 2c42 s LYS 4 Cb 0.21 -3.75 -0.08 0.00 -1.05 0.00 0.00 37.83 33.16 2c42 s LYS 4 CO -0.13 -0.69 1.49 -1.64 1.55 0.00 0.00 175.35 175.93 2c42 s MET 5 N 1.57 4.26 0.02 4.03 -1.94 -1.26 -4.62 119.30 121.37 2c42 s MET 5 Ca 0.02 2.19 0.01 0.00 -1.71 0.00 0.00 55.69 56.21 2c42 s MET 5 Cb -0.19 -3.32 -0.02 0.00 2.01 0.00 0.00 34.83 33.31 2c42 s MET 5 CO 0.07 -0.56 -0.05 -1.64 -0.01 0.00 0.00 175.02 172.84 2c42 s MET 6 N 1.55 0.36 0.05 2.03 -1.94 -0.21 -4.79 119.30 116.36 2c42 s MET 6 Ca 0.68 -0.55 -0.25 0.00 -1.71 0.00 0.00 55.69 53.85 2c42 s MET 6 Cb -0.39 -0.10 -0.06 0.00 2.01 0.00 0.00 34.83 36.30 2c42 s MET 6 CO 0.30 0.01 0.78 0.95 -0.01 0.00 0.00 175.02 177.05 2c42 s THR 7 N -1.13 4.70 0.21 2.05 -4.23 -1.26 -1.27 115.64 114.71 2c42 s THR 7 Ca -0.10 1.66 -0.23 0.00 -1.18 0.00 0.00 61.69 61.84 2c42 s THR 7 Cb -0.08 -4.13 0.04 0.00 1.34 0.00 0.00 72.50 69.67 2c42 s THR 7 CO -0.00 0.37 0.80 0.28 -0.54 0.00 0.00 174.62 175.53 2c42 s THR 8 N -0.10 0.00 0.43 3.99 -1.32 -0.23 -4.94 115.64 113.47 2c42 s THR 8 Ca 0.39 -0.76 0.08 0.00 -1.21 0.00 0.00 61.69 60.19 2c42 s THR 8 Cb -0.21 -1.88 0.01 0.00 -1.51 0.00 0.00 72.50 68.91 2c42 s THR 8 CO 0.24 0.00 0.53 1.51 -2.21 0.00 0.00 174.62 174.69 2c42 s ASP 9 N -2.90 5.46 0.24 8.08 3.84 -1.26 -1.01 116.67 129.13 2c42 s ASP 9 Ca 0.10 -0.54 -0.04 0.00 -0.00 0.00 0.00 52.55 52.07 2c42 s ASP 9 Cb -0.04 -0.57 0.42 0.00 -1.38 0.00 0.00 42.92 41.35 2c42 s ASP 9 CO 0.03 -0.77 1.77 1.23 -0.00 0.00 0.00 175.17 177.44 2c42 h GLY 10 N 0.72 1.21 0.89 2.12 0.00 -1.31 -0.88 103.07 105.83 2c42 h GLY 10 Ca -0.40 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 2c42 h GLY 10 CO 0.48 0.02 0.01 3.43 0.00 0.00 0.00 176.54 180.49 2c42 h ASN 11 N 0.62 0.03 -0.69 0.19 2.35 -1.59 -2.18 115.58 114.33 2c42 h ASN 11 Ca 0.40 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.97 2c42 h ASN 11 Cb 0.49 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 2c42 h ASN 11 CO -0.31 0.13 0.16 0.74 -1.65 0.00 0.00 177.43 176.50 2c42 h THR 12 N -0.07 1.26 -0.88 2.81 2.02 -1.76 0.16 112.91 116.44 2c42 h THR 12 Ca 0.01 -0.98 0.02 0.00 0.77 0.00 0.00 66.41 66.23 2c42 h THR 12 Cb 0.11 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 2c42 h THR 12 CO -0.00 0.37 0.58 0.00 0.37 0.00 0.00 175.52 176.85 2c42 h ALA 13 N 1.11 1.40 -0.01 6.16 0.00 -1.09 -0.40 119.26 126.44 2c42 h ALA 13 Ca 0.22 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2c42 h ALA 13 Cb 0.38 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2c42 h ALA 13 CO 0.00 0.53 -0.25 1.15 0.00 0.00 0.00 179.25 180.68 2c42 h THR 14 N 1.16 1.52 -0.71 0.00 2.02 -0.92 -3.28 112.91 112.71 2c42 h THR 14 Ca 0.34 -1.89 0.03 0.00 0.77 0.00 0.00 66.41 65.65 2c42 h THR 14 Cb -0.06 2.69 -0.04 0.00 -1.74 0.00 0.00 68.15 69.00 2c42 h THR 14 CO -0.09 0.52 0.47 0.00 0.37 0.00 0.00 175.52 176.79 2c42 h ALA 15 N 0.29 1.59 -0.53 6.16 0.00 -0.50 -0.40 119.26 125.87 2c42 h ALA 15 Ca -0.03 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.95 2c42 h ALA 15 Cb 0.99 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 2c42 h ALA 15 CO 0.05 0.34 -0.12 1.25 0.00 0.00 0.00 179.25 180.77 2c42 h HIS 16 N 0.86 -0.26 -0.03 0.00 6.17 -1.13 -0.69 115.15 120.08 2c42 h HIS 16 Ca 0.28 0.05 -0.04 0.00 0.71 0.00 0.00 60.37 61.37 2c42 h HIS 16 Cb 0.05 0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.18 2c42 h HIS 16 CO -0.00 -0.22 -0.14 0.28 0.71 0.00 0.00 177.93 178.56 2c42 h VAL 17 N 0.01 1.49 -0.74 5.26 2.07 -1.40 -3.24 116.25 119.69 2c42 h VAL 17 Ca 0.26 -1.63 0.11 0.00 0.82 0.00 0.00 66.70 66.26 2c42 h VAL 17 Cb 0.39 2.48 -0.08 0.00 -1.52 0.00 0.00 31.29 32.56 2c42 h VAL 17 CO -0.54 0.44 0.35 0.00 0.02 0.00 0.00 177.57 177.85 2c42 h ALA 18 N 0.38 1.04 -0.17 1.67 0.00 -0.76 -1.73 119.26 119.68 2c42 h ALA 18 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2c42 h ALA 18 Cb 0.79 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2c42 h ALA 18 CO 0.03 -0.10 0.11 -0.92 0.00 0.00 0.00 179.25 178.37 2c42 h TYR 19 N 0.56 0.23 -0.78 0.00 3.20 -1.24 -2.32 116.97 116.62 2c42 h TYR 19 Ca 0.38 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 2c42 h TYR 19 Cb 0.47 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 2c42 h TYR 19 CO -0.12 0.17 0.44 0.00 -1.64 0.00 0.00 178.16 177.01 2c42 h ALA 20 N 1.03 1.00 -0.09 1.82 0.00 -1.43 -3.07 119.26 118.52 2c42 h ALA 20 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2c42 h ALA 20 Cb 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2c42 h ALA 20 CO -0.01 0.51 0.00 -1.33 0.00 0.00 0.00 179.25 178.42 2c42 n MET 21 N -4.43 1.61 -4.41 0.00 2.81 -0.71 -1.21 117.12 110.78 2c42 n MET 21 Ca 0.07 -0.90 -0.25 0.00 -1.81 0.00 0.00 57.70 54.82 2c42 n MET 21 Cb 0.09 -1.42 -0.11 0.00 -0.71 0.00 0.00 33.22 31.07 2c42 n MET 21 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2c42 s SER 22 N -1.74 3.23 -0.11 7.83 0.01 -0.88 -4.85 113.70 117.19 2c42 s SER 22 Ca 0.35 -0.90 0.08 0.00 1.31 0.00 0.00 55.95 56.78 2c42 s SER 22 Cb 0.18 -0.23 -0.12 0.00 0.21 0.00 0.00 66.02 66.06 2c42 s SER 22 CO 0.29 0.05 0.01 -0.62 0.41 0.00 0.00 173.24 173.38 2c42 n GLU 23 N 0.07 1.95 -4.13 12.44 1.02 -0.02 -4.82 120.64 127.14 2c42 n GLU 23 Ca -0.11 0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 56.89 2c42 n GLU 23 Cb 0.57 -1.26 -0.12 0.00 -0.02 0.00 0.00 31.44 30.61 2c42 n GLU 23 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2c42 s VAL 24 N -2.25 0.70 -0.08 2.62 1.01 -0.69 -1.30 120.40 120.41 2c42 s VAL 24 Ca -0.07 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 2c42 s VAL 24 Cb 0.03 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.75 2c42 s VAL 24 CO 0.40 -0.23 0.18 0.00 0.00 0.00 0.00 175.10 175.45 2c42 s ALA 25 N -1.11 -0.38 -0.20 5.51 0.00 -0.10 -1.79 121.76 123.68 2c42 s ALA 25 Ca -0.05 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 2c42 s ALA 25 Cb -0.09 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2c42 s ALA 25 CO 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 175.76 175.51 2c42 s ALA 26 N 1.08 2.66 0.33 0.00 0.00 -1.21 -1.75 121.76 122.87 2c42 s ALA 26 Ca -0.08 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 50.76 2c42 s ALA 26 Cb -0.10 -1.52 -0.07 0.00 0.00 0.00 0.00 23.12 21.44 2c42 s ALA 26 CO -0.06 -0.37 0.01 0.96 0.00 0.00 0.00 175.76 176.30 2c42 s ILE 27 N 1.37 1.54 -0.25 0.00 -4.36 -0.38 -4.64 121.20 114.47 2c42 s ILE 27 Ca 0.05 -2.04 -0.20 0.00 -0.26 0.00 0.00 60.65 58.20 2c42 s ILE 27 Cb -0.14 -2.75 0.07 0.00 1.25 0.00 0.00 42.46 40.89 2c42 s ILE 27 CO -0.06 -0.08 0.66 -0.47 0.24 0.00 0.00 174.94 175.23 2c42 s TYR 28 N -3.06 -0.83 0.16 1.37 5.04 -1.26 -1.44 117.35 117.33 2c42 s TYR 28 Ca 0.34 1.86 -0.30 0.00 -2.44 0.00 0.00 57.07 56.54 2c42 s TYR 28 Cb 0.08 0.37 -0.07 0.00 0.35 0.00 0.00 41.96 42.69 2c42 s TYR 28 CO 0.15 -0.41 1.04 -1.25 -1.34 0.00 0.00 175.55 173.75 2c42 s PRO 29 N 0.81 4.65 -0.29 4.97 0.04 -1.26 -4.87 135.00 139.06 2c42 s PRO 29 Ca -0.04 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.46 2c42 s PRO 29 Cb -0.05 -3.31 0.10 0.00 0.04 0.00 0.00 34.50 31.28 2c42 s PRO 29 CO -0.06 0.15 0.74 -1.50 0.04 0.00 0.00 177.00 176.36 2c42 s ILE 30 N -0.20 -0.18 0.33 0.56 2.07 -1.26 -5.00 121.20 117.51 2c42 s ILE 30 Ca 0.48 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.43 2c42 s ILE 30 Cb -0.27 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.22 2c42 s ILE 30 CO 0.33 0.00 1.38 -0.89 -1.91 0.00 0.00 174.94 173.84 2c42 s THR 31 N 1.83 2.53 -0.35 4.00 2.01 -1.26 -0.78 115.64 123.62 2c42 s THR 31 Ca -0.09 0.52 0.08 0.00 0.31 0.00 0.00 61.69 62.51 2c42 s THR 31 Cb -0.06 -3.33 0.68 0.00 0.01 0.00 0.00 72.50 69.79 2c42 s THR 31 CO -0.19 0.12 1.77 -0.81 -0.69 0.00 0.00 174.62 174.82 2c42 n PRO 32 N 0.98 2.91 0.03 4.92 -0.04 -1.26 -4.90 135.00 137.64 2c42 n PRO 32 Ca 0.01 -3.07 0.11 0.00 -0.04 0.00 0.00 63.50 60.52 2c42 n PRO 32 Cb 0.41 -2.13 0.08 0.00 -0.04 0.00 0.00 33.50 31.82 2c42 n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2c42 n SER 33 N -0.65 0.63 -0.33 3.54 3.41 0.04 -4.46 113.62 115.80 2c42 n SER 33 Ca 0.45 -0.15 0.24 0.00 -0.26 0.00 0.00 58.87 59.15 2c42 n SER 33 Cb 1.41 0.58 0.47 0.00 -0.26 0.00 0.00 64.21 66.41 2c42 n SER 33 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2c42 h SER 34 N 0.00 0.39 -0.80 4.04 0.02 -1.78 -1.30 113.55 114.13 2c42 h SER 34 Ca 0.00 0.21 0.14 0.00 -0.84 0.00 0.00 61.79 61.30 2c42 h SER 34 Cb 0.70 0.19 -0.09 0.00 0.14 0.00 0.00 62.40 63.34 2c42 h SER 34 CO 0.00 -0.21 0.38 0.74 -1.14 0.00 0.00 176.83 176.60 2c42 h THR 35 N 0.24 0.71 -0.13 -2.27 2.02 -1.90 -1.82 112.91 109.75 2c42 h THR 35 Ca 0.74 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.73 2c42 h THR 35 Cb 1.72 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2c42 h THR 35 CO -0.65 0.10 0.08 0.24 0.37 0.00 0.00 175.52 175.66 2c42 h MET 36 N 0.55 0.17 -0.69 6.66 2.86 -1.53 0.33 114.93 123.29 2c42 h MET 36 Ca 0.43 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 58.03 2c42 h MET 36 Cb 0.62 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 2c42 h MET 36 CO -0.37 0.13 0.30 0.78 1.06 0.00 0.00 176.91 178.82 2c42 h GLY 37 N 0.16 1.09 1.18 8.32 0.00 -1.57 -0.20 103.07 112.05 2c42 h GLY 37 Ca 0.05 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 2c42 h GLY 37 CO -0.01 0.54 0.03 0.83 0.00 0.00 0.00 176.54 177.93 2c42 h GLU 38 N 0.97 0.99 -0.34 4.80 5.08 -1.11 -0.73 114.58 124.24 2c42 h GLU 38 Ca 0.23 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2c42 h GLU 38 Cb 0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2c42 h GLU 38 CO -0.02 0.95 0.03 0.93 -1.00 0.00 0.00 179.01 179.90 2c42 h GLU 39 N 0.92 0.58 -0.93 2.33 5.08 -0.59 0.09 114.58 122.06 2c42 h GLU 39 Ca 0.17 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2c42 h GLU 39 Cb 0.49 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2c42 h GLU 39 CO 0.02 0.67 0.61 0.00 -1.00 0.00 0.00 179.01 179.32 2c42 h ALA 40 N 0.88 1.17 -0.32 3.43 0.00 -0.81 0.87 119.26 124.48 2c42 h ALA 40 Ca 0.10 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2c42 h ALA 40 Cb 0.39 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2c42 h ALA 40 CO 0.01 0.57 -0.46 0.22 0.00 0.00 0.00 179.25 179.59 2c42 h ASP 41 N 1.25 0.95 -0.58 0.00 1.82 -0.91 -1.29 116.42 117.66 2c42 h ASP 41 Ca 0.34 -0.51 -0.10 0.00 -0.39 0.00 0.00 57.03 56.37 2c42 h ASP 41 Cb -0.14 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.58 2c42 h ASP 41 CO -0.08 1.27 -0.03 0.44 -1.61 0.00 0.00 179.24 179.23 2c42 h ASP 42 N 0.65 1.03 -0.60 2.28 3.32 -0.58 -1.03 116.42 121.49 2c42 h ASP 42 Ca 0.03 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.68 2c42 h ASP 42 Cb 1.06 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2c42 h ASP 42 CO 0.11 1.11 0.06 -0.50 -1.72 0.00 0.00 179.24 178.30 2c42 h TRP 43 N 0.94 1.10 -0.68 4.55 6.55 -0.78 -1.17 115.95 126.46 2c42 h TRP 43 Ca 0.16 -0.17 -0.04 0.00 0.95 0.00 0.00 58.89 59.80 2c42 h TRP 43 Cb 0.59 -0.30 -0.03 0.00 -0.86 0.00 0.00 29.16 28.57 2c42 h TRP 43 CO 0.04 0.95 0.28 0.00 -1.05 0.00 0.00 178.44 178.67 2c42 h ALA 44 N 1.01 0.89 -0.31 1.49 0.00 -1.02 -0.84 119.26 120.47 2c42 h ALA 44 Ca 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2c42 h ALA 44 Cb 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2c42 h ALA 44 CO 0.02 0.49 0.01 0.00 0.00 0.00 0.00 179.25 179.77 2c42 h ALA 45 N 1.13 1.44 0.00 0.00 0.00 -0.88 -1.00 119.26 119.95 2c42 h ALA 45 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2c42 h ALA 45 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2c42 h ALA 45 CO -0.02 0.40 0.00 1.04 0.00 0.00 0.00 179.25 180.67 2c42 n GLN 46 N -4.30 0.10 -0.70 0.00 6.02 -0.47 -4.92 117.38 113.11 2c42 n GLN 46 Ca 0.01 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2c42 n GLN 46 Cb 0.23 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.99 2c42 n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2c42 n GLY 47 N 1.09 0.60 3.76 1.08 0.00 -0.38 -5.03 105.19 106.32 2c42 n GLY 47 Ca 0.08 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 2c42 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2c42 s ARG 48 N -1.42 4.23 -0.03 1.61 3.52 -0.40 -4.83 118.95 121.63 2c42 s ARG 48 Ca 0.00 2.39 -0.07 0.00 -0.13 0.00 0.00 55.73 57.91 2c42 s ARG 48 Cb 0.00 -3.05 -0.05 0.00 -1.56 0.00 0.00 34.95 30.30 2c42 s ARG 48 CO 0.00 -0.41 0.24 0.15 -0.81 0.00 0.00 175.30 174.48 2c42 s LYS 49 N -1.31 3.57 0.06 5.12 -0.14 -1.26 -4.08 119.74 121.71 2c42 s LYS 49 Ca 0.55 -0.05 -0.01 0.00 -1.36 0.00 0.00 55.97 55.10 2c42 s LYS 49 Cb -0.43 -3.13 0.01 0.00 -1.68 0.00 0.00 37.83 32.60 2c42 s LYS 49 CO 0.52 0.69 0.09 0.27 -0.76 0.00 0.00 175.35 176.16 2c42 n ASN 50 N 1.43 0.05 0.11 2.83 0.23 0.84 -4.83 115.26 115.93 2c42 n ASN 50 Ca -0.14 -1.06 0.09 0.00 -0.53 0.00 0.00 54.58 52.94 2c42 n ASN 50 Cb 0.53 -0.06 0.44 0.00 -2.08 0.00 0.00 39.78 38.61 2c42 n ASN 50 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2c42 n ILE 51 N -1.84 1.14 0.32 1.53 -5.35 -0.35 -1.11 119.36 113.71 2c42 n ILE 51 Ca 0.01 0.53 0.11 0.00 -0.27 0.00 0.00 62.75 63.14 2c42 n ILE 51 Cb 0.04 -1.49 0.25 0.00 -1.74 0.00 0.00 39.64 36.70 2c42 n ILE 51 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2c42 n PHE 52 N -2.07 0.56 -1.11 4.28 3.01 -1.26 -4.93 117.46 115.95 2c42 n PHE 52 Ca 0.00 -0.28 -0.04 0.00 1.01 0.00 0.00 57.45 58.14 2c42 n PHE 52 Cb 0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.54 2c42 n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c42 n GLY 53 N 1.48 0.68 3.49 1.37 0.00 -0.26 -5.03 105.19 106.91 2c42 n GLY 53 Ca 0.20 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 2c42 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c42 s GLN 54 N -2.07 1.76 0.30 1.61 -1.52 -1.26 -4.76 119.66 113.72 2c42 s GLN 54 Ca 0.00 -1.40 -0.26 0.00 -1.95 0.00 0.00 55.36 51.74 2c42 s GLN 54 Cb 0.00 -1.99 -0.10 0.00 -0.22 0.00 0.00 33.01 30.70 2c42 s GLN 54 CO 0.00 0.42 0.93 0.95 -0.25 0.00 0.00 175.29 177.34 2c42 s THR 55 N -1.67 4.21 0.26 -0.19 -4.23 -1.26 -0.11 115.64 112.66 2c42 s THR 55 Ca 0.22 1.83 -0.30 0.00 -1.18 0.00 0.00 61.69 62.27 2c42 s THR 55 Cb -0.08 -4.05 -0.10 0.00 1.34 0.00 0.00 72.50 69.60 2c42 s THR 55 CO 0.12 0.20 1.48 -0.22 -0.54 0.00 0.00 174.62 175.66 2c42 s LEU 56 N -1.91 4.37 -0.46 4.79 2.96 -1.26 -4.94 118.68 122.23 2c42 s LEU 56 Ca 0.48 2.75 -0.19 0.00 -0.22 0.00 0.00 54.13 56.96 2c42 s LEU 56 Cb -0.20 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 42.91 2c42 s LEU 56 CO 0.25 -0.76 0.55 -0.89 -1.32 0.00 0.00 176.35 174.18 2c42 s THR 57 N -0.04 4.96 -0.06 3.68 2.01 -0.42 -4.86 115.64 120.90 2c42 s THR 57 Ca 0.60 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 62.26 2c42 s THR 57 Cb -0.44 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 67.90 2c42 s THR 57 CO 0.45 -0.63 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.12 2c42 s ILE 58 N 2.45 1.13 0.06 1.82 2.07 -1.26 -0.93 121.20 126.54 2c42 s ILE 58 Ca 0.15 -0.50 0.05 0.00 -1.41 0.00 0.00 60.65 58.94 2c42 s ILE 58 Cb -0.18 -1.02 -0.03 0.00 0.13 0.00 0.00 42.46 41.37 2c42 s ILE 58 CO 0.14 0.35 -0.13 -0.13 -1.91 0.00 0.00 174.94 173.25 2c42 s ARG 59 N 0.51 0.82 -0.18 3.50 1.81 -0.72 -4.99 118.95 119.70 2c42 s ARG 59 Ca -0.11 -0.85 -0.14 0.00 -1.72 0.00 0.00 55.73 52.91 2c42 s ARG 59 Cb -0.14 -0.80 -0.05 0.00 -0.45 0.00 0.00 34.95 33.51 2c42 s ARG 59 CO 0.03 0.18 0.29 -2.00 -0.68 0.00 0.00 175.30 173.12 2c42 s GLU 60 N -1.49 4.22 0.13 3.54 2.12 -1.26 -1.25 118.70 124.71 2c42 s GLU 60 Ca -0.02 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.37 2c42 s GLU 60 Cb -0.09 -3.46 0.03 0.00 0.26 0.00 0.00 34.13 30.86 2c42 s GLU 60 CO 0.02 0.16 0.19 -1.33 -0.54 0.00 0.00 175.26 173.76 2c42 n MET 61 N 3.85 0.62 0.06 4.30 2.81 -0.52 -4.94 117.12 123.30 2c42 n MET 61 Ca -0.12 -0.57 0.12 0.00 -1.81 0.00 0.00 57.70 55.33 2c42 n MET 61 Cb 0.52 -0.10 0.18 0.00 -0.71 0.00 0.00 33.22 33.10 2c42 n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c42 n GLN 62 N -1.33 0.28 -3.79 0.03 0.00 -1.26 -4.89 117.38 106.42 2c42 n GLN 62 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 57.00 57.10 2c42 n GLN 62 Cb 0.12 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 28.68 2c42 n GLN 62 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2c42 s SER 63 N -4.15 -0.07 0.43 2.61 1.04 -1.26 -2.17 113.70 110.12 2c42 s SER 63 Ca 0.06 -0.40 0.21 0.00 0.48 0.00 0.00 55.95 56.31 2c42 s SER 63 Cb 0.14 0.37 0.93 0.00 0.10 0.00 0.00 66.02 67.56 2c42 s SER 63 CO 0.72 -0.71 1.85 -0.33 0.98 0.00 0.00 173.24 175.76 2c42 h GLU 64 N 2.00 0.00 -0.54 4.02 3.07 -1.92 -0.99 114.58 120.21 2c42 h GLU 64 Ca -0.27 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.49 2c42 h GLU 64 Cb 1.21 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.11 2c42 h GLU 64 CO 0.30 0.28 -0.06 0.00 -1.40 0.00 0.00 179.01 178.13 2c42 h ALA 65 N 1.72 0.74 -0.45 3.43 0.00 -1.86 0.66 119.26 123.50 2c42 h ALA 65 Ca -0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 2c42 h ALA 65 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2c42 h ALA 65 CO 0.04 0.61 -0.23 0.78 0.00 0.00 0.00 179.25 180.46 2c42 h GLY 66 N 0.87 0.99 0.95 0.00 0.00 -1.77 -1.85 103.07 102.27 2c42 h GLY 66 Ca 0.14 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 2c42 h GLY 66 CO 0.04 0.80 0.17 0.00 0.00 0.00 0.00 176.54 177.54 2c42 h ALA 67 N 0.95 0.54 -0.62 3.60 0.00 -0.88 -1.03 119.26 121.82 2c42 h ALA 67 Ca 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2c42 h ALA 67 Cb 0.78 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2c42 h ALA 67 CO 0.06 0.15 0.13 0.00 0.00 0.00 0.00 179.25 179.59 2c42 h ALA 68 N 1.01 1.06 -0.61 0.00 0.00 -0.78 0.30 119.26 120.25 2c42 h ALA 68 Ca 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2c42 h ALA 68 Cb 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2c42 h ALA 68 CO -0.01 0.61 0.20 0.78 0.00 0.00 0.00 179.25 180.83 2c42 h GLY 69 N 1.03 1.00 1.32 0.00 0.00 -1.08 -0.69 103.07 104.66 2c42 h GLY 69 Ca 0.19 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 2c42 h GLY 69 CO 0.00 0.55 -0.22 0.00 0.00 0.00 0.00 176.54 176.87 2c42 h ALA 70 N 1.06 0.87 -0.55 3.60 0.00 -0.78 -1.82 119.26 121.64 2c42 h ALA 70 Ca 0.20 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2c42 h ALA 70 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2c42 h ALA 70 CO -0.01 0.63 0.20 0.28 0.00 0.00 0.00 179.25 180.36 2c42 h VAL 71 N 0.68 1.23 -0.25 0.00 2.07 -0.65 -0.47 116.25 118.86 2c42 h VAL 71 Ca 0.09 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.90 2c42 h VAL 71 Cb 0.74 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2c42 h VAL 71 CO 0.06 0.28 0.11 -0.74 0.02 0.00 0.00 177.57 177.30 2c42 h HIS 72 N 0.75 0.21 -0.73 1.57 6.17 -0.87 -1.43 115.15 120.82 2c42 h HIS 72 Ca 0.18 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.22 2c42 h HIS 72 Cb 0.23 -0.06 -0.03 0.00 2.52 0.00 0.00 27.41 30.07 2c42 h HIS 72 CO 0.01 0.11 0.25 0.78 0.71 0.00 0.00 177.93 179.79 2c42 h GLY 73 N 0.24 1.19 0.98 5.26 0.00 -1.04 0.79 103.07 110.49 2c42 h GLY 73 Ca 0.10 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 2c42 h GLY 73 CO -0.08 0.63 -0.01 0.00 0.00 0.00 0.00 176.54 177.08 2c42 h ALA 74 N 1.20 0.59 -0.50 3.60 0.00 -0.84 -1.73 119.26 121.59 2c42 h ALA 74 Ca 0.24 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2c42 h ALA 74 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2c42 h ALA 74 CO -0.01 0.39 -0.01 -0.07 0.00 0.00 0.00 179.25 179.55 2c42 h LEU 75 N 0.62 0.87 -1.59 0.00 3.38 -1.07 -1.56 115.31 115.96 2c42 h LEU 75 Ca 0.12 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2c42 h LEU 75 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2c42 h LEU 75 CO 0.02 0.97 0.01 0.00 0.09 0.00 0.00 178.44 179.54 2c42 h ALA 76 N 0.93 1.68 -0.45 1.53 0.00 -0.72 -2.02 119.26 120.21 2c42 h ALA 76 Ca 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2c42 h ALA 76 Cb 0.53 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2c42 h ALA 76 CO 0.03 0.25 0.08 0.00 0.00 0.00 0.00 179.25 179.60 2c42 n ALA 77 N -2.50 3.67 -1.04 0.00 0.00 -0.66 -0.75 120.51 119.24 2c42 n ALA 77 Ca -0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 53.44 51.98 2c42 n ALA 77 Cb 0.17 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 2c42 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c42 n GLY 78 N 0.26 0.48 3.54 0.00 0.00 -0.76 -4.75 105.19 103.96 2c42 n GLY 78 Ca 0.23 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 2c42 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 s ALA 79 N -2.04 2.94 0.09 4.61 0.00 -0.62 -4.74 121.76 122.00 2c42 s ALA 79 Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.78 2c42 s ALA 79 Cb 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 23.12 21.73 2c42 s ALA 79 CO 0.00 0.45 1.53 -0.51 0.00 0.00 0.00 175.76 177.23 2c42 s LEU 80 N -0.39 4.36 0.06 0.00 1.43 -1.26 -3.90 118.68 118.98 2c42 s LEU 80 Ca 0.06 2.42 0.04 0.00 -1.03 0.00 0.00 54.13 55.62 2c42 s LEU 80 Cb -0.12 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 2c42 s LEU 80 CO 0.02 -0.79 -0.12 -0.89 0.23 0.00 0.00 176.35 174.80 2c42 s THR 81 N 1.88 0.94 0.18 5.49 2.01 -1.26 -0.84 115.64 124.03 2c42 s THR 81 Ca 0.69 -1.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 2c42 s THR 81 Cb -0.39 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 2c42 s THR 81 CO 0.31 -0.27 0.19 0.28 -0.69 0.00 0.00 174.62 174.44 2c42 s THR 82 N -1.30 0.04 0.20 -0.82 -1.32 -0.74 -2.81 115.64 108.89 2c42 s THR 82 Ca -0.04 -1.77 -0.17 0.00 -1.21 0.00 0.00 61.69 58.50 2c42 s THR 82 Cb -0.10 -2.21 0.03 0.00 -1.51 0.00 0.00 72.50 68.71 2c42 s THR 82 CO 0.02 -0.18 0.52 0.28 -2.21 0.00 0.00 174.62 173.04 2c42 s THR 83 N -4.07 0.03 -0.06 5.08 -1.32 -1.14 -3.30 115.64 110.85 2c42 s THR 83 Ca 0.28 -0.83 0.02 0.00 -1.21 0.00 0.00 61.69 59.96 2c42 s THR 83 Cb 0.05 -1.62 0.01 0.00 -1.51 0.00 0.00 72.50 69.43 2c42 s THR 83 CO 0.06 -0.12 -0.11 -0.36 -2.21 0.00 0.00 174.62 171.88 2c42 s PHE 84 N -3.88 1.36 0.02 9.09 0.40 -1.26 -1.39 117.98 122.31 2c42 s PHE 84 Ca 0.10 -0.47 -0.01 0.00 -0.60 0.00 0.00 56.93 55.95 2c42 s PHE 84 Cb -0.01 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.53 2c42 s PHE 84 CO -0.02 -0.24 0.05 -2.37 0.70 0.00 0.00 175.22 173.34 2c42 n THR 85 N 3.75 0.00 -3.60 0.64 5.66 -0.84 -4.61 114.28 115.28 2c42 n THR 85 Ca -0.23 -0.06 0.01 0.00 -3.05 0.00 0.00 64.05 60.72 2c42 n THR 85 Cb 0.52 0.06 -0.01 0.00 -1.55 0.00 0.00 70.33 69.35 2c42 n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2c42 s ALA 86 N -1.07 -2.27 0.00 1.79 0.00 -1.26 -2.06 121.76 116.88 2c42 s ALA 86 Ca 0.01 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.05 2c42 s ALA 86 Cb -0.00 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2c42 s ALA 86 CO 0.01 -0.91 0.00 0.45 0.00 0.00 0.00 175.76 175.31 2c42 n SER 87 N -0.36 0.00 -0.27 0.00 2.88 -1.26 -0.54 113.62 114.08 2c42 n SER 87 Ca -0.05 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.70 2c42 n SER 87 Cb 0.61 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.61 2c42 n SER 87 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2c42 h GLN 88 N 0.00 0.35 -0.22 -1.46 1.08 -1.89 -0.61 115.11 112.36 2c42 h GLN 88 Ca 0.00 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2c42 h GLN 88 Cb 0.00 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2c42 h GLN 88 CO 0.00 0.23 -0.01 0.78 -0.95 0.00 0.00 178.83 178.88 2c42 h GLY 89 N 0.36 0.43 1.23 3.46 0.00 -1.24 -2.75 103.07 104.56 2c42 h GLY 89 Ca 0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2c42 h GLY 89 CO -0.19 0.29 0.44 -2.00 0.00 0.00 0.00 176.54 175.08 2c42 h LEU 90 N 0.15 0.90 -0.96 3.11 5.85 -0.35 -1.86 115.31 122.16 2c42 h LEU 90 Ca 0.06 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2c42 h LEU 90 Cb 0.42 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 2c42 h LEU 90 CO 0.01 0.69 0.63 -0.07 -0.34 0.00 0.00 178.44 179.37 2c42 h LEU 91 N 1.03 1.05 -0.82 2.25 3.38 -1.18 -0.66 115.31 120.36 2c42 h LEU 91 Ca 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2c42 h LEU 91 Cb -0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2c42 h LEU 91 CO -0.05 0.72 0.00 -0.07 0.09 0.00 0.00 178.44 179.13 2c42 h LEU 92 N 1.22 0.00 -0.05 1.67 3.38 -1.05 -2.64 115.31 117.84 2c42 h LEU 92 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2c42 h LEU 92 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2c42 h LEU 92 CO -0.12 0.00 -0.54 0.23 0.09 0.00 0.00 178.44 178.10 2c42 n MET 93 N -2.37 0.08 -0.17 1.13 2.81 -0.27 -4.08 117.12 114.25 2c42 n MET 93 Ca 0.02 -0.05 -0.02 0.00 -1.81 0.00 0.00 57.70 55.84 2c42 n MET 93 Cb 0.24 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.33 2c42 n MET 93 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2c42 h ILE 94 N 0.12 0.72 -0.40 2.02 2.04 -1.24 -0.89 117.51 119.88 2c42 h ILE 94 Ca 0.00 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.82 2c42 h ILE 94 Cb 0.50 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 2c42 h ILE 94 CO 0.00 0.05 0.15 -0.65 0.00 0.00 0.00 178.15 177.70 2c42 h PRO 95 N 0.27 0.31 0.00 2.37 0.11 -1.81 -1.41 132.00 131.84 2c42 h PRO 95 Ca 0.26 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.30 2c42 h PRO 95 Cb 0.35 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2c42 h PRO 95 CO -0.33 0.20 -0.24 -0.91 -0.21 0.00 0.00 178.00 176.51 2c42 h ASN 96 N 0.32 0.00 -0.77 -2.05 2.35 -1.78 -2.92 115.58 110.73 2c42 h ASN 96 Ca 0.18 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2c42 h ASN 96 Cb 0.16 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 2c42 h ASN 96 CO -0.18 0.24 0.41 0.24 -1.65 0.00 0.00 177.43 176.49 2c42 h MET 97 N 0.00 1.09 -0.55 0.81 2.86 -0.04 0.23 114.93 119.33 2c42 h MET 97 Ca -0.00 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 2c42 h MET 97 Cb 0.65 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2c42 h MET 97 CO 0.03 0.81 0.13 1.88 1.06 0.00 0.00 176.91 180.82 2c42 h TYR 98 N 1.09 0.88 -0.27 -0.22 -1.99 -1.30 -2.01 116.97 113.14 2c42 h TYR 98 Ca 0.27 -0.08 -0.15 0.00 2.00 0.00 0.00 58.73 60.77 2c42 h TYR 98 Cb 0.05 -0.26 -0.00 0.00 2.00 0.00 0.00 36.73 38.52 2c42 h TYR 98 CO 0.01 0.74 -0.42 0.87 -0.00 0.00 0.00 178.16 179.36 2c42 h LYS 99 N 0.82 0.77 -0.60 4.88 1.79 -1.26 0.17 116.57 123.13 2c42 h LYS 99 Ca 0.18 -0.46 -0.10 0.00 -2.18 0.00 0.00 60.65 58.10 2c42 h LYS 99 Cb 0.31 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2c42 h LYS 99 CO -0.00 1.08 0.00 0.82 -1.08 0.00 0.00 179.45 180.28 2c42 h ILE 100 N 0.51 1.27 0.09 1.86 2.04 -0.42 -1.36 117.51 121.50 2c42 h ILE 100 Ca 0.03 -1.15 -0.29 0.00 1.00 0.00 0.00 64.86 64.45 2c42 h ILE 100 Cb 1.01 0.81 0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2c42 h ILE 100 CO 0.10 0.42 -1.19 0.77 0.00 0.00 0.00 178.15 178.24 2c42 h SER 101 N 0.96 0.83 -0.13 1.72 4.64 -1.40 -2.14 113.55 118.03 2c42 h SER 101 Ca 0.17 -0.75 0.04 0.00 -0.47 0.00 0.00 61.79 60.78 2c42 h SER 101 Cb 0.55 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2c42 h SER 101 CO 0.03 1.56 0.09 1.23 -0.87 0.00 0.00 176.83 178.87 2c42 h GLY 102 N 0.47 0.00 -2.93 -0.77 0.00 -0.54 -0.24 103.07 99.06 2c42 h GLY 102 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2c42 h GLY 102 CO 0.23 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.95 2c42 n GLU 103 N -4.49 3.31 -3.83 4.80 1.02 -0.52 -4.98 120.64 115.94 2c42 n GLU 103 Ca 0.00 -2.78 -0.36 0.00 -0.02 0.00 0.00 57.16 54.00 2c42 n GLU 103 Cb 0.21 -1.76 0.03 0.00 -0.02 0.00 0.00 31.44 29.90 2c42 n GLU 103 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2c42 n LEU 104 N 1.36 -1.84 -4.63 -4.62 4.77 -0.10 -4.97 117.00 106.96 2c42 n LEU 104 Ca 0.25 -1.10 -0.35 0.00 -0.03 0.00 0.00 56.01 54.79 2c42 n LEU 104 Cb 0.78 -2.04 -0.10 0.00 -2.33 0.00 0.00 43.42 39.72 2c42 n LEU 104 CO 0.21 0.55 -0.31 -0.76 -1.33 0.00 0.00 177.39 175.75 2c42 s LEU 105 N -6.66 3.52 0.00 2.23 1.43 -0.82 -4.72 118.68 113.67 2c42 s LEU 105 Ca 0.43 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2c42 s LEU 105 Cb -0.19 -1.82 -0.15 0.00 0.03 0.00 0.00 46.19 44.06 2c42 s LEU 105 CO 0.91 0.31 2.47 -0.81 0.23 0.00 0.00 176.35 179.45 2c42 n PRO 106 N 2.60 1.28 -2.21 1.29 -0.04 -1.26 -2.74 135.00 133.91 2c42 n PRO 106 Ca -0.18 -0.56 -0.32 0.00 -0.04 0.00 0.00 63.50 62.40 2c42 n PRO 106 Cb 0.53 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 2c42 n PRO 106 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2c42 s GLY 107 N 2.22 1.93 -0.07 0.55 0.00 -1.26 -4.65 107.32 106.04 2c42 s GLY 107 Ca 0.38 0.09 -0.01 0.00 0.00 0.00 0.00 44.72 45.18 2c42 s GLY 107 CO 0.00 0.37 0.00 0.14 0.00 0.00 0.00 173.10 173.61 2c42 s VAL 108 N -2.81 0.38 -0.16 1.40 1.01 -1.12 -0.92 120.40 118.17 2c42 s VAL 108 Ca 0.58 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 2c42 s VAL 108 Cb -0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 2c42 s VAL 108 CO 0.39 0.26 0.08 -0.36 0.00 0.00 0.00 175.10 175.47 2c42 s PHE 109 N 1.96 3.33 -0.28 5.22 2.99 0.45 -2.89 117.98 128.76 2c42 s PHE 109 Ca 0.05 0.21 -0.06 0.00 0.00 0.00 0.00 56.93 57.13 2c42 s PHE 109 Cb -0.12 -2.03 0.00 0.00 0.00 0.00 0.00 43.02 40.87 2c42 s PHE 109 CO -0.05 0.32 0.06 -1.01 -0.00 0.00 0.00 175.22 174.53 2c42 s HIS 110 N -0.03 3.11 -0.12 0.36 3.76 -0.49 -0.32 115.29 121.56 2c42 s HIS 110 Ca 0.07 -0.94 0.02 0.00 -0.15 0.00 0.00 55.06 54.07 2c42 s HIS 110 Cb -0.12 -2.22 -0.00 0.00 1.11 0.00 0.00 32.58 31.34 2c42 s HIS 110 CO 0.01 -0.55 -0.20 0.08 -0.85 0.00 0.00 174.74 173.23 2c42 s VAL 111 N 1.50 2.42 -0.63 -0.90 1.01 0.68 -1.98 120.40 122.50 2c42 s VAL 111 Ca 0.03 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 2c42 s VAL 111 Cb -0.17 -1.97 0.10 0.00 0.00 0.00 0.00 36.38 34.35 2c42 s VAL 111 CO 0.02 0.54 0.77 0.42 0.00 0.00 0.00 175.10 176.85 2c42 s THR 112 N 0.43 4.75 -0.23 3.92 -4.23 -0.88 -1.69 115.64 117.71 2c42 s THR 112 Ca -0.14 -0.96 -0.36 0.00 -1.18 0.00 0.00 61.69 59.05 2c42 s THR 112 Cb -0.17 -4.54 -0.13 0.00 1.34 0.00 0.00 72.50 69.00 2c42 s THR 112 CO 0.06 -1.20 1.94 0.00 -0.54 0.00 0.00 174.62 174.88 2c42 n ALA 113 N 6.52 0.64 -2.77 3.99 0.00 0.06 -4.49 120.51 124.45 2c42 n ALA 113 Ca -0.06 0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.41 2c42 n ALA 113 Cb 0.43 -2.44 -0.12 0.00 0.00 0.00 0.00 19.45 17.32 2c42 n ALA 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2c42 s ARG 114 N 4.64 0.68 0.57 0.00 3.52 -1.13 -0.73 118.95 126.50 2c42 s ARG 114 Ca 1.00 -0.76 -0.19 0.00 -0.13 0.00 0.00 55.73 55.65 2c42 s ARG 114 Cb -0.85 -0.58 -0.06 0.00 -1.56 0.00 0.00 34.95 31.90 2c42 s ARG 114 CO 0.55 0.13 0.92 0.00 -0.81 0.00 0.00 175.30 176.09 2c42 n ALA 115 N 1.65 0.05 -2.63 6.12 0.00 0.31 -3.68 120.51 122.32 2c42 n ALA 115 Ca -0.20 0.04 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 2c42 n ALA 115 Cb 0.55 -2.08 -0.05 0.00 0.00 0.00 0.00 19.45 17.87 2c42 n ALA 115 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2c42 s ILE 116 N -1.50 5.16 -0.32 0.00 -1.09 -1.26 -4.67 121.20 117.52 2c42 s ILE 116 Ca 0.73 0.41 -0.29 0.00 -2.23 0.00 0.00 60.65 59.27 2c42 s ILE 116 Cb -0.44 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 2c42 s ILE 116 CO 0.50 0.36 1.18 0.00 -1.23 0.00 0.00 174.94 175.75 2c42 s ALA 117 N -1.31 3.41 0.00 9.38 0.00 -1.26 -4.74 121.76 127.24 2c42 s ALA 117 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2c42 s ALA 117 Cb -0.14 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2c42 s ALA 117 CO 0.16 -1.67 0.00 0.00 0.00 0.00 0.00 175.76 174.25 2c42 n ALA 118 N 7.28 0.47 0.29 0.00 0.00 -1.26 -4.84 120.51 122.45 2c42 n ALA 118 Ca 0.13 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.74 2c42 n ALA 118 Cb 0.47 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.61 2c42 n ALA 118 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2c42 h HIS 119 N 0.00 0.00 -2.66 0.00 2.07 -1.89 -3.45 115.15 109.22 2c42 h HIS 119 Ca 0.00 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.60 2c42 h HIS 119 Cb 0.00 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 29.87 2c42 h HIS 119 CO 0.00 0.00 0.35 0.00 -3.07 0.00 0.00 177.93 175.21 2c42 s ALA 120 N -3.65 -1.60 0.23 6.11 0.00 -1.26 -4.40 121.76 117.19 2c42 s ALA 120 Ca 0.01 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.30 2c42 s ALA 120 Cb 0.09 0.70 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 2c42 s ALA 120 CO 0.53 -0.86 0.49 -1.17 0.00 0.00 0.00 175.76 174.75 2c42 s LEU 121 N -2.75 4.16 -0.14 0.00 0.20 -1.26 -4.29 118.68 114.59 2c42 s LEU 121 Ca 0.07 0.72 -0.09 0.00 0.69 0.00 0.00 54.13 55.51 2c42 s LEU 121 Cb -0.02 -3.49 0.05 0.00 -0.43 0.00 0.00 46.19 42.29 2c42 s LEU 121 CO -0.04 -0.08 0.36 -0.55 -0.29 0.00 0.00 176.35 175.74 2c42 s SER 122 N -2.73 -0.41 0.00 3.68 0.15 -1.26 -5.01 113.70 108.11 2c42 s SER 122 Ca 0.44 0.75 0.26 0.00 0.70 0.00 0.00 55.95 58.10 2c42 s SER 122 Cb -0.11 0.68 0.76 0.00 -1.71 0.00 0.00 66.02 65.64 2c42 s SER 122 CO 0.26 -0.16 1.58 2.30 1.20 0.00 0.00 173.24 178.42 2c42 n ILE 123 N 3.80 0.04 -2.25 6.45 -5.35 -1.26 -4.30 119.36 116.48 2c42 n ILE 123 Ca -0.20 -0.35 -0.26 0.00 -0.27 0.00 0.00 62.75 61.67 2c42 n ILE 123 Cb 0.55 0.78 0.09 0.00 -1.74 0.00 0.00 39.64 39.33 2c42 n ILE 123 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2c42 s PHE 124 N -1.96 2.43 0.01 4.28 0.08 -1.26 -4.39 117.98 117.17 2c42 s PHE 124 Ca 0.35 0.26 -0.22 0.00 0.12 0.00 0.00 56.93 57.44 2c42 s PHE 124 Cb 0.20 -3.30 -0.05 0.00 -0.57 0.00 0.00 43.02 39.30 2c42 s PHE 124 CO 0.32 -1.66 0.65 0.20 -0.10 0.00 0.00 175.22 174.63 2c42 s GLY 125 N -4.62 2.67 0.10 4.36 0.00 -1.17 -0.53 107.32 108.12 2c42 s GLY 125 Ca 0.64 0.11 -0.25 0.00 0.00 0.00 0.00 44.72 45.21 2c42 s GLY 125 CO 0.46 0.85 1.13 0.51 0.00 0.00 0.00 173.10 176.06 2c42 s ASP 126 N -0.17 -0.03 -0.16 1.64 3.84 -1.10 -0.70 116.67 120.00 2c42 s ASP 126 Ca 0.33 -0.43 0.15 0.00 -0.00 0.00 0.00 52.55 52.60 2c42 s ASP 126 Cb -0.19 0.35 0.70 0.00 -1.38 0.00 0.00 42.92 42.41 2c42 s ASP 126 CO 0.19 -0.69 1.59 1.41 -0.00 0.00 0.00 175.17 177.68 2c42 n HIS 127 N -0.70 1.63 -0.05 2.11 8.25 0.16 -2.82 115.22 123.81 2c42 n HIS 127 Ca -0.02 -0.60 0.03 0.00 -0.26 0.00 0.00 57.72 56.86 2c42 n HIS 127 Cb 0.60 -0.35 0.37 0.00 1.12 0.00 0.00 29.99 31.73 2c42 n HIS 127 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2c42 h GLN 128 N 3.70 0.64 0.02 -0.41 4.20 -1.80 -1.95 115.11 119.52 2c42 h GLN 128 Ca 0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2c42 h GLN 128 Cb 1.59 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.23 2c42 h GLN 128 CO 0.33 0.44 -0.01 0.38 -0.67 0.00 0.00 178.83 179.30 2c42 h ASP 129 N 0.65 -0.03 -0.17 1.46 -0.00 -1.78 -3.05 116.42 113.50 2c42 h ASP 129 Ca 0.17 -0.70 -0.03 0.00 -0.00 0.00 0.00 57.03 56.47 2c42 h ASP 129 Cb -0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.28 2c42 h ASP 129 CO -0.03 0.73 0.03 0.16 -0.00 0.00 0.00 179.24 180.13 2c42 h ILE 130 N -0.83 1.15 0.00 4.15 -0.00 -1.86 -1.31 117.51 118.81 2c42 h ILE 130 Ca -0.00 -0.55 -0.06 0.00 -0.00 0.00 0.00 64.86 64.25 2c42 h ILE 130 Cb 0.73 0.91 -0.01 0.00 -0.00 0.00 0.00 36.82 38.45 2c42 h ILE 130 CO 0.01 0.19 -0.31 1.88 -0.00 0.00 0.00 178.15 179.92 2c42 h TYR 131 N 0.38 0.00 0.00 0.16 0.99 -1.45 -2.37 116.97 114.68 2c42 h TYR 131 Ca 0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.82 2c42 h TYR 131 Cb 0.20 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.93 2c42 h TYR 131 CO 0.01 0.31 0.00 0.00 -0.00 0.00 0.00 178.16 178.47 2c42 n ALA 132 N -2.30 1.61 -0.51 3.88 0.00 -0.50 -2.42 120.51 120.27 2c42 n ALA 132 Ca -0.01 0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.54 2c42 n ALA 132 Cb 0.44 -1.33 0.12 0.00 0.00 0.00 0.00 19.45 18.69 2c42 n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c42 n ALA 133 N -1.68 2.31 0.30 0.00 0.00 -0.90 -4.74 120.51 115.80 2c42 n ALA 133 Ca 0.02 -1.71 0.19 0.00 0.00 0.00 0.00 53.44 51.94 2c42 n ALA 133 Cb 0.19 -0.34 0.94 0.00 0.00 0.00 0.00 19.45 20.24 2c42 n ALA 133 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2c42 h ARG 134 N 0.85 0.00 -0.18 0.00 0.11 -1.42 -2.63 114.38 111.11 2c42 h ARG 134 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2c42 h ARG 134 Cb 0.87 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.95 2c42 h ARG 134 CO 0.05 0.02 0.00 0.00 0.10 0.00 0.00 179.97 180.14 2c42 n GLN 135 N -3.20 2.16 0.00 0.08 0.00 -1.26 -4.36 117.38 110.80 2c42 n GLN 135 Ca -0.02 -1.72 0.10 0.00 0.00 0.00 0.00 57.00 55.36 2c42 n GLN 135 Cb 0.18 -1.47 0.43 0.00 0.00 0.00 0.00 30.24 29.38 2c42 n GLN 135 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2c42 n THR 136 N 1.00 0.62 -0.33 -0.39 -2.24 -0.99 -4.89 114.28 107.06 2c42 n THR 136 Ca 0.17 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 2c42 n THR 136 Cb 0.51 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 2c42 n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c42 n GLY 137 N 0.56 0.75 3.79 3.38 0.00 -1.26 -4.07 105.19 108.34 2c42 n GLY 137 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2c42 n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c42 s PHE 138 N -2.35 3.74 0.54 1.61 0.40 -1.26 -4.70 117.98 115.97 2c42 s PHE 138 Ca 0.00 1.59 -0.18 0.00 -0.60 0.00 0.00 56.93 57.74 2c42 s PHE 138 Cb 0.00 -2.76 -0.06 0.00 0.51 0.00 0.00 43.02 40.71 2c42 s PHE 138 CO 0.00 0.35 1.06 0.00 0.70 0.00 0.00 175.22 177.33 2c42 s ALA 139 N -1.44 2.78 -0.15 5.36 0.00 0.24 -4.80 121.76 123.76 2c42 s ALA 139 Ca 0.43 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 2c42 s ALA 139 Cb -0.19 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2c42 s ALA 139 CO 0.24 -0.61 -0.05 -1.64 0.00 0.00 0.00 175.76 173.69 2c42 s MET 140 N -3.64 1.43 -0.21 0.00 -1.94 0.11 -0.81 119.30 114.24 2c42 s MET 140 Ca 0.66 -0.45 0.02 0.00 -1.71 0.00 0.00 55.69 54.20 2c42 s MET 140 Cb -0.17 -1.91 0.04 0.00 2.01 0.00 0.00 34.83 34.80 2c42 s MET 140 CO 0.29 -0.40 -0.15 -1.17 -0.01 0.00 0.00 175.02 173.58 2c42 s LEU 141 N 1.66 2.57 0.09 -0.03 2.96 -0.70 -0.73 118.68 124.49 2c42 s LEU 141 Ca 0.02 -0.93 -0.11 0.00 -0.22 0.00 0.00 54.13 52.88 2c42 s LEU 141 Cb -0.15 -1.45 -0.06 0.00 0.50 0.00 0.00 46.19 45.04 2c42 s LEU 141 CO -0.08 -0.09 0.44 0.00 -1.32 0.00 0.00 176.35 175.30 2c42 s ALA 142 N 1.26 3.69 -0.07 5.97 0.00 -0.06 -1.88 121.76 130.66 2c42 s ALA 142 Ca -0.01 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.67 2c42 s ALA 142 Cb -0.16 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 2c42 s ALA 142 CO -0.09 0.53 -0.14 -1.12 0.00 0.00 0.00 175.76 174.93 2c42 s SER 143 N -1.72 3.98 0.00 0.00 0.01 -0.41 -4.75 113.70 110.82 2c42 s SER 143 Ca 0.34 -0.25 0.12 0.00 1.31 0.00 0.00 55.95 57.47 2c42 s SER 143 Cb -0.14 -1.09 0.14 0.00 0.21 0.00 0.00 66.02 65.14 2c42 s SER 143 CO 0.18 0.28 0.96 -1.54 0.41 0.00 0.00 173.24 173.54 2c42 n SER 144 N 2.72 2.21 -3.77 2.44 3.41 -1.26 -4.30 113.62 115.06 2c42 n SER 144 Ca -0.17 -1.60 -0.09 0.00 -0.26 0.00 0.00 58.87 56.74 2c42 n SER 144 Cb 0.52 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 2c42 n SER 144 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2c42 s SER 145 N -1.01 -0.05 0.17 4.04 1.04 -1.26 -3.75 113.70 112.88 2c42 s SER 145 Ca 0.16 -0.90 -0.12 0.00 0.48 0.00 0.00 55.95 55.58 2c42 s SER 145 Cb 0.11 0.67 0.07 0.00 0.10 0.00 0.00 66.02 66.97 2c42 s SER 145 CO 0.16 -1.28 1.72 0.58 0.98 0.00 0.00 173.24 175.40 2c42 h VAL 146 N 2.13 1.23 -0.63 5.02 2.07 -1.92 0.15 116.25 124.31 2c42 h VAL 146 Ca -0.25 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 2c42 h VAL 146 Cb 1.25 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 2c42 h VAL 146 CO 0.32 0.28 0.36 -0.61 0.02 0.00 0.00 177.57 177.95 2c42 h GLN 147 N 0.83 0.87 0.00 1.57 5.75 -1.95 -1.76 115.11 120.41 2c42 h GLN 147 Ca 0.20 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 2c42 h GLN 147 Cb 0.22 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 2c42 h GLN 147 CO -0.01 0.64 -0.22 0.93 -2.65 0.00 0.00 178.83 177.52 2c42 h GLU 148 N 0.86 0.00 -0.51 1.69 5.08 -1.86 -2.39 114.58 117.45 2c42 h GLU 148 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2c42 h GLU 148 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2c42 h GLU 148 CO -0.04 0.22 0.31 0.00 -1.00 0.00 0.00 179.01 178.50 2c42 h ALA 149 N 1.78 0.66 0.31 3.43 0.00 -0.05 0.71 119.26 126.09 2c42 h ALA 149 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2c42 h ALA 149 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2c42 h ALA 149 CO 0.03 0.15 -0.15 1.25 0.00 0.00 0.00 179.25 180.53 2c42 h HIS 150 N 0.69 -0.38 -0.40 0.00 -0.00 -1.35 -2.26 115.15 111.45 2c42 h HIS 150 Ca 0.18 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.58 2c42 h HIS 150 Cb -0.00 0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 2c42 h HIS 150 CO -0.03 -0.07 0.20 -0.44 -0.00 0.00 0.00 177.93 177.59 2c42 h ASP 151 N -0.71 0.29 0.52 3.26 3.32 -1.32 -2.38 116.42 119.39 2c42 h ASP 151 Ca -0.04 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 2c42 h ASP 151 Cb 0.49 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2c42 h ASP 151 CO 0.07 0.21 -0.59 0.24 -1.72 0.00 0.00 179.24 177.45 2c42 h MET 152 N 0.41 0.08 -0.71 3.56 2.86 -0.95 -1.89 114.93 118.28 2c42 h MET 152 Ca 0.17 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2c42 h MET 152 Cb 0.08 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 2c42 h MET 152 CO -0.12 0.65 0.45 0.00 1.06 0.00 0.00 176.91 178.95 2c42 h ALA 153 N 1.34 0.91 -0.25 6.32 0.00 -1.09 0.84 119.26 127.33 2c42 h ALA 153 Ca -0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2c42 h ALA 153 Cb 1.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2c42 h ALA 153 CO 0.08 0.35 -0.09 1.25 0.00 0.00 0.00 179.25 180.85 2c42 h LEU 154 N 0.97 0.50 -0.68 0.00 5.85 -1.18 -2.60 115.31 118.18 2c42 h LEU 154 Ca 0.26 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2c42 h LEU 154 Cb -0.07 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 2c42 h LEU 154 CO -0.05 0.77 0.44 0.58 -0.34 0.00 0.00 178.44 179.85 2c42 h VAL 155 N 0.22 1.16 -0.41 1.05 2.07 -1.13 -1.77 116.25 117.43 2c42 h VAL 155 Ca 0.06 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.31 2c42 h VAL 155 Cb 0.57 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2c42 h VAL 155 CO 0.03 0.16 0.16 0.00 0.02 0.00 0.00 177.57 177.95 2c42 h ALA 156 N 1.26 0.50 -0.20 1.67 0.00 -0.71 0.83 119.26 122.60 2c42 h ALA 156 Ca 0.25 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2c42 h ALA 156 Cb -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2c42 h ALA 156 CO -0.06 -0.22 0.01 0.45 0.00 0.00 0.00 179.25 179.43 2c42 h HIS 157 N 0.34 0.37 -0.61 0.00 -0.00 -1.20 -0.48 115.15 113.56 2c42 h HIS 157 Ca 0.19 -0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 60.47 2c42 h HIS 157 Cb 0.15 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 2c42 h HIS 157 CO -0.13 0.53 0.29 -0.07 -0.00 0.00 0.00 177.93 178.55 2c42 h LEU 158 N 0.10 0.81 -0.64 2.43 3.38 -1.12 -2.17 115.31 118.11 2c42 h LEU 158 Ca 0.06 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 2c42 h LEU 158 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2c42 h LEU 158 CO 0.01 0.71 -0.41 0.00 0.09 0.00 0.00 178.44 178.85 2c42 h ALA 159 N 1.13 0.81 -0.43 1.53 0.00 -0.81 -2.54 119.26 118.95 2c42 h ALA 159 Ca 0.21 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2c42 h ALA 159 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2c42 h ALA 159 CO -0.03 0.65 0.19 0.00 0.00 0.00 0.00 179.25 180.06 2c42 h ALA 160 N 1.06 0.56 -0.21 0.00 0.00 -0.86 0.76 119.26 120.57 2c42 h ALA 160 Ca 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2c42 h ALA 160 Cb 0.92 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2c42 h ALA 160 CO 0.08 0.15 0.12 0.82 0.00 0.00 0.00 179.25 180.42 2c42 h ILE 161 N 0.56 1.03 0.01 0.00 2.04 -1.31 0.07 117.51 119.90 2c42 h ILE 161 Ca 0.15 -0.09 -0.21 0.00 1.00 0.00 0.00 64.86 65.71 2c42 h ILE 161 Cb 0.16 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2c42 h ILE 161 CO -0.01 0.05 -0.92 -0.08 0.00 0.00 0.00 178.15 177.18 2c42 h GLU 162 N 0.25 0.30 0.00 2.37 4.81 -1.35 -3.34 114.58 117.61 2c42 h GLU 162 Ca 0.08 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2c42 h GLU 162 Cb -0.01 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 2c42 h GLU 162 CO -0.04 1.03 -0.87 0.66 -0.73 0.00 0.00 179.01 179.06 2c42 h SER 163 N 0.16 0.00 -0.61 1.04 4.64 -0.80 -3.48 113.55 114.50 2c42 h SER 163 Ca -0.06 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.99 2c42 h SER 163 Cb 1.56 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.55 2c42 h SER 163 CO 0.15 0.08 -0.24 0.59 -0.87 0.00 0.00 176.83 176.54 2c42 n ASN 164 N -2.78 -4.75 -4.35 4.97 4.13 0.01 -4.93 115.26 107.55 2c42 n ASN 164 Ca -0.00 0.32 -0.34 0.00 1.68 0.00 0.00 54.58 56.24 2c42 n ASN 164 Cb 0.58 -3.38 -0.14 0.00 -1.54 0.00 0.00 39.78 35.30 2c42 n ASN 164 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2c42 s VAL 165 N -2.41 3.23 0.63 2.41 1.01 -1.25 -3.16 120.40 120.87 2c42 s VAL 165 Ca 0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2c42 s VAL 165 Cb 0.00 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2c42 s VAL 165 CO 0.00 0.48 1.23 -2.16 0.00 0.00 0.00 175.10 174.66 2c42 s PRO 166 N 0.81 2.71 -0.00 2.72 0.04 -1.11 -4.47 135.00 135.71 2c42 s PRO 166 Ca -0.03 1.88 0.08 0.00 0.04 0.00 0.00 61.00 62.97 2c42 s PRO 166 Cb -0.15 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 2c42 s PRO 166 CO 0.01 -1.42 -0.25 -0.06 0.04 0.00 0.00 177.00 175.32 2c42 s PHE 167 N -1.61 2.19 -0.33 0.56 0.40 -0.09 -0.59 117.98 118.51 2c42 s PHE 167 Ca 0.78 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 56.68 2c42 s PHE 167 Cb -0.32 -1.38 0.06 0.00 0.51 0.00 0.00 43.02 41.89 2c42 s PHE 167 CO 0.37 0.00 0.06 1.41 0.70 0.00 0.00 175.22 177.77 2c42 s MET 168 N -0.74 2.34 -0.22 0.44 -2.45 0.01 -0.41 119.30 118.27 2c42 s MET 168 Ca 0.10 -1.39 -0.16 0.00 -1.25 0.00 0.00 55.69 52.99 2c42 s MET 168 Cb -0.09 -3.32 -0.04 0.00 1.25 0.00 0.00 34.83 32.63 2c42 s MET 168 CO -0.00 -0.74 0.41 -1.58 1.05 0.00 0.00 175.02 174.16 2c42 s HIS 169 N 1.24 3.35 0.09 4.11 2.46 0.56 -1.72 115.29 125.37 2c42 s HIS 169 Ca -0.01 0.59 0.03 0.00 0.47 0.00 0.00 55.06 56.14 2c42 s HIS 169 Cb -0.20 -2.55 -0.03 0.00 -0.13 0.00 0.00 32.58 29.66 2c42 s HIS 169 CO -0.01 -0.06 -0.10 -0.59 -2.47 0.00 0.00 174.74 171.51 2c42 s PHE 170 N 1.50 1.01 0.04 3.88 -0.12 -0.78 -0.23 117.98 123.28 2c42 s PHE 170 Ca 0.19 -0.65 -0.12 0.00 -0.05 0.00 0.00 56.93 56.30 2c42 s PHE 170 Cb -0.15 -0.56 0.01 0.00 -0.63 0.00 0.00 43.02 41.69 2c42 s PHE 170 CO 0.08 -0.02 0.26 -0.59 -0.05 0.00 0.00 175.22 174.91 2c42 s PHE 171 N -2.36 -0.05 0.14 3.49 -0.12 -0.68 -1.28 117.98 117.12 2c42 s PHE 171 Ca 0.04 -0.12 -0.32 0.00 -0.05 0.00 0.00 56.93 56.48 2c42 s PHE 171 Cb -0.03 0.05 -0.11 0.00 -0.63 0.00 0.00 43.02 42.29 2c42 s PHE 171 CO -0.00 -0.48 1.79 -0.25 -0.05 0.00 0.00 175.22 176.23 2c42 n ASP 172 N 0.63 3.92 -4.70 1.98 10.43 -1.26 -0.76 116.55 126.78 2c42 n ASP 172 Ca -0.19 1.01 -0.43 0.00 2.57 0.00 0.00 54.79 57.76 2c42 n ASP 172 Cb 0.59 -1.53 -0.03 0.00 1.84 0.00 0.00 41.12 41.98 2c42 n ASP 172 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2c42 n GLY 173 N 4.09 1.45 5.00 0.44 0.00 0.09 -1.56 105.19 114.70 2c42 n GLY 173 Ca 0.18 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.84 2c42 n GLY 173 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c42 n PHE 174 N 4.09 0.00 -0.18 1.61 3.72 -1.26 -3.07 117.46 122.37 2c42 n PHE 174 Ca 0.17 0.00 0.29 0.00 -0.05 0.00 0.00 57.45 57.86 2c42 n PHE 174 Cb 0.33 0.00 0.73 0.00 -0.94 0.00 0.00 39.48 39.60 2c42 n PHE 174 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2c42 h ARG 175 N 0.00 0.00 0.00 -1.08 9.65 -1.95 -1.11 114.38 119.89 2c42 h ARG 175 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2c42 h ARG 175 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2c42 h ARG 175 CO 0.00 0.00 -0.93 2.41 2.80 0.00 0.00 179.97 184.25 2c42 n THR 176 N -4.24 0.00 -0.09 0.20 -1.04 -0.60 -4.33 114.28 104.17 2c42 n THR 176 Ca 0.19 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.28 2c42 n THR 176 Cb 0.98 -0.85 0.43 0.00 -1.82 0.00 0.00 70.33 69.08 2c42 n THR 176 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2c42 h SER 177 N 0.00 0.49 -0.19 8.00 4.64 -1.34 -2.60 113.55 122.55 2c42 h SER 177 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c42 h SER 177 Cb 0.93 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2c42 h SER 177 CO 0.00 0.32 0.00 1.41 -0.87 0.00 0.00 176.83 177.69 2c42 n HIS 178 N -4.47 0.24 -2.87 4.77 8.25 -0.43 -1.84 115.22 118.87 2c42 n HIS 178 Ca 0.08 -0.25 -0.40 0.00 -0.26 0.00 0.00 57.72 56.89 2c42 n HIS 178 Cb 0.23 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 2c42 n HIS 178 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2c42 s GLU 179 N -0.99 4.70 -0.15 -0.41 2.12 -1.06 -4.73 118.70 118.18 2c42 s GLU 179 Ca 0.19 1.31 -0.07 0.00 0.36 0.00 0.00 54.97 56.76 2c42 s GLU 179 Cb 0.11 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 2c42 s GLU 179 CO 0.16 0.52 0.08 0.42 -0.54 0.00 0.00 175.26 175.90 2c42 s ILE 180 N -1.07 4.98 0.04 -3.70 1.01 0.21 -2.90 121.20 119.77 2c42 s ILE 180 Ca 0.39 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.98 2c42 s ILE 180 Cb -0.24 -3.21 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 2c42 s ILE 180 CO 0.29 0.52 0.15 -1.10 0.00 0.00 0.00 174.94 174.80 2c42 s GLN 181 N -0.18 0.63 -0.34 2.79 -1.52 -0.18 -1.47 119.66 119.39 2c42 s GLN 181 Ca 0.08 -0.66 -0.23 0.00 -1.95 0.00 0.00 55.36 52.60 2c42 s GLN 181 Cb -0.12 0.26 0.00 0.00 -0.22 0.00 0.00 33.01 32.93 2c42 s GLN 181 CO 0.01 -0.17 0.77 0.21 -0.25 0.00 0.00 175.29 175.86 2c42 s LYS 182 N -2.49 3.83 0.22 2.91 2.20 -1.15 -1.07 119.74 124.20 2c42 s LYS 182 Ca -0.06 0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.98 2c42 s LYS 182 Cb -0.02 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 2c42 s LYS 182 CO -0.04 -0.77 0.14 0.44 -0.36 0.00 0.00 175.35 174.76 2c42 n ILE 183 N 5.67 0.00 -5.09 5.43 -5.35 -0.40 -4.88 119.36 114.74 2c42 n ILE 183 Ca 0.03 -1.47 -0.32 0.00 -0.27 0.00 0.00 62.75 60.71 2c42 n ILE 183 Cb 0.48 0.66 -0.16 0.00 -1.74 0.00 0.00 39.64 38.89 2c42 n ILE 183 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2c42 s GLU 184 N -2.87 2.86 0.13 6.28 2.12 -1.26 -1.05 118.70 124.92 2c42 s GLU 184 Ca 0.20 -0.82 0.10 0.00 0.36 0.00 0.00 54.97 54.81 2c42 s GLU 184 Cb 0.01 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 2c42 s GLU 184 CO 0.14 0.33 -0.25 0.14 -0.54 0.00 0.00 175.26 175.08 2c42 s VAL 185 N 0.00 2.11 0.17 3.70 -7.23 -1.26 -4.94 120.40 112.95 2c42 s VAL 185 Ca -0.07 -1.76 -0.10 0.00 -1.81 0.00 0.00 61.98 58.24 2c42 s VAL 185 Cb -0.15 -1.90 -0.07 0.00 0.56 0.00 0.00 36.38 34.83 2c42 s VAL 185 CO 0.05 -0.00 0.51 -0.76 -0.31 0.00 0.00 175.10 174.58 2c42 s LEU 186 N -2.15 4.26 0.80 1.32 1.43 -1.26 -4.58 118.68 118.49 2c42 s LEU 186 Ca 0.13 0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 2c42 s LEU 186 Cb -0.09 -3.41 0.07 0.00 0.03 0.00 0.00 46.19 42.79 2c42 s LEU 186 CO 0.06 0.03 1.10 1.51 0.23 0.00 0.00 176.35 179.28 2c42 s ASP 187 N -2.08 4.47 0.40 2.29 1.47 -1.26 -4.90 116.67 117.05 2c42 s ASP 187 Ca 0.42 1.26 0.10 0.00 1.18 0.00 0.00 52.55 55.50 2c42 s ASP 187 Cb -0.13 -1.99 0.81 0.00 -0.34 0.00 0.00 42.92 41.28 2c42 s ASP 187 CO 0.20 -1.98 1.94 1.88 0.68 0.00 0.00 175.17 177.90 2c42 h TYR 188 N -1.09 0.26 -0.55 2.11 -1.99 -1.97 -2.79 116.97 110.93 2c42 h TYR 188 Ca -0.47 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.22 2c42 h TYR 188 Cb 1.27 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.90 2c42 h TYR 188 CO 0.45 0.35 0.29 0.00 -0.00 0.00 0.00 178.16 179.25 2c42 h ALA 189 N 1.67 0.71 -0.71 3.88 0.00 -1.98 -0.71 119.26 122.12 2c42 h ALA 189 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2c42 h ALA 189 Cb 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2c42 h ALA 189 CO 0.02 0.24 0.34 -0.44 0.00 0.00 0.00 179.25 179.41 2c42 h ASP 190 N 0.74 0.93 -0.53 0.00 3.45 -1.88 -1.75 116.42 117.39 2c42 h ASP 190 Ca 0.19 -0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.48 2c42 h ASP 190 Cb 0.07 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.57 2c42 h ASP 190 CO -0.03 0.80 0.19 0.24 -1.57 0.00 0.00 179.24 178.87 2c42 h MET 191 N 0.99 0.80 -0.32 3.56 2.86 -1.27 -2.70 114.93 118.86 2c42 h MET 191 Ca 0.24 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2c42 h MET 191 Cb 0.12 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2c42 h MET 191 CO -0.03 0.72 0.16 0.00 1.06 0.00 0.00 176.91 178.82 2c42 h ALA 192 N 1.04 1.69 0.00 6.32 0.00 -0.77 -2.48 119.26 125.06 2c42 h ALA 192 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2c42 h ALA 192 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2c42 h ALA 192 CO -0.01 0.26 0.00 0.66 0.00 0.00 0.00 179.25 180.16 2c42 h SER 193 N 0.44 0.00 0.59 0.00 4.64 -0.98 -2.81 113.55 115.43 2c42 h SER 193 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2c42 h SER 193 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2c42 h SER 193 CO -0.02 0.00 -0.81 0.18 -0.87 0.00 0.00 176.83 175.31 2c42 n LEU 194 N -3.00 0.63 -4.75 5.97 4.32 -0.94 -4.94 117.00 114.30 2c42 n LEU 194 Ca -0.01 0.06 -0.41 0.00 -0.02 0.00 0.00 56.01 55.63 2c42 n LEU 194 Cb 0.19 -0.15 -0.02 0.00 -1.62 0.00 0.00 43.42 41.82 2c42 n LEU 194 CO 0.23 0.02 1.09 -0.69 -1.22 0.00 0.00 177.39 176.82 2c42 s VAL 195 N -3.15 2.62 -0.77 4.08 1.01 -1.06 -4.93 120.40 118.19 2c42 s VAL 195 Ca 0.06 0.54 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 2c42 s VAL 195 Cb 0.14 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 33.23 2c42 s VAL 195 CO 0.76 0.10 1.22 0.21 0.00 0.00 0.00 175.10 177.38 2c42 s ASN 196 N 0.19 6.24 0.46 3.32 3.84 -1.26 -4.87 114.94 122.85 2c42 s ASN 196 Ca 0.57 -0.82 0.16 0.00 0.21 0.00 0.00 52.86 52.98 2c42 s ASN 196 Cb -0.42 -2.52 1.06 0.00 -0.55 0.00 0.00 41.25 38.83 2c42 s ASN 196 CO 0.46 -1.65 2.01 1.56 -2.79 0.00 0.00 177.10 176.69 2c42 h GLN 197 N 9.82 0.00 -0.25 0.43 4.20 -1.95 -2.02 115.11 125.33 2c42 h GLN 197 Ca -0.19 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.35 2c42 h GLN 197 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 2c42 h GLN 197 CO 1.27 0.16 -0.50 0.87 -0.67 0.00 0.00 178.83 179.96 2c42 h LYS 198 N 0.00 0.79 -0.74 1.46 1.79 -1.99 -1.24 116.57 116.63 2c42 h LYS 198 Ca -0.00 -0.51 -0.02 0.00 -2.18 0.00 0.00 60.65 57.94 2c42 h LYS 198 Cb 0.30 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 2c42 h LYS 198 CO 0.02 1.14 0.40 0.00 -1.08 0.00 0.00 179.45 179.93 2c42 h ALA 199 N 0.65 0.95 -0.45 3.86 0.00 -1.83 -0.23 119.26 122.21 2c42 h ALA 199 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2c42 h ALA 199 Cb 1.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2c42 h ALA 199 CO 0.11 0.47 0.26 1.25 0.00 0.00 0.00 179.25 181.34 2c42 h LEU 200 N 1.03 0.55 -0.93 0.00 5.85 -1.24 -0.37 115.31 120.21 2c42 h LEU 200 Ca 0.26 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2c42 h LEU 200 Cb 0.05 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2c42 h LEU 200 CO -0.04 0.46 0.26 0.00 -0.34 0.00 0.00 178.44 178.78 2c42 h ALA 201 N 1.11 1.14 -0.31 1.25 0.00 -0.76 -2.00 119.26 119.69 2c42 h ALA 201 Ca 0.16 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2c42 h ALA 201 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2c42 h ALA 201 CO -0.03 0.61 -0.18 0.93 0.00 0.00 0.00 179.25 180.58 2c42 h GLU 202 N 1.02 0.56 -0.47 0.00 5.08 -0.57 -1.32 114.58 118.87 2c42 h GLU 202 Ca 0.23 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2c42 h GLU 202 Cb 0.22 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2c42 h GLU 202 CO -0.02 0.72 0.30 0.35 -1.00 0.00 0.00 179.01 179.37 2c42 h PHE 203 N 0.51 0.61 -0.08 4.33 3.57 -0.43 -1.83 116.94 123.62 2c42 h PHE 203 Ca 0.08 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2c42 h PHE 203 Cb 0.60 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2c42 h PHE 203 CO 0.02 0.40 0.04 0.00 -2.23 0.00 0.00 178.31 176.54 2c42 h ARG 204 N 0.64 0.11 -0.41 1.11 2.47 -0.95 -2.86 114.38 114.49 2c42 h ARG 204 Ca 0.17 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.90 2c42 h ARG 204 Cb -0.05 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 2c42 h ARG 204 CO -0.04 0.20 0.27 0.00 0.56 0.00 0.00 179.97 180.96 2c42 h ALA 205 N 0.91 1.82 0.00 0.04 0.00 -1.01 -2.44 119.26 118.58 2c42 h ALA 205 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2c42 h ALA 205 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2c42 h ALA 205 CO -0.00 0.13 -0.41 0.36 0.00 0.00 0.00 179.25 179.33 2c42 n LYS 206 N -4.48 0.09 -1.09 0.00 2.85 -0.71 -4.94 118.16 109.88 2c42 n LYS 206 Ca 0.04 0.04 -0.30 0.00 -1.05 0.00 0.00 58.31 57.04 2c42 n LYS 206 Cb 0.14 -1.57 0.15 0.00 -0.65 0.00 0.00 35.03 33.10 2c42 n LYS 206 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2c42 s SER 207 N -3.42 3.24 0.27 -5.58 0.01 -0.92 -4.95 113.70 102.35 2c42 s SER 207 Ca 0.10 1.58 -0.31 0.00 1.31 0.00 0.00 55.95 58.64 2c42 s SER 207 Cb 0.16 -2.25 -0.12 0.00 0.21 0.00 0.00 66.02 64.03 2c42 s SER 207 CO 0.67 -2.80 1.64 0.23 0.41 0.00 0.00 173.24 173.39 2c42 n MET 208 N -4.00 2.75 -3.57 12.44 2.81 0.07 -4.93 117.12 122.70 2c42 n MET 208 Ca 0.07 0.98 -0.00 0.00 -1.81 0.00 0.00 57.70 56.94 2c42 n MET 208 Cb 0.55 -2.79 -0.06 0.00 -0.71 0.00 0.00 33.22 30.21 2c42 n MET 208 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2c42 s ASN 209 N 0.72 -0.42 0.00 7.83 3.84 -1.26 -4.75 114.94 120.90 2c42 s ASN 209 Ca 0.67 0.64 0.06 0.00 0.21 0.00 0.00 52.86 54.44 2c42 s ASN 209 Cb -0.49 1.27 0.25 0.00 -0.55 0.00 0.00 41.25 41.72 2c42 s ASN 209 CO 0.43 -0.10 1.18 -0.81 -2.79 0.00 0.00 177.10 175.02 2c42 n PRO 210 N 3.92 0.00 0.22 0.43 -0.04 -1.26 -1.39 135.00 136.87 2c42 n PRO 210 Ca -0.16 0.40 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 2c42 n PRO 210 Cb 0.56 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.73 2c42 n PRO 210 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2c42 h GLU 211 N 0.00 0.00 -0.30 0.54 4.39 -1.99 -3.37 114.58 113.85 2c42 h GLU 211 Ca 0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 2c42 h GLU 211 Cb 0.10 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.57 2c42 h GLU 211 CO 0.00 0.07 -0.58 -2.39 -1.16 0.00 0.00 179.01 174.96 2c42 n HIS 212 N -3.12 -2.78 -1.25 4.33 1.44 -0.54 -5.16 115.22 108.14 2c42 n HIS 212 Ca 0.03 -2.12 -0.32 0.00 -2.01 0.00 0.00 57.72 53.31 2c42 n HIS 212 Cb 0.53 1.29 0.10 0.00 0.12 0.00 0.00 29.99 32.04 2c42 n HIS 212 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2c42 s PRO 213 N 0.27 2.05 0.24 -1.40 0.04 -0.49 -4.54 135.00 131.17 2c42 s PRO 213 Ca 0.30 1.39 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 2c42 s PRO 213 Cb 0.24 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.92 2c42 s PRO 213 CO -0.18 -1.83 0.47 -1.01 0.04 0.00 0.00 177.00 174.48 2c42 s HIS 214 N -2.60 0.37 -0.11 0.56 3.76 -1.26 -5.04 115.29 110.96 2c42 s HIS 214 Ca 0.66 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 2c42 s HIS 214 Cb -0.21 0.18 -0.02 0.00 1.11 0.00 0.00 32.58 33.64 2c42 s HIS 214 CO 0.52 -0.98 -0.11 0.08 -0.85 0.00 0.00 174.74 173.40 2c42 s VAL 215 N -4.02 3.27 0.10 -0.90 1.01 -1.26 -5.02 120.40 113.59 2c42 s VAL 215 Ca 0.22 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.66 2c42 s VAL 215 Cb -0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2c42 s VAL 215 CO 0.09 0.54 -0.16 0.00 0.00 0.00 0.00 175.10 175.57 2c42 s ARG 216 N -0.01 0.99 -0.21 2.72 1.70 -1.26 -4.84 118.95 118.03 2c42 s ARG 216 Ca -0.02 -1.13 -0.01 0.00 -0.47 0.00 0.00 55.73 54.10 2c42 s ARG 216 Cb -0.14 -1.01 0.00 0.00 -0.57 0.00 0.00 34.95 33.23 2c42 s ARG 216 CO 0.04 0.21 0.18 0.41 -1.08 0.00 0.00 175.30 175.06 2c42 n GLY 217 N 0.90 0.48 3.83 3.88 0.00 -1.26 -5.05 105.19 107.97 2c42 n GLY 217 Ca -0.18 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 2c42 n GLY 217 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c42 s THR 218 N -3.06 1.96 -0.13 2.61 -4.23 -1.26 -5.06 115.64 106.48 2c42 s THR 218 Ca 0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.54 2c42 s THR 218 Cb -0.02 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 2c42 s THR 218 CO 0.12 0.00 -0.10 0.00 -0.54 0.00 0.00 174.62 174.11 2c42 s ALA 219 N -3.47 2.77 -0.02 3.99 0.00 -1.26 -5.12 121.76 118.65 2c42 s ALA 219 Ca 0.66 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.82 2c42 s ALA 219 Cb -0.11 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 2c42 s ALA 219 CO 0.52 0.27 -0.23 -0.65 0.00 0.00 0.00 175.76 175.67 2c42 s GLN 220 N 0.25 1.87 0.92 0.00 -0.21 -1.26 -5.13 119.66 116.09 2c42 s GLN 220 Ca -0.07 -0.81 -0.14 0.00 0.02 0.00 0.00 55.36 54.37 2c42 s GLN 220 Cb -0.15 -1.79 0.18 0.00 1.00 0.00 0.00 33.01 32.26 2c42 s GLN 220 CO 0.04 0.47 1.27 -0.80 -2.12 0.00 0.00 175.29 174.15 2c42 s ASN 221 N -0.49 3.38 0.62 5.90 0.01 -1.26 -4.75 114.94 118.34 2c42 s ASN 221 Ca 0.08 0.20 0.36 0.00 -0.71 0.00 0.00 52.86 52.79 2c42 s ASN 221 Cb -0.09 -0.32 2.04 0.00 0.41 0.00 0.00 41.25 43.29 2c42 s ASN 221 CO -0.01 -2.56 2.28 -0.65 -1.51 0.00 0.00 177.10 174.66 2c42 h PRO 222 N -1.45 0.00 0.00 -0.60 0.11 -2.01 -2.51 132.00 125.55 2c42 h PRO 222 Ca -0.43 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 2c42 h PRO 222 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2c42 h PRO 222 CO 0.40 0.01 -0.21 0.38 -0.21 0.00 0.00 178.00 178.37 2c42 h ASP 223 N 0.00 0.00 0.00 -2.05 2.03 -2.05 -3.37 116.42 110.98 2c42 h ASP 223 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2c42 h ASP 223 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 2c42 h ASP 223 CO 0.00 0.21 0.00 2.30 -1.03 0.00 0.00 179.24 180.72 2c42 n ILE 224 N -4.17 0.00 -0.01 4.15 -5.35 -1.12 -4.88 119.36 107.98 2c42 n ILE 224 Ca -0.02 -0.17 -0.09 0.00 -0.27 0.00 0.00 62.75 62.20 2c42 n ILE 224 Cb 0.28 1.10 -0.03 0.00 -1.74 0.00 0.00 39.64 39.24 2c42 n ILE 224 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 2c42 h TYR 225 N 0.00 -0.33 -0.44 4.28 3.20 -1.62 -1.54 116.97 120.51 2c42 h TYR 225 Ca 0.00 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.95 2c42 h TYR 225 Cb 0.05 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 2c42 h TYR 225 CO 0.00 -0.20 0.14 0.35 -1.64 0.00 0.00 178.16 176.81 2c42 h PHE 226 N -0.15 0.24 -0.49 -3.82 -0.00 -1.86 -0.31 116.94 110.55 2c42 h PHE 226 Ca 0.10 0.02 0.02 0.00 -0.00 0.00 0.00 57.97 58.11 2c42 h PHE 226 Cb 0.29 -0.04 -0.03 0.00 -0.00 0.00 0.00 35.95 36.17 2c42 h PHE 226 CO -0.26 0.07 0.30 1.96 -0.00 0.00 0.00 178.31 180.38 2c42 h GLN 227 N 0.30 0.58 -0.44 1.11 7.50 -1.83 -2.43 115.11 119.90 2c42 h GLN 227 Ca 0.21 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.32 2c42 h GLN 227 Cb 0.23 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.60 2c42 h GLN 227 CO -0.23 0.39 0.25 0.78 -1.50 0.00 0.00 178.83 178.52 2c42 h GLY 228 N 0.60 0.64 1.91 3.46 0.00 -0.34 -1.77 103.07 107.57 2c42 h GLY 228 Ca 0.19 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 2c42 h GLY 228 CO -0.08 0.26 -0.55 -0.09 0.00 0.00 0.00 176.54 176.08 2c42 h ARG 229 N 0.61 0.10 0.00 4.80 9.65 -0.63 -3.10 114.38 125.81 2c42 h ARG 229 Ca 0.16 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2c42 h ARG 229 Cb 0.00 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2c42 h ARG 229 CO -0.03 0.62 -0.43 0.39 2.80 0.00 0.00 179.97 183.32 2c42 n GLU 230 N -3.90 0.25 0.25 0.20 -0.58 -0.85 -4.13 120.64 111.88 2c42 n GLU 230 Ca -0.02 0.11 0.16 0.00 -0.42 0.00 0.00 57.16 56.99 2c42 n GLU 230 Cb 0.57 -1.69 0.86 0.00 -0.57 0.00 0.00 31.44 30.60 2c42 n GLU 230 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2c42 h ALA 231 N 2.57 1.69 -0.00 0.62 0.00 -1.26 -2.19 119.26 120.69 2c42 h ALA 231 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c42 h ALA 231 Cb 0.72 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2c42 h ALA 231 CO 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.05 2c42 n ALA 232 N -2.34 2.64 -0.28 0.00 0.00 -1.26 -4.33 120.51 114.94 2c42 n ALA 232 Ca -0.01 -0.21 0.09 0.00 0.00 0.00 0.00 53.44 53.31 2c42 n ALA 232 Cb 0.21 -1.42 0.21 0.00 0.00 0.00 0.00 19.45 18.45 2c42 n ALA 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2c42 h ASN 233 N 0.30 -0.29 -0.88 0.00 2.35 -1.68 -0.46 115.58 114.93 2c42 h ASN 233 Ca 0.00 0.21 0.15 0.00 -0.55 0.00 0.00 56.30 56.11 2c42 h ASN 233 Cb 0.27 0.35 -0.07 0.00 0.05 0.00 0.00 38.32 38.92 2c42 h ASN 233 CO 0.00 -0.20 0.57 -0.65 -1.65 0.00 0.00 177.43 175.50 2c42 h PRO 234 N 0.12 0.62 -0.39 0.81 0.11 -1.85 -0.97 132.00 130.46 2c42 h PRO 234 Ca 0.48 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.42 2c42 h PRO 234 Cb 0.91 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2c42 h PRO 234 CO -0.71 0.41 -0.29 1.88 -0.21 0.00 0.00 178.00 179.08 2c42 h TYR 235 N 0.64 1.03 -0.13 0.65 0.05 -1.40 -2.97 116.97 114.85 2c42 h TYR 235 Ca 0.45 -0.29 -0.13 0.00 0.05 0.00 0.00 58.73 58.81 2c42 h TYR 235 Cb 0.78 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 2c42 h TYR 235 CO -0.00 1.09 -0.48 1.88 -1.05 0.00 0.00 178.16 179.60 2c42 h TYR 236 N 0.69 0.39 0.00 4.88 -1.99 -1.23 -2.89 116.97 116.82 2c42 h TYR 236 Ca 0.07 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 2c42 h TYR 236 Cb 0.87 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.51 2c42 h TYR 236 CO 0.06 0.74 -0.14 -0.07 -0.00 0.00 0.00 178.16 178.75 2c42 h LEU 237 N 0.26 0.00 0.00 3.88 3.38 -1.12 -2.69 115.31 119.01 2c42 h LEU 237 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2c42 h LEU 237 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2c42 h LEU 237 CO 0.08 0.14 -0.93 0.29 0.09 0.00 0.00 178.44 178.11 2c42 n LYS 238 N -3.77 0.37 -0.09 1.13 4.76 -1.11 -4.46 118.16 115.00 2c42 n LYS 238 Ca -0.02 0.05 -0.06 0.00 -2.87 0.00 0.00 58.31 55.41 2c42 n LYS 238 Cb 0.25 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 2c42 n LYS 238 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2c42 h VAL 239 N 0.00 0.59 -0.59 -0.18 2.07 -1.28 -2.01 116.25 114.85 2c42 h VAL 239 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2c42 h VAL 239 Cb 0.80 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2c42 h VAL 239 CO 0.00 0.00 0.27 -0.65 0.02 0.00 0.00 177.57 177.21 2c42 h PRO 240 N -0.06 0.48 -0.27 1.57 0.11 -1.78 -0.34 132.00 131.72 2c42 h PRO 240 Ca 0.16 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 2c42 h PRO 240 Cb 0.30 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 2c42 h PRO 240 CO -0.37 0.32 -0.12 0.78 -0.21 0.00 0.00 178.00 178.41 2c42 h GLY 241 N 0.50 0.47 1.42 -0.55 0.00 -1.76 -1.48 103.07 101.68 2c42 h GLY 241 Ca 0.28 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 47.13 2c42 h GLY 241 CO -0.23 0.29 -0.57 -2.22 0.00 0.00 0.00 176.54 173.82 2c42 h ILE 242 N 0.41 1.31 -0.29 2.60 2.04 -0.61 -0.81 117.51 122.17 2c42 h ILE 242 Ca 0.08 -1.81 -0.05 0.00 1.00 0.00 0.00 64.86 64.08 2c42 h ILE 242 Cb 0.46 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2c42 h ILE 242 CO 0.03 0.57 0.01 0.58 0.00 0.00 0.00 178.15 179.33 2c42 h VAL 243 N 0.46 1.25 -0.90 1.67 2.07 -0.76 -1.65 116.25 118.39 2c42 h VAL 243 Ca 0.01 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2c42 h VAL 243 Cb 1.12 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 2c42 h VAL 243 CO 0.11 0.30 0.49 0.00 0.02 0.00 0.00 177.57 178.48 2c42 h ALA 244 N 0.84 1.16 -0.23 1.67 0.00 -1.21 -0.56 119.26 120.92 2c42 h ALA 244 Ca 0.08 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2c42 h ALA 244 Cb 0.42 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2c42 h ALA 244 CO 0.01 0.67 0.08 1.49 0.00 0.00 0.00 179.25 181.50 2c42 h GLU 245 N 1.26 0.18 0.00 0.00 4.81 -0.90 -1.51 114.58 118.43 2c42 h GLU 245 Ca 0.32 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.46 2c42 h GLU 245 Cb 0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2c42 h GLU 245 CO -0.05 0.12 -0.34 1.88 -0.73 0.00 0.00 179.01 179.89 2c42 h TYR 246 N 0.19 0.00 -0.55 0.92 -1.99 -0.96 -0.50 116.97 114.08 2c42 h TYR 246 Ca 0.10 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.75 2c42 h TYR 246 Cb 0.07 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 2c42 h TYR 246 CO -0.12 0.34 0.03 0.52 -0.00 0.00 0.00 178.16 178.92 2c42 h MET 247 N 0.00 0.95 -0.42 4.88 2.86 -0.78 -0.57 114.93 121.85 2c42 h MET 247 Ca -0.00 -0.29 -0.10 0.00 -2.06 0.00 0.00 59.70 57.25 2c42 h MET 247 Cb 1.02 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 2c42 h MET 247 CO 0.04 0.95 -0.14 1.96 1.06 0.00 0.00 176.91 180.78 2c42 h GLN 248 N 0.83 0.84 -0.16 1.72 4.20 -0.94 -1.45 115.11 120.16 2c42 h GLN 248 Ca 0.16 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 2c42 h GLN 248 Cb 0.50 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2c42 h GLN 248 CO 0.02 0.97 0.03 0.87 -0.67 0.00 0.00 178.83 180.05 2c42 h LYS 249 N 0.66 0.26 -1.00 1.46 1.57 -0.94 -1.34 116.57 117.24 2c42 h LYS 249 Ca 0.10 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2c42 h LYS 249 Cb 0.68 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 2c42 h LYS 249 CO 0.05 0.43 0.66 0.28 -0.57 0.00 0.00 179.45 180.30 2c42 h VAL 250 N 0.05 1.25 -0.03 0.50 2.07 -1.11 -1.78 116.25 117.20 2c42 h VAL 250 Ca 0.05 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 2c42 h VAL 250 Cb 0.30 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2c42 h VAL 250 CO 0.00 0.25 -0.21 0.00 0.02 0.00 0.00 177.57 177.63 2c42 h ALA 251 N 1.38 1.60 0.00 1.67 0.00 -1.00 -0.28 119.26 122.63 2c42 h ALA 251 Ca 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2c42 h ALA 251 Cb -0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2c42 h ALA 251 CO -0.08 0.30 -0.03 0.66 0.00 0.00 0.00 179.25 180.10 2c42 h SER 252 N 0.04 0.00 0.05 0.00 4.64 -0.33 0.48 113.55 118.44 2c42 h SER 252 Ca 0.01 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.95 2c42 h SER 252 Cb 0.40 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.44 2c42 h SER 252 CO 0.03 0.03 -2.31 0.18 -0.87 0.00 0.00 176.83 173.88 2c42 n LEU 253 N -3.23 2.78 -0.03 5.97 4.77 -0.46 -4.66 117.00 122.15 2c42 n LEU 253 Ca -0.02 -0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 55.90 2c42 n LEU 253 Cb 0.19 -0.94 -0.13 0.00 -2.33 0.00 0.00 43.42 40.20 2c42 n LEU 253 CO 0.25 0.90 -0.70 0.35 -1.33 0.00 0.00 177.39 176.86 2c42 n THR 254 N -3.32 1.29 -0.63 -5.08 -2.24 -0.24 -4.98 114.28 99.08 2c42 n THR 254 Ca -0.41 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 2c42 n THR 254 Cb 1.01 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 2c42 n THR 254 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c42 n GLY 255 N 1.55 0.78 3.32 3.38 0.00 0.17 -5.01 105.19 109.37 2c42 n GLY 255 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2c42 n GLY 255 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c42 s ARG 256 N -0.37 2.71 0.22 1.61 0.52 -1.26 -5.05 118.95 117.33 2c42 s ARG 256 Ca 0.00 -1.24 -0.07 0.00 -0.52 0.00 0.00 55.73 53.90 2c42 s ARG 256 Cb 0.00 -3.71 -0.06 0.00 0.52 0.00 0.00 34.95 31.70 2c42 s ARG 256 CO 0.00 -0.79 0.50 -1.12 0.02 0.00 0.00 175.30 173.90 2c42 s SER 257 N 1.74 6.53 0.07 0.23 0.01 -1.26 -4.27 113.70 116.75 2c42 s SER 257 Ca 0.02 0.75 -0.06 0.00 1.31 0.00 0.00 55.95 57.97 2c42 s SER 257 Cb -0.21 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 2c42 s SER 257 CO 0.04 -0.07 0.11 -0.31 0.41 0.00 0.00 173.24 173.42 2c42 s TYR 258 N -1.85 0.28 0.23 2.43 1.51 -1.26 -5.13 117.35 113.56 2c42 s TYR 258 Ca 0.44 -0.73 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 2c42 s TYR 258 Cb -0.11 -0.18 -0.05 0.00 -0.11 0.00 0.00 41.96 41.51 2c42 s TYR 258 CO 0.25 -0.47 0.02 0.15 -1.11 0.00 0.00 175.55 174.39 2c42 s LYS 259 N -3.75 1.31 0.37 -0.62 1.02 -1.26 -4.74 119.74 112.07 2c42 s LYS 259 Ca 0.05 -1.67 0.09 0.00 0.02 0.00 0.00 55.97 54.45 2c42 s LYS 259 Cb 0.05 -0.46 0.82 0.00 -0.52 0.00 0.00 37.83 37.73 2c42 s LYS 259 CO -0.10 -0.15 1.90 -0.07 -0.92 0.00 0.00 175.35 176.01 2c42 h LEU 260 N 2.49 0.63 -7.67 3.17 3.38 -1.94 -3.39 115.31 111.98 2c42 h LEU 260 Ca -0.38 0.03 -0.35 0.00 0.09 0.00 0.00 57.88 57.27 2c42 h LEU 260 Cb 1.22 -0.10 -0.33 0.00 0.09 0.00 0.00 40.66 41.54 2c42 h LEU 260 CO 0.63 0.35 -0.75 -0.36 0.09 0.00 0.00 178.44 178.40 2c42 s PHE 261 N -5.65 0.40 0.01 1.13 0.08 -1.26 -0.90 117.98 111.79 2c42 s PHE 261 Ca -0.10 -0.05 0.08 0.00 0.12 0.00 0.00 56.93 56.99 2c42 s PHE 261 Cb 0.21 -0.43 -0.02 0.00 -0.57 0.00 0.00 43.02 42.21 2c42 s PHE 261 CO 0.78 -0.12 -0.26 -0.51 -0.10 0.00 0.00 175.22 175.01 2c42 s ASP 262 N 0.82 3.02 -0.07 1.36 -0.00 -0.54 -4.79 116.67 116.47 2c42 s ASP 262 Ca -0.09 -0.51 0.01 0.00 -0.00 0.00 0.00 52.55 51.96 2c42 s ASP 262 Cb -0.12 -0.31 -0.03 0.00 -0.00 0.00 0.00 42.92 42.46 2c42 s ASP 262 CO -0.01 0.29 -0.09 -0.47 -0.00 0.00 0.00 175.17 174.89 2c42 s TYR 263 N -0.68 2.88 0.02 4.23 6.14 -1.26 0.37 117.35 129.05 2c42 s TYR 263 Ca 0.10 -0.09 0.02 0.00 0.64 0.00 0.00 57.07 57.74 2c42 s TYR 263 Cb -0.10 -1.72 -0.01 0.00 0.42 0.00 0.00 41.96 40.55 2c42 s TYR 263 CO 0.00 0.23 -0.07 0.14 0.64 0.00 0.00 175.55 176.49 2c42 s VAL 264 N -0.62 0.51 -1.06 3.14 -7.23 -0.47 -5.00 120.40 109.67 2c42 s VAL 264 Ca 0.09 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 2c42 s VAL 264 Cb -0.11 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.31 2c42 s VAL 264 CO 0.02 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 2c42 n GLY 265 N 2.17 0.51 3.72 2.32 0.00 -1.26 -0.46 105.19 112.18 2c42 n GLY 265 Ca -0.18 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.21 2c42 n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 s ALA 266 N -1.79 3.56 0.15 4.61 0.00 -0.59 -4.89 121.76 122.82 2c42 s ALA 266 Ca 0.00 1.10 0.34 0.00 0.00 0.00 0.00 51.96 53.39 2c42 s ALA 266 Cb 0.00 -3.52 1.67 0.00 0.00 0.00 0.00 23.12 21.27 2c42 s ALA 266 CO 0.00 -0.58 2.02 -1.00 0.00 0.00 0.00 175.76 176.19 2c42 h PRO 267 N 6.54 0.00 -0.29 0.00 0.13 -1.96 -1.88 132.00 134.54 2c42 h PRO 267 Ca -0.43 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.58 2c42 h PRO 267 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 2c42 h PRO 267 CO 0.84 0.00 -0.11 -0.40 -0.23 0.00 0.00 178.00 178.11 2c42 n ASP 268 N -2.77 2.58 -4.76 1.44 5.75 -1.26 -4.75 116.55 112.78 2c42 n ASP 268 Ca -0.01 -3.65 -0.39 0.00 -0.01 0.00 0.00 54.79 50.73 2c42 n ASP 268 Cb 0.15 -0.60 0.02 0.00 -1.03 0.00 0.00 41.12 39.65 2c42 n ASP 268 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2c42 s ALA 269 N -3.17 3.09 -0.05 2.12 0.00 -0.71 -4.89 121.76 118.16 2c42 s ALA 269 Ca 0.43 1.32 0.16 0.00 0.00 0.00 0.00 51.96 53.87 2c42 s ALA 269 Cb 0.39 -3.54 -0.24 0.00 0.00 0.00 0.00 23.12 19.72 2c42 s ALA 269 CO 0.00 -1.11 0.30 0.39 0.00 0.00 0.00 175.76 175.35 2c42 n GLU 270 N -0.40 0.69 -4.20 0.00 1.02 -0.75 -2.59 120.64 114.41 2c42 n GLU 270 Ca 0.07 -0.12 -0.33 0.00 -0.02 0.00 0.00 57.16 56.76 2c42 n GLU 270 Cb 0.44 -1.39 -0.16 0.00 -0.02 0.00 0.00 31.44 30.30 2c42 n GLU 270 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2c42 s ARG 271 N -3.00 2.92 -0.01 3.49 0.52 -1.22 0.28 118.95 121.92 2c42 s ARG 271 Ca -0.06 -0.80 0.04 0.00 -0.52 0.00 0.00 55.73 54.38 2c42 s ARG 271 Cb 0.09 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 33.06 2c42 s ARG 271 CO 0.68 -0.18 -0.13 0.08 0.02 0.00 0.00 175.30 175.76 2c42 s VAL 272 N 1.23 1.06 -0.04 3.52 1.01 -0.53 -1.77 120.40 124.87 2c42 s VAL 272 Ca 0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 2c42 s VAL 272 Cb -0.13 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2c42 s VAL 272 CO -0.11 0.30 0.05 -0.63 0.00 0.00 0.00 175.10 174.70 2c42 s ILE 273 N -0.32 4.55 -0.19 2.22 1.01 -0.52 -0.73 121.20 127.23 2c42 s ILE 273 Ca 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 2c42 s ILE 273 Cb -0.05 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.42 2c42 s ILE 273 CO -0.00 0.46 -0.16 -0.69 0.00 0.00 0.00 174.94 174.54 2c42 s VAL 274 N -1.07 2.42 0.25 2.92 1.01 -0.06 -0.05 120.40 125.82 2c42 s VAL 274 Ca 0.19 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2c42 s VAL 274 Cb -0.12 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2c42 s VAL 274 CO 0.09 0.51 0.26 -0.55 0.00 0.00 0.00 175.10 175.41 2c42 s SER 275 N 1.29 0.49 -0.06 3.32 0.15 -0.87 -1.54 113.70 116.47 2c42 s SER 275 Ca 0.04 -1.39 -0.05 0.00 0.70 0.00 0.00 55.95 55.25 2c42 s SER 275 Cb -0.14 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 2c42 s SER 275 CO -0.09 -0.99 0.15 -0.32 1.20 0.00 0.00 173.24 173.19 2c42 s MET 276 N -3.86 0.18 0.45 5.44 1.75 -1.26 -1.57 119.30 120.42 2c42 s MET 276 Ca 0.35 0.22 0.00 0.00 -1.25 0.00 0.00 55.69 55.01 2c42 s MET 276 Cb 0.04 0.08 0.00 0.00 2.84 0.00 0.00 34.83 37.78 2c42 s MET 276 CO 0.15 -0.03 0.00 0.41 -0.65 0.00 0.00 175.02 174.91 2c42 n GLY 277 N 3.05 -1.81 0.35 2.11 0.00 -1.26 -4.43 105.19 103.21 2c42 n GLY 277 Ca -0.13 -1.82 0.18 0.00 0.00 0.00 0.00 46.02 44.25 2c42 n GLY 277 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2c42 h SER 278 N 0.00 0.00 -0.20 1.61 4.64 -1.75 -1.22 113.55 116.64 2c42 h SER 278 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2c42 h SER 278 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2c42 h SER 278 CO 0.00 0.00 0.14 0.77 -0.87 0.00 0.00 176.83 176.87 2c42 h SER 279 N 0.00 0.01 -0.48 4.97 4.64 -1.85 -2.14 113.55 118.70 2c42 h SER 279 Ca 0.09 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2c42 h SER 279 Cb 0.70 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2c42 h SER 279 CO -0.00 0.01 0.32 0.00 -0.87 0.00 0.00 176.83 176.28 2c42 h GLU 281 N 0.62 0.07 -0.57 0.00 4.39 -1.58 -1.29 114.58 116.22 2c42 h GLU 281 Ca 0.18 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 2c42 h GLU 281 Cb -0.03 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2c42 h GLU 281 CO -0.04 0.28 -0.04 1.15 -1.16 0.00 0.00 179.01 179.20 2c42 h THR 282 N -0.15 1.26 -0.54 1.13 2.02 -1.35 -1.72 112.91 113.56 2c42 h THR 282 Ca 0.01 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 2c42 h THR 282 Cb 0.24 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2c42 h THR 282 CO 0.00 0.42 0.28 0.40 0.37 0.00 0.00 175.52 176.99 2c42 h ILE 283 N 0.92 1.19 -0.75 3.11 2.04 -1.09 -1.63 117.51 121.31 2c42 h ILE 283 Ca 0.16 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 2c42 h ILE 283 Cb 0.58 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2c42 h ILE 283 CO 0.04 0.21 0.27 -0.08 0.00 0.00 0.00 178.15 178.59 2c42 h GLU 284 N 0.73 1.13 -0.49 2.37 4.81 -1.03 -0.19 114.58 121.92 2c42 h GLU 284 Ca 0.19 -0.22 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2c42 h GLU 284 Cb 0.08 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2c42 h GLU 284 CO -0.03 0.93 0.26 1.49 -0.73 0.00 0.00 179.01 180.93 2c42 h GLU 285 N 1.10 0.49 -0.59 1.92 4.81 -0.88 -1.17 114.58 120.26 2c42 h GLU 285 Ca 0.25 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2c42 h GLU 285 Cb 0.25 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2c42 h GLU 285 CO -0.02 0.33 0.09 0.28 -0.73 0.00 0.00 179.01 178.96 2c42 h VAL 286 N 0.51 1.26 -0.40 0.32 2.07 -0.87 -2.83 116.25 116.31 2c42 h VAL 286 Ca 0.21 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.78 2c42 h VAL 286 Cb 0.09 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2c42 h VAL 286 CO -0.13 0.36 0.15 0.40 0.02 0.00 0.00 177.57 178.37 2c42 h ILE 287 N 0.88 0.89 -0.92 4.57 2.04 -0.41 0.88 117.51 125.44 2c42 h ILE 287 Ca 0.18 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 66.00 2c42 h ILE 287 Cb 0.43 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 2c42 h ILE 287 CO 0.01 0.06 0.58 0.78 0.00 0.00 0.00 178.15 179.58 2c42 h ASN 288 N 0.32 0.91 0.00 1.72 2.35 -1.09 0.26 115.58 120.05 2c42 h ASN 288 Ca 0.18 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2c42 h ASN 288 Cb 0.16 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2c42 h ASN 288 CO -0.18 0.57 -0.00 -0.74 -1.65 0.00 0.00 177.43 175.43 2c42 h HIS 289 N 1.04 -0.00 -0.12 1.19 2.76 -1.07 -2.86 115.15 116.09 2c42 h HIS 289 Ca 0.41 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.46 2c42 h HIS 289 Cb 0.21 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 2c42 h HIS 289 CO -0.02 0.43 -0.46 -0.07 -1.30 0.00 0.00 177.93 176.51 2c42 h LEU 290 N -0.43 0.32 -1.04 0.26 3.38 -0.65 -3.04 115.31 114.10 2c42 h LEU 290 Ca -0.00 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2c42 h LEU 290 Cb 0.43 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2c42 h LEU 290 CO 0.00 0.74 0.10 0.00 0.09 0.00 0.00 178.44 179.37 2c42 h ALA 291 N 1.28 1.22 0.00 1.53 0.00 -0.53 -0.50 119.26 122.26 2c42 h ALA 291 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2c42 h ALA 291 Cb 0.90 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2c42 h ALA 291 CO 0.07 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2c42 n ALA 292 N -2.47 1.47 -0.52 0.00 0.00 -1.08 -0.99 120.51 116.93 2c42 n ALA 292 Ca 0.03 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2c42 n ALA 292 Cb 0.24 -1.12 0.19 0.00 0.00 0.00 0.00 19.45 18.76 2c42 n ALA 292 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2c42 n LYS 293 N -1.36 2.89 0.00 0.00 5.02 -0.21 -4.97 118.16 119.52 2c42 n LYS 293 Ca 0.03 -2.37 0.00 0.00 -2.02 0.00 0.00 58.31 53.95 2c42 n LYS 293 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2c42 n LYS 293 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c42 n GLY 294 N 0.04 2.33 3.72 0.72 0.00 -0.16 -5.03 105.19 106.81 2c42 n GLY 294 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2c42 n GLY 294 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c42 s GLU 295 N -0.61 4.18 -0.99 1.61 2.02 -1.10 -4.93 118.70 118.88 2c42 s GLU 295 Ca 0.00 2.46 -0.14 0.00 0.02 0.00 0.00 54.97 57.32 2c42 s GLU 295 Cb 0.00 -3.12 0.21 0.00 0.10 0.00 0.00 34.13 31.33 2c42 s GLU 295 CO 0.00 -0.66 1.03 0.15 0.02 0.00 0.00 175.26 175.81 2c42 s LYS 296 N 1.01 3.85 0.15 1.61 1.02 -1.26 -4.21 119.74 121.91 2c42 s LYS 296 Ca 0.71 -2.56 0.05 0.00 0.02 0.00 0.00 55.97 54.19 2c42 s LYS 296 Cb -0.46 -4.66 -0.04 0.00 -0.52 0.00 0.00 37.83 32.15 2c42 s LYS 296 CO 0.33 -1.44 -0.12 0.96 -0.92 0.00 0.00 175.35 174.16 2c42 s ILE 297 N 0.46 1.30 0.34 2.17 -4.36 -1.26 -1.81 121.20 118.03 2c42 s ILE 297 Ca 0.28 -1.98 -0.07 0.00 -0.26 0.00 0.00 60.65 58.62 2c42 s ILE 297 Cb -0.08 -1.78 0.01 0.00 1.25 0.00 0.00 42.46 41.87 2c42 s ILE 297 CO -0.07 -0.63 0.55 -0.83 0.24 0.00 0.00 174.94 174.19 2c42 s GLY 298 N -2.98 1.05 -0.07 6.27 0.00 -0.73 -1.54 107.32 109.32 2c42 s GLY 298 Ca 0.15 -1.22 -0.05 0.00 0.00 0.00 0.00 44.72 43.60 2c42 s GLY 298 CO 0.02 -0.77 0.17 -2.27 0.00 0.00 0.00 173.10 170.26 2c42 s LEU 299 N -3.16 1.10 -0.28 0.66 2.96 0.39 -1.44 118.68 118.92 2c42 s LEU 299 Ca 0.25 0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 54.46 2c42 s LEU 299 Cb -0.02 0.56 0.01 0.00 0.50 0.00 0.00 46.19 47.24 2c42 s LEU 299 CO 0.16 -0.09 0.05 -0.63 -1.32 0.00 0.00 176.35 174.52 2c42 s ILE 300 N 0.47 3.80 -0.13 6.68 1.01 0.92 -1.37 121.20 132.58 2c42 s ILE 300 Ca -0.03 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.76 2c42 s ILE 300 Cb -0.05 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2c42 s ILE 300 CO -0.02 0.16 0.57 -0.54 0.00 0.00 0.00 174.94 175.10 2c42 s LYS 301 N 1.49 4.32 -0.31 2.79 1.02 0.16 -2.05 119.74 127.15 2c42 s LYS 301 Ca 0.03 0.58 -0.19 0.00 0.02 0.00 0.00 55.97 56.41 2c42 s LYS 301 Cb -0.17 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 2c42 s LYS 301 CO 0.01 0.01 0.58 0.08 -0.92 0.00 0.00 175.35 175.11 2c42 s VAL 302 N 1.06 4.98 -0.11 3.17 1.01 -0.61 -1.47 120.40 128.43 2c42 s VAL 302 Ca 0.29 0.71 -0.10 0.00 0.00 0.00 0.00 61.98 62.87 2c42 s VAL 302 Cb -0.16 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 2c42 s VAL 302 CO 0.12 -0.13 -0.20 0.54 0.00 0.00 0.00 175.10 175.43 2c42 n ARG 303 N 5.80 0.33 -3.09 2.72 3.00 -0.08 -4.60 116.66 120.74 2c42 n ARG 303 Ca -0.03 0.22 -0.44 0.00 -0.01 0.00 0.00 57.85 57.60 2c42 n ARG 303 Cb 0.49 -1.18 -0.06 0.00 0.00 0.00 0.00 32.46 31.71 2c42 n ARG 303 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2c42 s LEU 304 N -6.92 4.85 0.05 0.55 2.96 -0.83 -0.88 118.68 118.46 2c42 s LEU 304 Ca -0.17 -0.87 -0.03 0.00 -0.22 0.00 0.00 54.13 52.84 2c42 s LEU 304 Cb 0.02 -2.49 -0.28 0.00 0.50 0.00 0.00 46.19 43.94 2c42 s LEU 304 CO 0.24 -0.98 1.06 0.22 -1.32 0.00 0.00 176.35 175.57 2c42 h TYR 305 N 9.08 0.46 -3.34 5.38 3.20 -1.25 -3.44 116.97 127.06 2c42 h TYR 305 Ca -0.27 -0.33 -0.29 0.00 3.14 0.00 0.00 58.73 60.97 2c42 h TYR 305 Cb 1.09 -0.02 -0.34 0.00 1.54 0.00 0.00 36.73 39.00 2c42 h TYR 305 CO 0.79 1.30 -0.67 1.03 -1.64 0.00 0.00 178.16 178.96 2c42 s ARG 306 N -2.65 0.01 0.55 1.82 1.81 -1.15 -3.39 118.95 115.96 2c42 s ARG 306 Ca -0.05 0.33 -0.20 0.00 -1.72 0.00 0.00 55.73 54.09 2c42 s ARG 306 Cb 0.07 -0.26 -0.05 0.00 -0.45 0.00 0.00 34.95 34.26 2c42 s ARG 306 CO 0.87 -0.21 1.22 -2.14 -0.68 0.00 0.00 175.30 174.36 2c42 s PRO 307 N 1.43 3.19 -0.44 3.54 0.02 -1.26 0.10 135.00 141.58 2c42 s PRO 307 Ca -0.05 1.86 -0.20 0.00 0.02 0.00 0.00 61.00 62.63 2c42 s PRO 307 Cb -0.12 -2.08 0.03 0.00 0.02 0.00 0.00 34.50 32.34 2c42 s PRO 307 CO -0.04 -1.04 0.59 0.12 -0.33 0.00 0.00 177.00 176.29 2c42 s PHE 308 N -1.55 3.09 -0.51 6.54 5.36 -1.22 -4.93 117.98 124.75 2c42 s PHE 308 Ca 0.73 -0.19 -0.17 0.00 -0.96 0.00 0.00 56.93 56.34 2c42 s PHE 308 Cb -0.31 -3.24 0.08 0.00 -0.34 0.00 0.00 43.02 39.21 2c42 s PHE 308 CO 0.35 -0.84 0.53 0.08 -1.46 0.00 0.00 175.22 173.87 2c42 s VAL 309 N 2.62 5.06 0.34 3.12 1.01 -1.26 -4.94 120.40 126.35 2c42 s VAL 309 Ca 0.19 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2c42 s VAL 309 Cb -0.15 -4.26 0.28 0.00 0.00 0.00 0.00 36.38 32.24 2c42 s VAL 309 CO 0.17 -0.77 1.97 0.28 0.00 0.00 0.00 175.10 176.75 2c42 h SER 310 N 8.91 0.74 -0.94 3.32 0.02 -1.99 -1.93 113.55 121.69 2c42 h SER 310 Ca -0.29 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.67 2c42 h SER 310 Cb 1.10 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.42 2c42 h SER 310 CO 0.96 0.51 0.63 -0.08 -1.14 0.00 0.00 176.83 177.70 2c42 h GLU 311 N 0.86 1.24 -0.13 3.45 4.81 -1.99 -0.51 114.58 122.31 2c42 h GLU 311 Ca 0.29 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 2c42 h GLU 311 Cb 0.09 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2c42 h GLU 311 CO -0.09 0.82 -0.53 0.00 -0.73 0.00 0.00 179.01 178.48 2c42 h ALA 312 N 1.35 0.86 -0.18 2.92 0.00 -1.80 -1.63 119.26 120.79 2c42 h ALA 312 Ca 0.35 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2c42 h ALA 312 Cb -0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2c42 h ALA 312 CO -0.08 0.68 0.06 0.35 0.00 0.00 0.00 179.25 180.26 2c42 h PHE 313 N 0.28 0.29 -0.00 0.00 3.57 -0.71 -2.88 116.94 117.49 2c42 h PHE 313 Ca 0.01 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2c42 h PHE 313 Cb 1.02 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2c42 h PHE 313 CO 0.03 0.38 -0.32 0.74 -2.23 0.00 0.00 178.31 176.91 2c42 h PHE 314 N 0.11 0.00 0.00 0.41 0.05 -1.03 -1.87 116.94 114.62 2c42 h PHE 314 Ca 0.06 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.85 2c42 h PHE 314 Cb 0.23 -0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.18 2c42 h PHE 314 CO 0.00 0.32 0.00 0.00 -0.18 0.00 0.00 178.31 178.45 2c42 h ALA 315 N 1.68 1.00 -0.02 2.45 0.00 -1.08 -1.94 119.26 121.35 2c42 h ALA 315 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c42 h ALA 315 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2c42 h ALA 315 CO 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.15 2c42 n ALA 316 N -2.07 2.77 -2.66 0.00 0.00 -0.72 -4.94 120.51 112.90 2c42 n ALA 316 Ca -0.01 -0.64 -0.38 0.00 0.00 0.00 0.00 53.44 52.41 2c42 n ALA 316 Cb 0.17 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 2c42 n ALA 316 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2c42 s LEU 317 N -1.89 4.13 0.20 0.00 0.20 -0.73 -4.61 118.68 115.99 2c42 s LEU 317 Ca 0.21 0.45 -0.30 0.00 0.69 0.00 0.00 54.13 55.17 2c42 s LEU 317 Cb 0.16 -2.48 -0.09 0.00 -0.43 0.00 0.00 46.19 43.36 2c42 s LEU 317 CO 0.33 -0.10 1.41 -2.84 -0.29 0.00 0.00 176.35 174.87 2c42 s PRO 318 N 1.47 4.30 0.63 0.98 0.02 -1.26 -4.88 135.00 136.27 2c42 s PRO 318 Ca 0.18 2.21 0.37 0.00 0.02 0.00 0.00 61.00 63.77 2c42 s PRO 318 Cb -0.15 -3.16 2.09 0.00 0.02 0.00 0.00 34.50 33.30 2c42 s PRO 318 CO 0.08 -0.40 2.27 0.00 -0.33 0.00 0.00 177.00 178.62 2c42 h ALA 319 N 5.63 1.29 0.00 -1.55 0.00 -1.92 -1.46 119.26 121.25 2c42 h ALA 319 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2c42 h ALA 319 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2c42 h ALA 319 CO 0.81 -0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.86 2c42 n SER 320 N -3.39 0.00 -4.68 0.00 3.41 -1.26 -4.87 113.62 102.82 2c42 n SER 320 Ca -0.02 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.41 2c42 n SER 320 Cb 0.13 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 2c42 n SER 320 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c42 s ALA 321 N -2.82 3.69 -0.11 7.33 0.00 -0.55 -4.22 121.76 125.08 2c42 s ALA 321 Ca 0.19 1.33 0.12 0.00 0.00 0.00 0.00 51.96 53.60 2c42 s ALA 321 Cb 0.19 -3.76 -0.18 0.00 0.00 0.00 0.00 23.12 19.37 2c42 s ALA 321 CO 0.48 -1.29 0.10 1.63 0.00 0.00 0.00 175.76 176.69 2c42 n LYS 322 N 6.18 1.53 -4.14 0.00 5.02 0.14 -4.82 118.16 122.08 2c42 n LYS 322 Ca 0.18 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.26 2c42 n LYS 322 Cb 0.40 -1.34 -0.15 0.00 -0.02 0.00 0.00 35.03 33.91 2c42 n LYS 322 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2c42 s VAL 323 N -2.47 0.44 -0.06 -0.18 1.01 -0.54 -1.05 120.40 117.54 2c42 s VAL 323 Ca -0.06 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2c42 s VAL 323 Cb 0.05 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 36.01 2c42 s VAL 323 CO 0.56 0.17 -0.11 -0.63 0.00 0.00 0.00 175.10 175.09 2c42 s ILE 324 N 0.47 1.03 -0.18 2.22 1.01 0.13 -1.46 121.20 124.41 2c42 s ILE 324 Ca -0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 2c42 s ILE 324 Cb -0.09 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 2c42 s ILE 324 CO -0.00 0.33 -0.07 -0.89 0.00 0.00 0.00 174.94 174.31 2c42 s THR 325 N 0.75 3.31 -0.29 2.92 2.01 0.09 -0.10 115.64 124.33 2c42 s THR 325 Ca -0.13 -0.54 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 2c42 s THR 325 Cb -0.15 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 2c42 s THR 325 CO 0.03 0.47 0.16 -0.69 -0.69 0.00 0.00 174.62 173.89 2c42 s VAL 326 N 1.00 4.88 -0.21 3.82 1.01 0.55 -0.89 120.40 130.57 2c42 s VAL 326 Ca -0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 2c42 s VAL 326 Cb -0.15 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2c42 s VAL 326 CO -0.00 0.18 0.22 -0.76 0.00 0.00 0.00 175.10 174.74 2c42 s LEU 327 N 1.68 4.17 -0.09 3.92 1.43 -0.59 -1.76 118.68 127.45 2c42 s LEU 327 Ca 0.06 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2c42 s LEU 327 Cb -0.16 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 2c42 s LEU 327 CO 0.08 0.08 -0.14 -1.81 0.23 0.00 0.00 176.35 174.78 2c42 s ASP 328 N 0.75 3.95 -0.82 2.29 1.01 -0.37 -4.56 116.67 118.93 2c42 s ASP 328 Ca 0.11 -0.28 -0.02 0.00 0.71 0.00 0.00 52.55 53.08 2c42 s ASP 328 Cb -0.13 -1.19 0.31 0.00 1.01 0.00 0.00 42.92 42.92 2c42 s ASP 328 CO 0.03 0.26 2.10 -1.14 0.21 0.00 0.00 175.17 176.63 2c42 n ARG 329 N 2.90 2.93 -3.36 8.23 0.63 -1.26 -2.53 116.66 124.19 2c42 n ARG 329 Ca -0.18 -3.47 -0.08 0.00 -0.92 0.00 0.00 57.85 53.20 2c42 n ARG 329 Cb 0.52 -2.27 0.01 0.00 0.45 0.00 0.00 32.46 31.17 2c42 n ARG 329 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2c42 n THR 330 N -0.32 0.00 -3.63 5.15 5.66 -1.26 -0.66 114.28 119.22 2c42 n THR 330 Ca 0.53 -0.96 -0.10 0.00 -3.05 0.00 0.00 64.05 60.46 2c42 n THR 330 Cb 0.27 0.84 -0.11 0.00 -1.55 0.00 0.00 70.33 69.79 2c42 n THR 330 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2c42 s LYS 331 N -2.20 0.26 -0.54 1.09 2.20 -1.26 -4.82 119.74 114.48 2c42 s LYS 331 Ca 0.16 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 2c42 s LYS 331 Cb -0.03 0.10 0.14 0.00 -1.51 0.00 0.00 37.83 36.53 2c42 s LYS 331 CO 0.11 -0.31 0.32 -1.21 -0.36 0.00 0.00 175.35 173.90 2c42 s GLU 332 N 2.54 2.20 0.01 4.03 2.02 -1.26 -5.07 118.70 123.17 2c42 s GLU 332 Ca 0.01 -2.43 -0.37 0.00 0.02 0.00 0.00 54.97 52.20 2c42 s GLU 332 Cb -0.12 -3.52 -0.16 0.00 0.10 0.00 0.00 34.13 30.42 2c42 s GLU 332 CO -0.12 -1.12 1.45 -2.30 0.02 0.00 0.00 175.26 173.19 2c42 n PRO 333 N 3.55 1.23 0.00 0.39 -0.02 -1.26 -1.47 135.00 137.42 2c42 n PRO 333 Ca 0.05 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2c42 n PRO 333 Cb 0.37 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2c42 n PRO 333 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c42 n GLY 334 N 2.94 2.34 3.78 -1.23 0.00 -1.26 -5.03 105.19 106.74 2c42 n GLY 334 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2c42 n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 s ALA 335 N -2.36 2.74 -0.94 4.61 0.00 -0.54 -4.89 121.76 120.38 2c42 s ALA 335 Ca 0.00 0.72 0.16 0.00 0.00 0.00 0.00 51.96 52.84 2c42 s ALA 335 Cb 0.00 -3.32 0.69 0.00 0.00 0.00 0.00 23.12 20.49 2c42 s ALA 335 CO 0.00 -0.64 1.52 -0.35 0.00 0.00 0.00 175.76 176.28 2c42 n PRO 336 N -1.28 0.02 0.00 0.00 -0.04 -1.26 -4.83 135.00 127.61 2c42 n PRO 336 Ca 0.11 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2c42 n PRO 336 Cb 0.52 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2c42 n PRO 336 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c42 n GLY 337 N 0.08 0.71 3.88 0.55 0.00 -1.26 -5.08 105.19 104.07 2c42 n GLY 337 Ca 0.04 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 2c42 n GLY 337 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c42 s ASP 338 N 0.00 5.41 0.19 1.61 1.01 -1.26 -4.81 116.67 118.82 2c42 s ASP 338 Ca 0.00 1.17 -0.24 0.00 0.71 0.00 0.00 52.55 54.19 2c42 s ASP 338 Cb 0.00 -1.98 0.09 0.00 1.01 0.00 0.00 42.92 42.04 2c42 s ASP 338 CO 0.00 -1.37 1.56 -0.65 0.21 0.00 0.00 175.17 174.92 2c42 h PRO 339 N -0.67 -0.09 -0.55 8.23 0.11 -1.99 -2.00 132.00 135.04 2c42 h PRO 339 Ca -0.45 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2c42 h PRO 339 Cb 1.25 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2c42 h PRO 339 CO 0.63 -0.06 -0.01 1.25 -0.21 0.00 0.00 178.00 179.60 2c42 h LEU 340 N -0.10 0.96 -0.18 2.35 5.85 -1.95 -1.69 115.31 120.55 2c42 h LEU 340 Ca 0.24 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.66 2c42 h LEU 340 Cb 0.54 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2c42 h LEU 340 CO -0.85 1.04 0.05 0.22 -0.34 0.00 0.00 178.44 178.56 2c42 h TYR 341 N 0.85 0.09 -0.53 1.25 3.20 -1.82 -0.27 116.97 119.74 2c42 h TYR 341 Ca 0.15 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2c42 h TYR 341 Cb 0.56 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 2c42 h TYR 341 CO 0.04 0.04 0.23 -0.07 -1.64 0.00 0.00 178.16 176.76 2c42 h LEU 342 N 0.13 0.68 -0.26 2.82 3.38 -1.21 0.27 115.31 121.12 2c42 h LEU 342 Ca 0.08 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2c42 h LEU 342 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2c42 h LEU 342 CO -0.09 0.60 -0.01 0.44 0.09 0.00 0.00 178.44 179.47 2c42 h ASP 343 N 0.75 0.46 -0.59 -0.43 3.32 -0.67 -2.21 116.42 117.05 2c42 h ASP 343 Ca 0.18 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2c42 h ASP 343 Cb 0.12 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2c42 h ASP 343 CO -0.02 0.67 0.27 0.58 -1.72 0.00 0.00 179.24 179.02 2c42 h VAL 344 N 0.25 1.21 -0.70 -1.35 2.07 -0.66 -2.42 116.25 114.65 2c42 h VAL 344 Ca 0.07 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.02 2c42 h VAL 344 Cb 0.43 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2c42 h VAL 344 CO 0.01 0.25 0.41 0.00 0.02 0.00 0.00 177.57 178.27 2c42 h SER 346 N 0.77 0.40 -0.47 0.00 4.64 -0.98 -1.72 113.55 116.19 2c42 h SER 346 Ca 0.30 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 2c42 h SER 346 Cb 0.14 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2c42 h SER 346 CO -0.16 0.45 0.21 0.00 -0.87 0.00 0.00 176.83 176.47 2c42 h ALA 347 N 1.60 0.61 -0.28 5.18 0.00 -0.88 -0.90 119.26 124.59 2c42 h ALA 347 Ca 0.10 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2c42 h ALA 347 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2c42 h ALA 347 CO 0.00 0.19 -0.40 0.74 0.00 0.00 0.00 179.25 179.78 2c42 h PHE 348 N 0.62 0.81 -0.39 0.00 -1.00 -1.17 -1.11 116.94 114.69 2c42 h PHE 348 Ca 0.16 -0.24 -0.05 0.00 2.81 0.00 0.00 57.97 60.65 2c42 h PHE 348 Cb 0.15 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 2c42 h PHE 348 CO -0.00 0.97 0.05 0.28 -1.61 0.00 0.00 178.31 178.00 2c42 h VAL 349 N 0.55 1.24 -0.24 -0.55 2.07 -1.15 -2.76 116.25 115.42 2c42 h VAL 349 Ca 0.05 -0.88 -0.12 0.00 0.82 0.00 0.00 66.70 66.57 2c42 h VAL 349 Cb 0.93 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2c42 h VAL 349 CO 0.08 0.30 -0.34 -0.08 0.02 0.00 0.00 177.57 177.55 2c42 h GLU 350 N 0.49 0.51 -0.61 1.57 4.81 -1.10 -2.79 114.58 117.47 2c42 h GLU 350 Ca 0.12 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2c42 h GLU 350 Cb 0.38 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2c42 h GLU 350 CO 0.01 0.79 0.39 -0.09 -0.73 0.00 0.00 179.01 179.37 2c42 h ARG 351 N 0.43 0.81 -2.20 1.92 2.43 -1.05 -3.46 114.38 113.26 2c42 h ARG 351 Ca 0.05 -0.06 -0.36 0.00 -0.81 0.00 0.00 59.98 58.80 2c42 h ARG 351 Cb 0.81 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 2c42 h ARG 351 CO 0.07 0.56 -0.43 0.41 -1.51 0.00 0.00 179.97 179.06 2c42 n GLY 352 N -1.39 0.07 0.00 2.80 0.00 -1.05 -4.96 105.19 100.65 2c42 n GLY 352 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2c42 n GLY 352 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c42 n GLU 353 N -2.67 0.40 -1.89 1.61 1.02 -1.26 -5.08 120.64 112.77 2c42 n GLU 353 Ca -0.21 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.53 2c42 n GLU 353 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.07 2c42 n GLU 353 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2c42 s ALA 354 N -2.18 3.38 -0.57 0.62 0.00 -1.26 -4.99 121.76 116.77 2c42 s ALA 354 Ca 0.00 1.43 0.04 0.00 0.00 0.00 0.00 51.96 53.43 2c42 s ALA 354 Cb 0.00 -3.56 0.14 0.00 0.00 0.00 0.00 23.12 19.70 2c42 s ALA 354 CO 0.00 -1.01 0.33 -1.64 0.00 0.00 0.00 175.76 173.44 2c42 s MET 355 N -2.22 2.06 1.03 0.00 -1.94 -1.26 -5.03 119.30 111.95 2c42 s MET 355 Ca 0.56 -2.79 -0.12 0.00 -1.71 0.00 0.00 55.69 51.63 2c42 s MET 355 Cb -0.43 -3.25 0.21 0.00 2.01 0.00 0.00 34.83 33.37 2c42 s MET 355 CO 0.57 -1.17 1.08 -1.25 -0.01 0.00 0.00 175.02 174.24 2c42 s PRO 356 N -0.58 0.15 0.00 2.03 0.04 -1.26 -4.93 135.00 130.45 2c42 s PRO 356 Ca 0.20 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 2c42 s PRO 356 Cb -0.19 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 2c42 s PRO 356 CO -0.05 -2.93 1.28 0.21 0.04 0.00 0.00 177.00 175.55 2c42 s LYS 357 N -4.88 4.34 -0.19 4.56 2.47 -0.22 -4.90 119.74 120.93 2c42 s LYS 357 Ca 0.66 1.82 -0.04 0.00 -1.56 0.00 0.00 55.97 56.85 2c42 s LYS 357 Cb -0.20 -3.49 -0.02 0.00 -1.46 0.00 0.00 37.83 32.66 2c42 s LYS 357 CO 0.59 -0.45 -0.04 0.42 0.16 0.00 0.00 175.35 176.03 2c42 s ILE 358 N 1.94 3.57 0.06 5.43 -1.09 -1.26 0.21 121.20 130.05 2c42 s ILE 358 Ca 0.60 -0.45 0.09 0.00 -2.23 0.00 0.00 60.65 58.66 2c42 s ILE 358 Cb -0.29 -2.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.97 2c42 s ILE 358 CO 0.26 0.45 -0.25 -0.76 -1.23 0.00 0.00 174.94 173.41 2c42 s LEU 359 N 1.01 2.27 -0.11 2.97 1.43 0.86 -4.98 118.68 122.12 2c42 s LEU 359 Ca 0.00 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2c42 s LEU 359 Cb -0.15 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 2c42 s LEU 359 CO 0.01 0.25 -0.02 0.00 0.23 0.00 0.00 176.35 176.81 2c42 s ALA 360 N -0.86 3.13 0.01 4.21 0.00 -1.26 -0.33 121.76 126.64 2c42 s ALA 360 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2c42 s ALA 360 Cb -0.10 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 2c42 s ALA 360 CO 0.03 0.42 -0.01 0.20 0.00 0.00 0.00 175.76 176.41 2c42 s GLY 361 N -0.34 0.07 -0.07 0.00 0.00 -0.72 -1.16 107.32 105.10 2c42 s GLY 361 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.64 2c42 s GLY 361 CO 0.02 -0.18 -0.09 -1.60 0.00 0.00 0.00 173.10 171.25 2c42 s ARG 362 N -0.39 2.72 0.28 2.90 3.52 0.86 -1.24 118.95 127.60 2c42 s ARG 362 Ca -0.04 -0.59 -0.12 0.00 -0.13 0.00 0.00 55.73 54.85 2c42 s ARG 362 Cb -0.03 -2.54 0.00 0.00 -1.56 0.00 0.00 34.95 30.83 2c42 s ARG 362 CO -0.00 0.63 0.51 1.52 -0.81 0.00 0.00 175.30 177.15 2c42 s TYR 363 N -0.72 0.44 -1.05 5.12 1.13 -1.05 -1.53 117.35 119.69 2c42 s TYR 363 Ca 0.11 -0.81 0.00 0.00 -1.41 0.00 0.00 57.07 54.96 2c42 s TYR 363 Cb -0.11 0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.97 2c42 s TYR 363 CO 0.01 -1.08 0.00 0.41 -2.51 0.00 0.00 175.55 172.39 2c42 n GLY 364 N -0.43 0.87 3.75 5.49 0.00 -1.26 -4.38 105.19 109.23 2c42 n GLY 364 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2c42 n GLY 364 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c42 n LEU 365 N -1.73 4.36 -3.85 0.99 4.77 -1.26 -2.45 117.00 117.82 2c42 n LEU 365 Ca -0.10 1.18 -0.26 0.00 -0.03 0.00 0.00 56.01 56.80 2c42 n LEU 365 Cb 0.35 -1.58 0.02 0.00 -2.33 0.00 0.00 43.42 39.87 2c42 n LEU 365 CO 0.15 0.06 -0.03 0.61 -1.33 0.00 0.00 177.39 176.85 2c42 n GLY 366 N 1.45 -0.36 2.48 -0.72 0.00 -1.20 -1.58 105.19 105.25 2c42 n GLY 366 Ca 0.06 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 2c42 n GLY 366 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c42 n SER 367 N -2.94 -5.37 -4.75 1.61 7.64 0.12 -4.57 113.62 105.37 2c42 n SER 367 Ca -0.15 0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.59 2c42 n SER 367 Cb 0.61 -4.49 -0.01 0.00 -1.01 0.00 0.00 64.21 59.31 2c42 n SER 367 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2c42 n LYS 368 N -2.60 2.62 -1.62 1.43 3.00 -0.61 -4.86 118.16 115.52 2c42 n LYS 368 Ca -0.20 0.92 -0.43 0.00 -0.00 0.00 0.00 58.31 58.60 2c42 n LYS 368 Cb 0.64 -2.67 -0.01 0.00 0.00 0.00 0.00 35.03 33.00 2c42 n LYS 368 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2c42 n GLU 369 N 1.33 1.54 -3.66 1.64 -0.58 -1.26 -4.27 120.64 115.39 2c42 n GLU 369 Ca 0.05 0.54 -0.29 0.00 -0.42 0.00 0.00 57.16 57.05 2c42 n GLU 369 Cb 0.37 -2.01 -0.13 0.00 -0.57 0.00 0.00 31.44 29.11 2c42 n GLU 369 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2c42 s PHE 370 N -1.13 1.80 0.57 -0.32 5.99 -1.26 -4.66 117.98 118.98 2c42 s PHE 370 Ca 0.59 -2.35 0.01 0.00 0.00 0.00 0.00 56.93 55.18 2c42 s PHE 370 Cb -0.63 -1.70 0.05 0.00 0.00 0.00 0.00 43.02 40.73 2c42 s PHE 370 CO 0.60 -0.78 0.80 -1.54 -0.00 0.00 0.00 175.22 174.29 2c42 s SER 371 N 0.32 5.17 0.29 6.13 1.04 -1.26 -4.76 113.70 120.63 2c42 s SER 371 Ca 0.20 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.53 2c42 s SER 371 Cb -0.20 -0.73 0.48 0.00 0.10 0.00 0.00 66.02 65.66 2c42 s SER 371 CO -0.03 -1.22 1.90 -0.65 0.98 0.00 0.00 173.24 174.22 2c42 h PRO 372 N 0.02 1.06 -0.72 4.02 0.11 -1.97 -0.59 132.00 133.93 2c42 h PRO 372 Ca -0.41 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2c42 h PRO 372 Cb 1.29 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 2c42 h PRO 372 CO 0.50 0.70 0.48 0.00 -0.21 0.00 0.00 178.00 179.47 2c42 h ALA 373 N 1.49 1.51 -0.15 -0.75 0.00 -1.92 0.60 119.26 120.03 2c42 h ALA 373 Ca 0.41 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 2c42 h ALA 373 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2c42 h ALA 373 CO -0.16 0.44 -0.58 0.52 0.00 0.00 0.00 179.25 179.48 2c42 h MET 374 N 0.95 0.49 -0.60 0.00 2.86 -1.52 -1.53 114.93 115.58 2c42 h MET 374 Ca 0.27 -0.32 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 2c42 h MET 374 Cb -0.07 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2c42 h MET 374 CO -0.06 0.93 0.08 0.28 1.06 0.00 0.00 176.91 179.19 2c42 h VAL 375 N 0.37 1.26 -0.65 -2.22 2.07 -0.15 -1.51 116.25 115.42 2c42 h VAL 375 Ca 0.00 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.49 2c42 h VAL 375 Cb 1.12 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 2c42 h VAL 375 CO 0.10 0.38 0.42 0.50 0.02 0.00 0.00 177.57 178.99 2c42 h LYS 376 N 0.91 0.86 -0.96 1.57 1.63 -0.73 -1.66 116.57 118.20 2c42 h LYS 376 Ca 0.18 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 2c42 h LYS 376 Cb 0.45 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.84 2c42 h LYS 376 CO 0.02 0.59 0.63 1.03 -3.45 0.00 0.00 179.45 178.26 2c42 h SER 377 N 0.88 1.07 -0.57 4.20 0.87 -0.88 0.11 113.55 119.24 2c42 h SER 377 Ca 0.24 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 2c42 h SER 377 Cb -0.07 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.61 2c42 h SER 377 CO -0.05 0.76 0.14 0.58 -0.53 0.00 0.00 176.83 177.73 2c42 h VAL 378 N 1.26 1.25 -0.31 2.23 2.07 -0.46 -1.40 116.25 120.89 2c42 h VAL 378 Ca 0.37 -0.89 -0.17 0.00 0.82 0.00 0.00 66.70 66.83 2c42 h VAL 378 Cb -0.07 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2c42 h VAL 378 CO -0.10 0.33 -0.47 1.88 0.02 0.00 0.00 177.57 179.23 2c42 h TYR 379 N 0.82 1.07 -0.64 1.57 -1.99 -0.82 -3.06 116.97 113.92 2c42 h TYR 379 Ca 0.18 -0.36 -0.01 0.00 2.00 0.00 0.00 58.73 60.54 2c42 h TYR 379 Cb 0.34 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.83 2c42 h TYR 379 CO 0.02 1.18 0.37 -0.44 -0.00 0.00 0.00 178.16 179.30 2c42 h ASP 380 N 0.65 0.77 -0.59 3.88 3.32 -0.65 -1.81 116.42 121.98 2c42 h ASP 380 Ca 0.03 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2c42 h ASP 380 Cb 1.08 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 2c42 h ASP 380 CO 0.11 0.60 0.33 -1.13 -1.72 0.00 0.00 179.24 177.43 2c42 h ASN 381 N 0.88 0.76 0.76 6.45 -1.24 -1.16 0.09 115.58 122.12 2c42 h ASN 381 Ca 0.23 -0.06 -0.04 0.00 0.71 0.00 0.00 56.30 57.14 2c42 h ASN 381 Cb -0.01 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 2c42 h ASN 381 CO -0.04 0.61 -0.19 0.24 -1.29 0.00 0.00 177.43 176.76 2c42 h MET 382 N 0.86 0.00 0.00 6.67 2.86 -1.24 0.22 114.93 124.30 2c42 h MET 382 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2c42 h MET 382 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2c42 h MET 382 CO -0.03 0.19 -1.29 -1.13 1.06 0.00 0.00 176.91 175.71 2c42 n SER 383 N -3.45 0.68 0.00 1.22 3.41 -0.87 -4.80 113.62 109.82 2c42 n SER 383 Ca -0.00 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 2c42 n SER 383 Cb 0.37 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 2c42 n SER 383 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c42 n GLY 384 N 1.42 1.11 0.35 5.00 0.00 -0.03 -4.94 105.19 108.10 2c42 n GLY 384 Ca 0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.21 2c42 n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 h ALA 385 N -0.15 2.12 -6.18 4.61 0.00 -1.80 -3.46 119.26 114.40 2c42 h ALA 385 Ca 0.00 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.45 2c42 h ALA 385 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2c42 h ALA 385 CO 0.00 -0.44 -0.76 1.63 0.00 0.00 0.00 179.25 179.67 2c42 n LYS 386 N -4.07 -5.77 -1.95 0.00 5.02 0.76 -4.90 118.16 107.25 2c42 n LYS 386 Ca 0.05 0.64 -0.42 0.00 -2.02 0.00 0.00 58.31 56.56 2c42 n LYS 386 Cb 0.44 -5.49 -0.02 0.00 -0.02 0.00 0.00 35.03 29.94 2c42 n LYS 386 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2c42 s LYS 387 N -6.40 4.23 0.27 1.97 2.20 -1.26 -5.01 119.74 115.73 2c42 s LYS 387 Ca 0.49 2.36 0.07 0.00 -0.36 0.00 0.00 55.97 58.53 2c42 s LYS 387 Cb -0.24 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 2c42 s LYS 387 CO 0.81 -0.51 0.26 1.21 -0.36 0.00 0.00 175.35 176.76 2c42 s ASN 388 N 0.63 5.69 -1.41 1.43 3.84 -1.26 -4.59 114.94 119.26 2c42 s ASN 388 Ca 0.63 -0.21 -0.01 0.00 0.21 0.00 0.00 52.86 53.48 2c42 s ASN 388 Cb -0.43 -1.43 0.01 0.00 -0.55 0.00 0.00 41.25 38.84 2c42 s ASN 388 CO 0.40 -0.12 0.46 1.41 -2.79 0.00 0.00 177.10 176.46 2c42 n HIS 389 N -1.29 -1.68 -2.90 0.43 8.25 -0.31 -4.93 115.22 112.80 2c42 n HIS 389 Ca -0.07 0.76 -0.20 0.00 -0.26 0.00 0.00 57.72 57.95 2c42 n HIS 389 Cb 0.58 -3.76 0.02 0.00 1.12 0.00 0.00 29.99 27.95 2c42 n HIS 389 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2c42 s PHE 390 N -3.91 2.94 0.12 4.41 -0.12 -0.75 -4.91 117.98 115.76 2c42 s PHE 390 Ca 0.04 -0.10 0.10 0.00 -0.05 0.00 0.00 56.93 56.92 2c42 s PHE 390 Cb -0.02 -2.49 -0.04 0.00 -0.63 0.00 0.00 43.02 39.84 2c42 s PHE 390 CO 0.88 -0.56 -0.24 0.95 -0.05 0.00 0.00 175.22 176.20 2c42 s THR 391 N -2.55 2.00 -0.03 -4.49 -4.23 0.12 -0.10 115.64 106.37 2c42 s THR 391 Ca 0.54 -1.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 2c42 s THR 391 Cb -0.10 -1.79 0.03 0.00 1.34 0.00 0.00 72.50 71.98 2c42 s THR 391 CO 0.36 0.01 0.05 0.54 -0.54 0.00 0.00 174.62 175.04 2c42 s VAL 392 N -1.13 -0.06 0.00 2.29 0.11 -0.58 -1.24 120.40 119.80 2c42 s VAL 392 Ca 0.11 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 2c42 s VAL 392 Cb -0.10 -0.11 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 2c42 s VAL 392 CO 0.05 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 2c42 n GLY 393 N 4.16 1.12 3.22 6.54 0.00 -1.26 -4.45 105.19 114.50 2c42 n GLY 393 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2c42 n GLY 393 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2c42 s ILE 394 N -2.00 0.45 -0.42 -0.61 -4.36 -1.26 -4.94 121.20 108.06 2c42 s ILE 394 Ca 0.00 -1.96 -0.08 0.00 -0.26 0.00 0.00 60.65 58.36 2c42 s ILE 394 Cb 0.00 -2.16 0.09 0.00 1.25 0.00 0.00 42.46 41.65 2c42 s ILE 394 CO 0.00 -0.41 0.26 -0.70 0.24 0.00 0.00 174.94 174.32 2c42 s GLU 395 N -3.98 2.45 -1.03 0.37 2.12 -1.26 -4.64 118.70 112.73 2c42 s GLU 395 Ca 0.26 -1.59 -0.16 0.00 0.36 0.00 0.00 54.97 53.83 2c42 s GLU 395 Cb 0.07 -3.75 0.16 0.00 0.26 0.00 0.00 34.13 30.87 2c42 s GLU 395 CO 0.04 -1.02 1.21 0.34 -0.54 0.00 0.00 175.26 175.30 2c42 s ASP 396 N 2.16 6.82 -0.06 -1.70 3.68 -1.26 -1.90 116.67 124.41 2c42 s ASP 396 Ca 0.04 -2.49 0.10 0.00 2.13 0.00 0.00 52.55 52.33 2c42 s ASP 396 Cb -0.24 -2.38 0.40 0.00 -1.45 0.00 0.00 42.92 39.26 2c42 s ASP 396 CO -0.00 -0.88 1.24 -0.90 0.13 0.00 0.00 175.17 174.76 2c42 n ASP 397 N 5.89 2.85 -0.08 -0.34 5.75 -1.26 -1.53 116.55 127.83 2c42 n ASP 397 Ca 0.28 -2.24 -0.17 0.00 -0.01 0.00 0.00 54.79 52.64 2c42 n ASP 397 Cb 0.46 -0.43 -0.06 0.00 -1.03 0.00 0.00 41.12 40.06 2c42 n ASP 397 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2c42 n VAL 398 N 0.52 0.92 -0.02 2.12 0.31 -1.26 -4.74 118.33 116.18 2c42 n VAL 398 Ca 0.14 -0.24 0.02 0.00 -0.01 0.00 0.00 64.34 64.25 2c42 n VAL 398 Cb 0.55 -1.67 0.05 0.00 -0.91 0.00 0.00 33.84 31.86 2c42 n VAL 398 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2c42 n THR 399 N -3.68 0.79 -4.14 2.52 -2.24 -1.26 -5.03 114.28 101.24 2c42 n THR 399 Ca -0.33 -0.90 -0.33 0.00 -2.27 0.00 0.00 64.05 60.22 2c42 n THR 399 Cb 0.74 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.57 2c42 n THR 399 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c42 n GLY 400 N -0.03 -0.40 0.30 3.38 0.00 -0.58 -4.89 105.19 102.98 2c42 n GLY 400 Ca 0.04 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2c42 n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c42 n THR 401 N -4.42 0.00 -3.00 2.61 -2.24 -1.25 -4.98 114.28 100.99 2c42 n THR 401 Ca -0.01 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 2c42 n THR 401 Cb 0.54 0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 2c42 n THR 401 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2c42 s SER 402 N -2.62 6.90 0.16 3.42 1.04 -1.26 -0.70 113.70 120.64 2c42 s SER 402 Ca 0.17 1.47 -0.13 0.00 0.48 0.00 0.00 55.95 57.94 2c42 s SER 402 Cb 0.18 -2.45 -0.07 0.00 0.10 0.00 0.00 66.02 63.78 2c42 s SER 402 CO 0.63 -0.22 0.55 -0.76 0.98 0.00 0.00 173.24 174.41 2c42 s LEU 403 N -2.87 4.30 0.32 2.42 1.43 -0.37 -4.87 118.68 119.04 2c42 s LEU 403 Ca 0.55 1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 54.41 2c42 s LEU 403 Cb -0.11 -3.34 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 2c42 s LEU 403 CO 0.17 0.07 1.11 -2.16 0.23 0.00 0.00 176.35 175.76 2c42 s PRO 404 N -2.12 4.46 -0.12 1.29 0.04 -1.26 -4.75 135.00 132.53 2c42 s PRO 404 Ca 0.39 1.77 0.02 0.00 0.04 0.00 0.00 61.00 63.22 2c42 s PRO 404 Cb -0.14 -2.99 0.01 0.00 0.04 0.00 0.00 34.50 31.42 2c42 s PRO 404 CO 0.19 0.06 -0.18 0.08 0.04 0.00 0.00 177.00 177.19 2c42 s VAL 405 N -1.29 1.69 -0.52 -0.36 1.01 -1.26 -4.78 120.40 114.88 2c42 s VAL 405 Ca 0.49 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 2c42 s VAL 405 Cb -0.30 -1.52 0.09 0.00 0.00 0.00 0.00 36.38 34.64 2c42 s VAL 405 CO 0.39 0.48 0.55 -0.62 0.00 0.00 0.00 175.10 175.89 2c42 s ASP 406 N 0.92 6.18 0.00 3.32 3.68 -1.26 -4.91 116.67 124.60 2c42 s ASP 406 Ca -0.07 -1.36 0.06 0.00 2.13 0.00 0.00 52.55 53.31 2c42 s ASP 406 Cb -0.15 -2.24 0.34 0.00 -1.45 0.00 0.00 42.92 39.41 2c42 s ASP 406 CO -0.02 -0.87 0.93 0.59 0.13 0.00 0.00 175.17 175.94 2c42 n ASN 407 N 5.72 0.00 -0.27 -0.34 3.02 -1.26 -2.43 115.26 119.70 2c42 n ASN 407 Ca -0.11 -1.16 0.14 0.00 -0.03 0.00 0.00 54.58 53.42 2c42 n ASN 407 Cb 0.43 0.00 0.55 0.00 -0.61 0.00 0.00 39.78 40.15 2c42 n ASN 407 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c42 n ALA 408 N -0.63 2.77 -1.65 5.41 0.00 -1.26 -4.90 120.51 120.25 2c42 n ALA 408 Ca 0.04 -0.36 -0.46 0.00 0.00 0.00 0.00 53.44 52.66 2c42 n ALA 408 Cb 0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 2c42 n ALA 408 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2c42 n PHE 409 N -0.47 1.96 -1.33 0.00 -0.00 -1.02 -4.91 117.46 111.69 2c42 n PHE 409 Ca 0.16 0.48 -0.34 0.00 -0.00 0.00 0.00 57.45 57.75 2c42 n PHE 409 Cb 0.31 -2.42 0.10 0.00 -0.00 0.00 0.00 39.48 37.47 2c42 n PHE 409 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c42 s ALA 410 N 0.03 2.04 0.25 3.13 0.00 -1.26 -4.94 121.76 121.01 2c42 s ALA 410 Ca 0.71 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 2c42 s ALA 410 Cb -0.71 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 18.85 2c42 s ALA 410 CO 0.49 -2.00 1.46 0.34 0.00 0.00 0.00 175.76 176.05 2c42 s ASP 411 N -2.15 6.62 0.00 0.00 -1.08 -1.26 -4.93 116.67 113.87 2c42 s ASP 411 Ca 0.73 2.70 0.11 0.00 -0.52 0.00 0.00 52.55 55.56 2c42 s ASP 411 Cb -0.28 -2.62 0.26 0.00 -1.46 0.00 0.00 42.92 38.81 2c42 s ASP 411 CO 0.47 -0.73 1.17 0.35 0.52 0.00 0.00 175.17 176.96 2c42 n THR 412 N 2.32 0.81 -1.51 1.71 -2.24 -1.26 -5.02 114.28 109.09 2c42 n THR 412 Ca 0.07 -0.90 -0.33 0.00 -2.27 0.00 0.00 64.05 60.61 2c42 n THR 412 Cb 0.40 0.64 0.08 0.00 -2.10 0.00 0.00 70.33 69.35 2c42 n THR 412 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2c42 s THR 413 N -0.98 2.69 0.70 4.28 -4.23 -1.26 -4.81 115.64 112.03 2c42 s THR 413 Ca 0.21 0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 60.87 2c42 s THR 413 Cb 0.11 -2.83 0.02 0.00 1.34 0.00 0.00 72.50 71.14 2c42 s THR 413 CO 0.15 -0.20 1.25 -2.65 -0.54 0.00 0.00 174.62 172.63 2c42 n PRO 414 N -2.72 0.79 -1.72 3.99 -0.02 -1.26 -4.90 135.00 129.16 2c42 n PRO 414 Ca 0.12 0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 2c42 n PRO 414 Cb 0.51 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 2c42 n PRO 414 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2c42 n LYS 415 N -2.32 2.52 -0.04 -0.52 4.81 -1.26 -2.09 118.16 119.26 2c42 n LYS 415 Ca 0.15 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.49 2c42 n LYS 415 Cb 0.49 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.89 2c42 n LYS 415 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2c42 n GLY 416 N 2.22 0.58 3.72 3.14 0.00 -1.26 -4.74 105.19 108.84 2c42 n GLY 416 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2c42 n GLY 416 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c42 s THR 417 N -2.23 4.10 -0.17 2.61 2.01 -0.89 -4.52 115.64 116.55 2c42 s THR 417 Ca 0.00 1.65 -0.04 0.00 0.31 0.00 0.00 61.69 63.61 2c42 s THR 417 Cb 0.00 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2c42 s THR 417 CO 0.00 0.21 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.48 2c42 s ILE 418 N 0.40 3.90 -0.11 1.82 1.01 0.43 -4.96 121.20 123.69 2c42 s ILE 418 Ca 0.53 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.84 2c42 s ILE 418 Cb -0.28 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 2c42 s ILE 418 CO 0.32 0.48 -0.15 -1.10 0.00 0.00 0.00 174.94 174.48 2c42 s GLN 419 N 0.54 3.19 0.07 2.79 -0.21 -1.26 -1.53 119.66 123.25 2c42 s GLN 419 Ca -0.02 -0.71 0.07 0.00 0.02 0.00 0.00 55.36 54.71 2c42 s GLN 419 Cb -0.14 -2.54 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 2c42 s GLN 419 CO 0.03 0.28 -0.19 0.00 -2.12 0.00 0.00 175.29 173.29 2c42 s GLN 421 N -1.53 1.47 -0.10 0.00 -0.21 -0.25 -1.42 119.66 117.63 2c42 s GLN 421 Ca 0.05 -0.41 0.03 0.00 0.02 0.00 0.00 55.36 55.04 2c42 s GLN 421 Cb -0.09 -1.27 0.01 0.00 1.00 0.00 0.00 33.01 32.66 2c42 s GLN 421 CO 0.03 0.09 -0.18 -0.06 -2.12 0.00 0.00 175.29 173.05 2c42 s PHE 422 N 0.41 2.14 -0.41 0.91 0.40 -0.52 -1.13 117.98 119.79 2c42 s PHE 422 Ca -0.09 -0.95 -0.12 0.00 -0.60 0.00 0.00 56.93 55.16 2c42 s PHE 422 Cb -0.13 -1.50 0.04 0.00 0.51 0.00 0.00 43.02 41.95 2c42 s PHE 422 CO 0.02 -0.45 0.27 -1.58 0.70 0.00 0.00 175.22 174.19 2c42 s TRP 423 N 0.73 3.26 0.39 0.36 0.52 0.54 -0.63 118.94 124.11 2c42 s TRP 423 Ca -0.11 -0.95 0.08 0.00 0.02 0.00 0.00 56.10 55.13 2c42 s TRP 423 Cb -0.16 -2.67 -0.07 0.00 -1.15 0.00 0.00 33.47 29.42 2c42 s TRP 423 CO 0.02 -0.69 0.04 0.20 0.02 0.00 0.00 176.95 176.54 2c42 s GLY 424 N 1.84 2.33 -0.14 0.98 0.00 0.68 -0.52 107.32 112.49 2c42 s GLY 424 Ca 0.03 -2.16 -0.05 0.00 0.00 0.00 0.00 44.72 42.55 2c42 s GLY 424 CO 0.07 -2.00 0.04 -2.27 0.00 0.00 0.00 173.10 168.94 2c42 s LEU 425 N -3.74 3.77 0.12 0.66 2.96 -1.26 -1.45 118.68 119.74 2c42 s LEU 425 Ca 0.36 0.15 -0.34 0.00 -0.22 0.00 0.00 54.13 54.08 2c42 s LEU 425 Cb 0.05 -1.91 -0.17 0.00 0.50 0.00 0.00 46.19 44.66 2c42 s LEU 425 CO 0.19 0.29 1.07 0.61 -1.32 0.00 0.00 176.35 177.19 2c42 n GLY 426 N 2.78 -0.23 2.44 7.98 0.00 0.13 -1.27 105.19 117.04 2c42 n GLY 426 Ca -0.18 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2c42 n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 n ALA 427 N 1.41 0.00 1.08 4.61 0.00 -1.26 -4.68 120.51 121.67 2c42 n ALA 427 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.69 2c42 n ALA 427 Cb 0.20 -0.63 0.27 0.00 0.00 0.00 0.00 19.45 19.29 2c42 n ALA 427 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2c42 n ASP 428 N -0.41 1.72 0.00 0.00 5.68 -0.39 -4.93 116.55 118.21 2c42 n ASP 428 Ca 0.00 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 2c42 n ASP 428 Cb 0.21 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2c42 n ASP 428 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c42 n GLY 429 N 1.08 1.08 0.19 6.12 0.00 -1.26 -4.11 105.19 108.28 2c42 n GLY 429 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 2c42 n GLY 429 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2c42 h THR 430 N 0.00 0.63 -0.55 2.61 2.02 -1.91 -0.61 112.91 115.10 2c42 h THR 430 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2c42 h THR 430 Cb 0.00 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 2c42 h THR 430 CO 0.00 0.00 0.34 0.58 0.37 0.00 0.00 175.52 176.81 2c42 h VAL 431 N -0.20 1.08 -0.85 3.16 2.07 -1.95 0.18 116.25 119.75 2c42 h VAL 431 Ca 0.07 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2c42 h VAL 431 Cb 0.30 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2c42 h VAL 431 CO -0.20 0.13 0.54 1.23 0.02 0.00 0.00 177.57 179.29 2c42 h GLY 432 N 0.69 1.21 0.98 2.17 0.00 -1.90 0.25 103.07 106.46 2c42 h GLY 432 Ca 0.22 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 2c42 h GLY 432 CO -0.08 0.46 0.01 0.00 0.00 0.00 0.00 176.54 176.93 2c42 h ALA 433 N 1.30 0.60 -0.45 3.60 0.00 -0.57 -1.45 119.26 122.29 2c42 h ALA 433 Ca 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2c42 h ALA 433 Cb -0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2c42 h ALA 433 CO -0.06 0.39 0.26 -0.91 0.00 0.00 0.00 179.25 178.93 2c42 h ASN 434 N 0.63 0.56 -0.66 0.00 2.35 -0.53 0.31 115.58 118.25 2c42 h ASN 434 Ca 0.13 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2c42 h ASN 434 Cb 0.48 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2c42 h ASN 434 CO 0.02 0.48 0.42 0.11 -1.65 0.00 0.00 177.43 176.81 2c42 h LYS 435 N 0.60 0.88 -0.31 0.81 1.57 -0.79 -0.85 116.57 118.48 2c42 h LYS 435 Ca 0.16 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 2c42 h LYS 435 Cb 0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2c42 h LYS 435 CO -0.03 0.60 -0.43 1.96 -0.57 0.00 0.00 179.45 180.98 2c42 h GLN 436 N 0.90 0.78 -0.58 3.15 1.08 -0.65 -2.52 115.11 117.28 2c42 h GLN 436 Ca 0.24 -0.42 -0.03 0.00 -1.45 0.00 0.00 58.65 56.99 2c42 h GLN 436 Cb -0.08 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 2c42 h GLN 436 CO -0.05 1.05 0.26 0.00 -0.95 0.00 0.00 178.83 179.14 2c42 h ALA 437 N 0.89 0.74 -0.47 3.87 0.00 -0.14 0.61 119.26 124.76 2c42 h ALA 437 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2c42 h ALA 437 Cb 0.99 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2c42 h ALA 437 CO 0.09 0.33 0.31 0.82 0.00 0.00 0.00 179.25 180.80 2c42 h ILE 438 N 0.79 1.12 0.03 0.00 2.04 -1.11 -1.50 117.51 118.88 2c42 h ILE 438 Ca 0.19 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2c42 h ILE 438 Cb 0.16 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2c42 h ILE 438 CO -0.02 0.12 -0.01 0.50 0.00 0.00 0.00 178.15 178.73 2c42 h LYS 439 N 0.63 -0.04 -0.28 2.37 3.64 -1.17 0.16 116.57 121.89 2c42 h LYS 439 Ca 0.17 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 2c42 h LYS 439 Cb -0.07 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 2c42 h LYS 439 CO -0.04 0.24 -0.08 0.82 -2.27 0.00 0.00 179.45 178.12 2c42 h ILE 440 N -0.32 0.69 -0.04 2.00 2.04 -0.76 0.42 117.51 121.54 2c42 h ILE 440 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2c42 h ILE 440 Cb 0.30 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2c42 h ILE 440 CO 0.01 0.00 -0.09 0.40 0.00 0.00 0.00 178.15 178.47 2c42 h ILE 441 N -0.02 1.43 -0.83 -0.67 2.04 -1.30 -2.57 117.51 115.59 2c42 h ILE 441 Ca 0.14 -1.41 0.02 0.00 1.00 0.00 0.00 64.86 64.60 2c42 h ILE 441 Cb 0.23 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 2c42 h ILE 441 CO -0.30 0.38 0.55 1.23 0.00 0.00 0.00 178.15 180.01 2c42 h GLY 442 N -0.38 1.16 0.99 5.37 0.00 -0.84 -1.53 103.07 107.84 2c42 h GLY 442 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2c42 h GLY 442 CO 0.02 0.40 -0.30 1.22 0.00 0.00 0.00 176.54 177.88 2c42 n ASP 443 N -4.42 0.52 0.00 0.19 10.43 0.13 -4.13 116.55 119.27 2c42 n ASP 443 Ca 0.10 -0.32 0.00 0.00 2.57 0.00 0.00 54.79 57.13 2c42 n ASP 443 Cb 0.05 0.04 0.00 0.00 1.84 0.00 0.00 41.12 43.06 2c42 n ASP 443 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2c42 n ASN 444 N -1.22 1.31 -3.83 -2.24 3.02 -0.97 -5.06 115.26 106.27 2c42 n ASN 444 Ca 0.09 -1.48 -0.14 0.00 -0.03 0.00 0.00 54.58 53.02 2c42 n ASN 444 Cb 0.33 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.42 2c42 n ASN 444 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2c42 s THR 445 N -0.48 0.00 -2.12 3.41 -4.23 -0.60 -5.03 115.64 106.59 2c42 s THR 445 Ca 0.00 -1.88 0.16 0.00 -1.18 0.00 0.00 61.69 58.79 2c42 s THR 445 Cb 0.00 -2.48 0.40 0.00 1.34 0.00 0.00 72.50 71.76 2c42 s THR 445 CO 0.00 0.00 1.39 0.47 -0.54 0.00 0.00 174.62 175.94 2c42 n ASP 446 N -0.77 2.17 -4.81 3.99 10.43 -1.26 -4.79 116.55 121.50 2c42 n ASP 446 Ca 0.03 -1.91 -0.33 0.00 2.57 0.00 0.00 54.79 55.15 2c42 n ASP 446 Cb 0.64 -0.23 -0.05 0.00 1.84 0.00 0.00 41.12 43.32 2c42 n ASP 446 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2c42 s LEU 447 N -1.21 3.85 0.21 0.64 1.43 -1.26 -4.91 118.68 117.42 2c42 s LEU 447 Ca 0.30 1.76 -0.10 0.00 -1.03 0.00 0.00 54.13 55.07 2c42 s LEU 447 Cb 0.16 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.77 2c42 s LEU 447 CO 0.22 -0.57 0.53 -0.36 0.23 0.00 0.00 176.35 176.40 2c42 s PHE 448 N -2.18 3.46 0.01 0.29 0.40 0.83 -4.65 117.98 116.13 2c42 s PHE 448 Ca 0.64 0.88 0.00 0.00 -0.60 0.00 0.00 56.93 57.85 2c42 s PHE 448 Cb -0.12 -2.26 -0.01 0.00 0.51 0.00 0.00 43.02 41.15 2c42 s PHE 448 CO 0.19 0.31 -0.02 0.00 0.70 0.00 0.00 175.22 176.40 2c42 s ALA 449 N -1.74 0.11 0.01 5.36 0.00 -1.26 -1.64 121.76 122.60 2c42 s ALA 449 Ca 0.45 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.21 2c42 s ALA 449 Cb -0.12 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2c42 s ALA 449 CO 0.21 -0.03 -0.04 -1.14 0.00 0.00 0.00 175.76 174.77 2c42 s GLN 450 N -0.46 0.28 -0.01 0.00 0.74 0.18 -2.91 119.66 117.49 2c42 s GLN 450 Ca -0.04 -0.24 -0.01 0.00 0.05 0.00 0.00 55.36 55.12 2c42 s GLN 450 Cb -0.03 -0.20 0.00 0.00 1.10 0.00 0.00 33.01 33.88 2c42 s GLN 450 CO -0.00 0.05 0.02 0.20 -0.55 0.00 0.00 175.29 175.01 2c42 s GLY 451 N -0.41 -0.01 -0.10 2.59 0.00 -0.54 -1.43 107.32 107.41 2c42 s GLY 451 Ca -0.02 0.05 -0.08 0.00 0.00 0.00 0.00 44.72 44.67 2c42 s GLY 451 CO -0.00 0.04 0.26 -0.47 0.00 0.00 0.00 173.10 172.93 2c42 s TYR 452 N -0.03 -0.31 -0.04 1.90 5.04 -0.12 -0.62 117.35 123.17 2c42 s TYR 452 Ca -0.00 0.75 0.05 0.00 -2.44 0.00 0.00 57.07 55.43 2c42 s TYR 452 Cb -0.00 0.09 -0.01 0.00 0.35 0.00 0.00 41.96 42.38 2c42 s TYR 452 CO 0.00 -0.18 -0.20 -0.06 -1.34 0.00 0.00 175.55 173.77 2c42 s PHE 453 N 0.56 1.93 -0.19 4.97 0.40 -1.26 -0.06 117.98 124.32 2c42 s PHE 453 Ca -0.03 -0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 55.76 2c42 s PHE 453 Cb -0.05 -1.27 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 2c42 s PHE 453 CO -0.03 -0.13 -0.05 -1.54 0.70 0.00 0.00 175.22 174.17 2c42 s SER 454 N -0.19 4.40 0.32 1.36 1.04 -0.55 -5.00 113.70 115.09 2c42 s SER 454 Ca 0.00 -0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.19 2c42 s SER 454 Cb -0.11 -1.74 -0.03 0.00 0.10 0.00 0.00 66.02 64.24 2c42 s SER 454 CO 0.02 0.05 0.24 -0.31 0.98 0.00 0.00 173.24 174.22 2c42 s TYR 455 N 1.05 2.89 0.50 5.02 1.51 -1.26 -1.41 117.35 125.65 2c42 s TYR 455 Ca 0.01 -0.28 -0.06 0.00 -1.01 0.00 0.00 57.07 55.73 2c42 s TYR 455 Cb -0.15 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 2c42 s TYR 455 CO 0.00 0.28 0.82 0.34 -1.11 0.00 0.00 175.55 175.88 2c42 s ASP 456 N -3.93 6.25 0.28 2.29 3.68 -0.90 -4.98 116.67 119.35 2c42 s ASP 456 Ca 0.39 0.99 0.21 0.00 2.13 0.00 0.00 52.55 56.26 2c42 s ASP 456 Cb -0.06 -2.27 0.11 0.00 -1.45 0.00 0.00 42.92 39.26 2c42 s ASP 456 CO 0.25 -0.63 1.28 0.28 0.13 0.00 0.00 175.17 176.49 2c42 h SER 457 N 0.14 0.00 -2.83 -0.34 0.02 -1.97 -3.45 113.55 105.12 2c42 h SER 457 Ca -0.46 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 59.94 2c42 h SER 457 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2c42 h SER 457 CO 0.62 0.16 0.90 -0.54 -1.14 0.00 0.00 176.83 176.83 2c42 s LYS 458 N -3.18 4.25 0.39 3.45 -0.14 -1.26 -4.91 119.74 118.33 2c42 s LYS 458 Ca 0.03 2.00 0.18 0.00 -1.36 0.00 0.00 55.97 56.81 2c42 s LYS 458 Cb 0.07 -3.68 0.78 0.00 -1.68 0.00 0.00 37.83 33.32 2c42 s LYS 458 CO 0.74 -0.66 1.79 0.87 -0.76 0.00 0.00 175.35 177.34 2c42 h LYS 459 N 8.26 0.00 -5.74 1.68 1.57 -1.63 -3.37 116.57 117.33 2c42 h LYS 459 Ca -0.37 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.86 2c42 h LYS 459 Cb 1.17 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.20 2c42 h LYS 459 CO 0.92 0.35 -0.83 -1.12 -0.57 0.00 0.00 179.45 178.20 2c42 s SER 460 N -6.53 2.13 -1.78 0.86 0.01 -1.26 -4.76 113.70 102.36 2c42 s SER 460 Ca -0.01 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.88 2c42 s SER 460 Cb 0.12 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2c42 s SER 460 CO 0.68 0.19 0.01 0.61 0.41 0.00 0.00 173.24 175.15 2c42 n GLY 461 N 2.44 -0.50 3.92 3.44 0.00 -1.26 -4.98 105.19 108.25 2c42 n GLY 461 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 2c42 n GLY 461 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c42 s GLY 462 N -2.06 1.66 -0.12 -0.02 0.00 -1.26 -4.69 107.32 100.82 2c42 s GLY 462 Ca 0.01 -0.86 -0.07 0.00 0.00 0.00 0.00 44.72 43.79 2c42 s GLY 462 CO 0.01 -0.34 0.15 -0.42 0.00 0.00 0.00 173.10 172.49 2c42 s ILE 463 N -3.53 5.50 -0.03 0.90 1.01 -1.26 0.22 121.20 124.00 2c42 s ILE 463 Ca 0.64 0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.55 2c42 s ILE 463 Cb -0.09 -3.41 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 2c42 s ILE 463 CO 0.48 0.61 -0.15 0.42 0.00 0.00 0.00 174.94 176.30 2c42 s THR 464 N -0.98 1.26 -0.19 2.92 -4.23 -0.53 -2.13 115.64 111.77 2c42 s THR 464 Ca 0.15 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 60.03 2c42 s THR 464 Cb -0.12 -1.08 0.04 0.00 1.34 0.00 0.00 72.50 72.67 2c42 s THR 464 CO 0.04 0.37 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.73 2c42 s ILE 465 N -0.01 1.75 -0.03 2.99 1.01 -0.50 -0.23 121.20 126.19 2c42 s ILE 465 Ca -0.02 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 2c42 s ILE 465 Cb -0.10 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 2c42 s ILE 465 CO 0.01 0.29 0.35 -0.44 0.00 0.00 0.00 174.94 175.15 2c42 s SER 466 N 1.37 6.72 -0.26 3.58 0.01 0.20 -1.48 113.70 123.84 2c42 s SER 466 Ca 0.01 0.86 0.03 0.00 1.31 0.00 0.00 55.95 58.16 2c42 s SER 466 Cb -0.15 -2.21 0.06 0.00 0.21 0.00 0.00 66.02 63.93 2c42 s SER 466 CO -0.09 0.34 -0.09 -1.00 0.41 0.00 0.00 173.24 172.80 2c42 s HIS 467 N -1.04 3.16 0.04 2.43 3.76 0.91 -1.44 115.29 123.10 2c42 s HIS 467 Ca 0.22 -2.28 0.08 0.00 -0.15 0.00 0.00 55.06 52.93 2c42 s HIS 467 Cb -0.16 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.57 2c42 s HIS 467 CO 0.11 -0.87 -0.24 -0.51 -0.85 0.00 0.00 174.74 172.38 2c42 s LEU 468 N 1.14 2.15 0.02 0.89 1.02 -0.50 -0.95 118.68 122.44 2c42 s LEU 468 Ca -0.07 -0.55 0.01 0.00 0.02 0.00 0.00 54.13 53.54 2c42 s LEU 468 Cb -0.20 -1.18 -0.01 0.00 0.02 0.00 0.00 46.19 44.82 2c42 s LEU 468 CO -0.05 0.23 -0.05 -0.13 0.02 0.00 0.00 176.35 176.37 2c42 s ARG 469 N -1.12 0.35 0.01 1.70 0.52 -0.51 0.09 118.95 119.98 2c42 s ARG 469 Ca 0.10 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2c42 s ARG 469 Cb -0.09 -0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.19 2c42 s ARG 469 CO 0.02 0.03 -0.02 -0.06 0.02 0.00 0.00 175.30 175.29 2c42 s PHE 470 N -0.82 0.14 0.11 -0.53 0.40 -0.58 -0.64 117.98 116.06 2c42 s PHE 470 Ca -0.06 -0.19 -0.26 0.00 -0.60 0.00 0.00 56.93 55.82 2c42 s PHE 470 Cb -0.06 -0.10 0.07 0.00 0.51 0.00 0.00 43.02 43.45 2c42 s PHE 470 CO -0.00 -0.06 0.95 0.20 0.70 0.00 0.00 175.22 177.01 2c42 s GLY 471 N -0.51 -0.29 0.27 4.36 0.00 -0.65 -0.42 107.32 110.06 2c42 s GLY 471 Ca -0.05 0.36 0.14 0.00 0.00 0.00 0.00 44.72 45.16 2c42 s GLY 471 CO -0.00 0.09 1.50 0.83 0.00 0.00 0.00 173.10 175.51 2c42 h GLU 472 N 2.00 0.00 -6.17 2.90 4.39 -1.85 0.24 114.58 116.08 2c42 h GLU 472 Ca -0.24 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 58.92 2c42 h GLU 472 Cb 1.23 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.83 2c42 h GLU 472 CO 0.27 0.60 -0.53 0.15 -1.16 0.00 0.00 179.01 178.34 2c42 s LYS 473 N -3.14 3.02 0.46 2.33 -0.14 -1.26 -4.74 119.74 116.27 2c42 s LYS 473 Ca 0.02 -0.87 -0.24 0.00 -1.36 0.00 0.00 55.97 53.52 2c42 s LYS 473 Cb 0.10 -2.69 -0.09 0.00 -1.68 0.00 0.00 37.83 33.47 2c42 s LYS 473 CO 0.75 0.46 1.16 -2.30 -0.76 0.00 0.00 175.35 174.66 2c42 n PRO 474 N -0.67 1.58 -3.50 -1.68 -0.02 -1.26 -4.70 135.00 124.75 2c42 n PRO 474 Ca -0.08 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 2c42 n PRO 474 Cb 0.56 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 2c42 n PRO 474 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2c42 s ILE 475 N -1.28 5.07 -0.81 4.25 1.01 -1.26 -4.89 121.20 123.29 2c42 s ILE 475 Ca 0.65 -0.69 0.16 0.00 0.00 0.00 0.00 60.65 60.77 2c42 s ILE 475 Cb -0.50 -3.81 0.57 0.00 0.01 0.00 0.00 42.46 38.73 2c42 s ILE 475 CO 0.55 -0.27 1.49 0.00 0.00 0.00 0.00 174.94 176.70 2c42 n GLN 476 N 5.11 3.35 -2.16 2.79 6.02 -1.26 -4.88 117.38 126.34 2c42 n GLN 476 Ca -0.11 -2.67 -0.41 0.00 -0.01 0.00 0.00 57.00 53.79 2c42 n GLN 476 Cb 0.47 -1.73 -0.01 0.00 1.02 0.00 0.00 30.24 29.99 2c42 n GLN 476 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2c42 n SER 477 N 0.54 4.28 -3.51 1.08 7.64 -1.26 -2.89 113.62 119.51 2c42 n SER 477 Ca 0.21 -2.86 -0.40 0.00 1.01 0.00 0.00 58.87 56.83 2c42 n SER 477 Cb 0.78 -1.68 -0.01 0.00 -1.01 0.00 0.00 64.21 62.29 2c42 n SER 477 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2c42 n THR 478 N 6.05 4.47 -3.49 0.44 -2.24 -1.26 -4.77 114.28 113.47 2c42 n THR 478 Ca 0.50 -3.44 -0.10 0.00 -2.27 0.00 0.00 64.05 58.74 2c42 n THR 478 Cb 0.43 -2.42 -0.02 0.00 -2.10 0.00 0.00 70.33 66.23 2c42 n THR 478 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2c42 s TYR 479 N 1.07 -0.43 0.78 4.78 -0.85 -1.26 -4.77 117.35 116.66 2c42 s TYR 479 Ca 0.57 0.24 -0.12 0.00 -0.52 0.00 0.00 57.07 57.23 2c42 s TYR 479 Cb 0.16 0.56 0.06 0.00 0.38 0.00 0.00 41.96 43.13 2c42 s TYR 479 CO -0.07 -0.75 1.13 -0.51 -1.52 0.00 0.00 175.55 173.84 2c42 s LEU 480 N -2.66 3.12 0.09 -3.49 1.43 -1.26 -4.96 118.68 110.95 2c42 s LEU 480 Ca 0.03 2.06 -0.31 0.00 -1.03 0.00 0.00 54.13 54.89 2c42 s LEU 480 Cb -0.01 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.59 2c42 s LEU 480 CO -0.10 -2.27 1.23 -0.69 0.23 0.00 0.00 176.35 174.76 2c42 s VAL 481 N -2.54 3.83 0.00 -1.59 1.01 -1.26 -4.87 120.40 114.98 2c42 s VAL 481 Ca 0.66 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.99 2c42 s VAL 481 Cb -0.22 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2c42 s VAL 481 CO 0.51 0.12 0.00 -0.46 0.00 0.00 0.00 175.10 175.27 2c42 n ASN 482 N 3.74 0.11 -3.52 3.32 0.23 -1.26 -4.88 115.26 112.99 2c42 n ASN 482 Ca 0.09 -0.38 -0.29 0.00 -0.53 0.00 0.00 54.58 53.46 2c42 n ASN 482 Cb 0.45 0.79 -0.12 0.00 -2.08 0.00 0.00 39.78 38.82 2c42 n ASN 482 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2c42 s ARG 483 N -0.81 0.76 0.22 -3.83 0.52 -1.26 -4.36 118.95 110.20 2c42 s ARG 483 Ca 0.00 -1.55 -0.10 0.00 -0.52 0.00 0.00 55.73 53.56 2c42 s ARG 483 Cb 0.00 -1.58 -0.07 0.00 0.52 0.00 0.00 34.95 33.82 2c42 s ARG 483 CO 0.00 -1.21 0.55 0.00 0.02 0.00 0.00 175.30 174.67 2c42 s ALA 484 N 0.83 3.56 -0.11 2.13 0.00 -1.25 -4.77 121.76 122.15 2c42 s ALA 484 Ca 0.19 -0.25 0.16 0.00 0.00 0.00 0.00 51.96 52.06 2c42 s ALA 484 Cb -0.22 -2.45 -0.18 0.00 0.00 0.00 0.00 23.12 20.27 2c42 s ALA 484 CO -0.00 0.50 0.70 -0.25 0.00 0.00 0.00 175.76 176.70 2c42 n ASP 485 N -0.04 0.73 -3.81 0.00 9.92 0.70 -1.20 116.55 122.85 2c42 n ASP 485 Ca -0.00 0.33 -0.18 0.00 -0.53 0.00 0.00 54.79 54.41 2c42 n ASP 485 Cb 0.52 0.30 -0.16 0.00 -0.64 0.00 0.00 41.12 41.14 2c42 n ASP 485 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2c42 s TYR 486 N -2.85 0.32 -0.07 1.24 5.04 -0.99 -0.91 117.35 119.14 2c42 s TYR 486 Ca -0.04 0.00 0.01 0.00 -2.44 0.00 0.00 57.07 54.60 2c42 s TYR 486 Cb 0.09 -0.44 0.02 0.00 0.35 0.00 0.00 41.96 41.98 2c42 s TYR 486 CO 0.82 -0.15 -0.06 0.08 -1.34 0.00 0.00 175.55 174.91 2c42 s VAL 487 N 1.15 0.74 -0.08 3.14 1.01 0.01 -1.09 120.40 125.28 2c42 s VAL 487 Ca -0.08 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.76 2c42 s VAL 487 Cb -0.13 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 2c42 s VAL 487 CO -0.02 0.29 -0.24 0.00 0.00 0.00 0.00 175.10 175.14 2c42 s ALA 488 N 1.24 2.10 -0.39 5.51 0.00 -0.29 -0.82 121.76 129.12 2c42 s ALA 488 Ca -0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 2c42 s ALA 488 Cb -0.14 -0.74 0.08 0.00 0.00 0.00 0.00 23.12 22.32 2c42 s ALA 488 CO -0.02 0.33 0.19 0.00 0.00 0.00 0.00 175.76 176.25 2c42 n HIS 490 N 4.77 0.00 -3.90 0.00 8.25 0.32 -1.71 115.22 122.95 2c42 n HIS 490 Ca -0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.08 2c42 n HIS 490 Cb 0.43 -0.26 -0.16 0.00 1.12 0.00 0.00 29.99 31.12 2c42 n HIS 490 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2c42 s ASN 491 N -2.61 3.41 0.54 0.41 3.84 -1.25 -4.78 114.94 114.50 2c42 s ASN 491 Ca 0.26 -0.97 0.25 0.00 0.21 0.00 0.00 52.86 52.61 2c42 s ASN 491 Cb 0.20 -1.02 1.42 0.00 -0.55 0.00 0.00 41.25 41.30 2c42 s ASN 491 CO 0.49 -0.23 2.03 1.55 -2.79 0.00 0.00 177.10 178.15 2c42 h PRO 492 N 8.04 0.00 0.00 0.43 0.13 -1.81 -1.82 132.00 136.97 2c42 h PRO 492 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2c42 h PRO 492 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2c42 h PRO 492 CO 0.40 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.17 2c42 h ALA 493 N 1.76 1.00 -0.01 -0.56 0.00 -1.95 -2.87 119.26 116.63 2c42 h ALA 493 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2c42 h ALA 493 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2c42 h ALA 493 CO -0.00 0.00 -0.71 1.88 0.00 0.00 0.00 179.25 180.42 2c42 h TYR 494 N 0.00 0.07 -0.75 0.00 0.99 -1.74 -3.29 116.97 112.24 2c42 h TYR 494 Ca 0.00 -0.03 0.15 0.00 2.00 0.00 0.00 58.73 60.85 2c42 h TYR 494 Cb 0.16 -0.01 -0.05 0.00 1.00 0.00 0.00 36.73 37.83 2c42 h TYR 494 CO 0.00 0.74 0.50 -0.39 -0.00 0.00 0.00 178.16 179.01 2c42 h VAL 495 N 0.03 0.80 -0.01 -2.88 -1.51 -1.70 -0.79 116.25 110.19 2c42 h VAL 495 Ca -0.01 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2c42 h VAL 495 Cb 1.25 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 2c42 h VAL 495 CO 0.10 0.08 -0.12 0.61 -1.23 0.00 0.00 177.57 177.00 2c42 n GLY 496 N -1.52 -0.58 0.00 5.19 0.00 -1.24 -4.50 105.19 102.54 2c42 n GLY 496 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2c42 n GLY 496 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2c42 n ILE 497 N -0.55 0.00 -4.22 -0.61 -5.35 -0.46 -5.09 119.36 103.09 2c42 n ILE 497 Ca 0.16 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.36 2c42 n ILE 497 Cb 0.31 -0.58 -0.09 0.00 -1.74 0.00 0.00 39.64 37.55 2c42 n ILE 497 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2c42 s TYR 498 N -1.77 2.79 -1.41 4.28 1.51 -0.43 -4.99 117.35 117.33 2c42 s TYR 498 Ca 0.00 -0.15 -0.15 0.00 -1.01 0.00 0.00 57.07 55.77 2c42 s TYR 498 Cb 0.00 -1.39 0.05 0.00 -0.11 0.00 0.00 41.96 40.51 2c42 s TYR 498 CO 0.00 0.49 2.08 -3.47 -1.11 0.00 0.00 175.55 173.54 2c42 n ASP 499 N 0.20 4.20 0.26 2.29 2.03 -1.26 -4.72 116.55 119.55 2c42 n ASP 499 Ca -0.11 -2.87 0.12 0.00 0.52 0.00 0.00 54.79 52.45 2c42 n ASP 499 Cb 0.54 -1.68 0.70 0.00 -0.72 0.00 0.00 41.12 39.96 2c42 n ASP 499 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2c42 h ILE 500 N 4.41 0.55 -0.62 5.18 3.07 -1.92 -2.94 117.51 125.25 2c42 h ILE 500 Ca 0.53 -0.60 0.00 0.00 1.55 0.00 0.00 64.86 66.34 2c42 h ILE 500 Cb 0.70 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 2c42 h ILE 500 CO 1.76 0.13 0.00 0.18 -1.05 0.00 0.00 178.15 179.17 2c42 n LEU 501 N -3.60 3.36 -4.68 0.16 4.77 -1.26 -4.96 117.00 110.79 2c42 n LEU 501 Ca -0.02 -1.67 -0.53 0.00 -0.03 0.00 0.00 56.01 53.77 2c42 n LEU 501 Cb 0.26 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 2c42 n LEU 501 CO 0.30 0.83 1.32 1.21 -1.33 0.00 0.00 177.39 179.73 2c42 n GLU 502 N 1.34 1.57 -0.66 3.23 2.13 -1.11 -2.03 120.64 125.11 2c42 n GLU 502 Ca 0.21 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.60 2c42 n GLU 502 Cb 0.53 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.93 2c42 n GLU 502 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c42 n GLY 503 N 4.01 0.84 3.67 8.31 0.00 -1.26 -4.82 105.19 115.94 2c42 n GLY 503 Ca 0.24 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 2c42 n GLY 503 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2c42 n ILE 504 N -2.00 1.28 -1.90 -0.61 3.06 -0.86 -3.81 119.36 114.51 2c42 n ILE 504 Ca 0.00 -0.32 -0.36 0.00 -2.50 0.00 0.00 62.75 59.58 2c42 n ILE 504 Cb 0.00 -1.48 0.04 0.00 0.54 0.00 0.00 39.64 38.74 2c42 n ILE 504 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2c42 s LYS 505 N -0.85 2.82 0.28 9.51 1.02 -0.34 -4.87 119.74 127.31 2c42 s LYS 505 Ca 0.64 1.80 -0.30 0.00 0.02 0.00 0.00 55.97 58.13 2c42 s LYS 505 Cb -0.63 -1.91 -0.11 0.00 -0.52 0.00 0.00 37.83 34.66 2c42 s LYS 505 CO 0.53 -1.32 1.59 -0.51 -0.92 0.00 0.00 175.35 174.73 2c42 s ASP 506 N -1.70 6.40 0.00 2.83 -0.00 -1.26 -0.77 116.67 122.16 2c42 s ASP 506 Ca 0.77 2.91 0.00 0.00 -0.00 0.00 0.00 52.55 56.23 2c42 s ASP 506 Cb -0.30 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 39.99 2c42 s ASP 506 CO 0.36 -0.90 0.00 0.61 -0.00 0.00 0.00 175.17 175.24 2c42 n GLY 507 N 2.31 0.46 3.57 0.21 0.00 0.12 -5.01 105.19 106.86 2c42 n GLY 507 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2c42 n GLY 507 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c42 s GLY 508 N -2.00 1.56 -0.14 -0.02 0.00 0.05 -4.43 107.32 102.33 2c42 s GLY 508 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 44.72 43.89 2c42 s GLY 508 CO 0.00 0.04 -0.07 -1.59 0.00 0.00 0.00 173.10 171.49 2c42 s THR 509 N -2.90 3.63 -0.17 0.90 2.01 -0.09 -0.88 115.64 118.15 2c42 s THR 509 Ca 0.70 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.25 2c42 s THR 509 Cb -0.12 -2.57 0.03 0.00 0.01 0.00 0.00 72.50 69.85 2c42 s THR 509 CO 0.57 0.51 -0.14 0.12 -0.69 0.00 0.00 174.62 174.98 2c42 s PHE 510 N 0.32 2.40 -0.15 4.92 5.36 -0.57 -0.81 117.98 129.44 2c42 s PHE 510 Ca -0.06 -1.45 -0.03 0.00 -0.96 0.00 0.00 56.93 54.43 2c42 s PHE 510 Cb -0.15 -1.69 -0.03 0.00 -0.34 0.00 0.00 43.02 40.82 2c42 s PHE 510 CO 0.04 -0.73 -0.04 0.08 -1.46 0.00 0.00 175.22 173.11 2c42 s VAL 511 N 1.41 3.87 -0.04 3.12 1.01 0.00 -0.91 120.40 128.86 2c42 s VAL 511 Ca 0.03 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2c42 s VAL 511 Cb -0.14 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2c42 s VAL 511 CO -0.10 0.50 -0.21 -0.22 0.00 0.00 0.00 175.10 175.07 2c42 s LEU 512 N 0.31 2.00 -0.33 3.92 2.96 0.98 -0.65 118.68 127.87 2c42 s LEU 512 Ca -0.04 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.32 2c42 s LEU 512 Cb -0.14 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 2c42 s LEU 512 CO 0.03 0.21 0.29 0.21 -1.32 0.00 0.00 176.35 175.77 2c42 s ASN 513 N -0.17 6.11 -0.01 3.68 2.47 -0.69 -0.50 114.94 125.83 2c42 s ASN 513 Ca -0.01 -0.29 -0.29 0.00 0.42 0.00 0.00 52.86 52.69 2c42 s ASN 513 Cb -0.11 -2.16 0.10 0.00 -1.45 0.00 0.00 41.25 37.62 2c42 s ASN 513 CO 0.02 -0.26 0.94 -0.94 -3.72 0.00 0.00 177.10 173.14 2c42 s SER 514 N 1.73 -0.31 -0.05 -4.21 1.04 -0.87 -3.22 113.70 107.82 2c42 s SER 514 Ca 0.09 -0.05 0.13 0.00 0.48 0.00 0.00 55.95 56.60 2c42 s SER 514 Cb -0.17 0.36 0.46 0.00 0.10 0.00 0.00 66.02 66.77 2c42 s SER 514 CO 0.11 -0.60 1.34 -0.81 0.98 0.00 0.00 173.24 174.26 2c42 n PRO 515 N -0.26 2.54 -1.96 4.02 -0.04 -1.26 -3.21 135.00 134.84 2c42 n PRO 515 Ca -0.07 -1.83 -0.41 0.00 -0.04 0.00 0.00 63.50 61.15 2c42 n PRO 515 Cb 0.61 -1.56 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 2c42 n PRO 515 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2c42 n TRP 516 N 0.76 2.75 -0.06 0.54 8.01 -1.26 -4.77 117.44 123.42 2c42 n TRP 516 Ca 0.17 -2.87 -0.11 0.00 -1.31 0.00 0.00 57.50 53.38 2c42 n TRP 516 Cb 0.54 -2.05 -0.04 0.00 -2.01 0.00 0.00 31.31 27.75 2c42 n TRP 516 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 2c42 h SER 517 N 5.15 0.29 -4.14 -0.99 0.02 -1.94 -3.34 113.55 108.59 2c42 h SER 517 Ca 0.63 -0.19 -0.46 0.00 -0.84 0.00 0.00 61.79 60.93 2c42 h SER 517 Cb 0.43 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2c42 h SER 517 CO 1.62 0.40 0.36 -0.94 -1.14 0.00 0.00 176.83 177.13 2c42 s SER 518 N -5.64 6.74 0.40 3.07 1.04 -1.26 -4.89 113.70 113.15 2c42 s SER 518 Ca -0.14 1.62 0.11 0.00 0.48 0.00 0.00 55.95 58.03 2c42 s SER 518 Cb 0.07 -2.52 0.91 0.00 0.10 0.00 0.00 66.02 64.58 2c42 s SER 518 CO 0.71 -0.51 1.95 0.25 0.98 0.00 0.00 173.24 176.63 2c42 h LEU 519 N 1.31 0.50 0.18 2.42 5.85 -1.95 -0.10 115.31 123.52 2c42 h LEU 519 Ca -0.48 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 2c42 h LEU 519 Cb 1.18 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2c42 h LEU 519 CO 0.61 0.30 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.80 2c42 h GLU 520 N 0.56 -0.30 -0.54 1.25 4.81 -1.95 0.51 114.58 118.92 2c42 h GLU 520 Ca 0.32 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.47 2c42 h GLU 520 Cb 0.50 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2c42 h GLU 520 CO -0.10 -0.20 -0.05 -0.44 -0.73 0.00 0.00 179.01 177.48 2c42 h ASP 521 N -0.32 0.95 -0.53 1.04 3.45 -1.64 -2.67 116.42 116.70 2c42 h ASP 521 Ca -0.01 -0.28 -0.04 0.00 0.43 0.00 0.00 57.03 57.13 2c42 h ASP 521 Cb 0.28 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 2c42 h ASP 521 CO -0.00 1.03 0.17 -0.03 -1.57 0.00 0.00 179.24 178.84 2c42 h MET 522 N 0.87 0.82 -0.54 3.56 4.05 -0.87 -2.36 114.93 120.47 2c42 h MET 522 Ca 0.15 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2c42 h MET 522 Cb 0.58 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 2c42 h MET 522 CO 0.04 0.76 0.35 -0.44 0.23 0.00 0.00 176.91 177.84 2c42 h ASP 523 N 0.73 0.62 1.14 1.39 3.45 -0.77 0.90 116.42 123.89 2c42 h ASP 523 Ca 0.17 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.54 2c42 h ASP 523 Cb 0.27 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 2c42 h ASP 523 CO -0.01 0.46 -0.36 0.50 -1.57 0.00 0.00 179.24 178.27 2c42 h LYS 524 N 0.73 0.00 0.00 3.56 3.64 -1.13 -3.37 116.57 120.01 2c42 h LYS 524 Ca 0.20 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.33 2c42 h LYS 524 Cb -0.07 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 2c42 h LYS 524 CO -0.04 0.36 -1.93 0.72 -2.27 0.00 0.00 179.45 176.28 2c42 n HIS 525 N -3.36 0.00 -2.51 1.91 8.25 -0.87 -4.98 115.22 113.66 2c42 n HIS 525 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 2c42 n HIS 525 Cb 0.56 -0.67 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 2c42 n HIS 525 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2c42 s LEU 526 N -5.11 4.39 0.61 2.41 1.43 0.26 -4.84 118.68 117.82 2c42 s LEU 526 Ca -0.09 1.94 -0.17 0.00 -1.03 0.00 0.00 54.13 54.78 2c42 s LEU 526 Cb 0.04 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 2c42 s LEU 526 CO 0.53 -0.39 1.14 -2.84 0.23 0.00 0.00 176.35 175.03 2c42 s PRO 527 N 0.87 2.96 0.31 1.29 0.02 -1.26 -4.84 135.00 134.34 2c42 s PRO 527 Ca 0.56 1.58 0.03 0.00 0.02 0.00 0.00 61.00 63.19 2c42 s PRO 527 Cb -0.27 -1.95 0.63 0.00 0.02 0.00 0.00 34.50 32.92 2c42 s PRO 527 CO 0.30 -1.16 1.88 0.66 -0.33 0.00 0.00 177.00 178.35 2c42 h SER 528 N 0.55 0.83 -0.74 2.53 4.64 -1.91 -2.06 113.55 117.39 2c42 h SER 528 Ca -0.49 0.03 0.05 0.00 -0.47 0.00 0.00 61.79 60.91 2c42 h SER 528 Cb 1.27 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.16 2c42 h SER 528 CO 0.55 0.48 0.44 1.23 -0.87 0.00 0.00 176.83 178.66 2c42 h GLY 529 N 0.91 1.09 1.04 -0.77 0.00 -1.91 -0.19 103.07 103.25 2c42 h GLY 529 Ca 0.43 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 47.30 2c42 h GLY 529 CO -0.19 0.22 -0.39 -2.22 0.00 0.00 0.00 176.54 173.96 2c42 h ILE 530 N 0.81 1.29 -0.55 2.60 2.04 -1.77 -2.00 117.51 119.94 2c42 h ILE 530 Ca 0.32 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.66 2c42 h ILE 530 Cb 0.15 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 2c42 h ILE 530 CO -0.16 0.51 0.29 0.11 0.00 0.00 0.00 178.15 178.89 2c42 h LYS 531 N 0.55 0.53 -0.56 2.37 1.57 -0.89 -1.09 116.57 119.06 2c42 h LYS 531 Ca 0.04 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2c42 h LYS 531 Cb 0.98 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2c42 h LYS 531 CO 0.09 0.35 -0.00 0.00 -0.57 0.00 0.00 179.45 179.32 2c42 h ARG 532 N 0.55 1.00 -0.42 3.15 3.08 -0.97 -2.15 114.38 118.62 2c42 h ARG 532 Ca 0.24 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2c42 h ARG 532 Cb 0.15 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2c42 h ARG 532 CO -0.16 1.00 0.08 1.15 -1.07 0.00 0.00 179.97 180.97 2c42 h THR 533 N 0.88 1.24 -0.11 2.04 2.02 -1.02 0.13 112.91 118.09 2c42 h THR 533 Ca 0.16 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.53 2c42 h THR 533 Cb 0.55 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 2c42 h THR 533 CO 0.03 0.29 -0.08 0.40 0.37 0.00 0.00 175.52 176.53 2c42 h ILE 534 N 0.54 0.75 0.04 3.11 2.04 -1.11 -0.99 117.51 121.89 2c42 h ILE 534 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 2c42 h ILE 534 Cb 0.35 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2c42 h ILE 534 CO 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 178.14 2c42 h ALA 535 N 0.99 -0.05 -0.29 1.87 0.00 -1.26 -1.49 119.26 119.03 2c42 h ALA 535 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2c42 h ALA 535 Cb 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2c42 h ALA 535 CO -0.17 -0.28 0.12 -0.91 0.00 0.00 0.00 179.25 178.01 2c42 h ASN 536 N -0.54 0.36 -0.29 0.00 2.35 -0.74 -1.71 115.58 115.00 2c42 h ASN 536 Ca -0.01 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2c42 h ASN 536 Cb 0.49 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2c42 h ASN 536 CO 0.01 0.33 0.00 0.29 -1.65 0.00 0.00 177.43 176.41 2c42 n LYS 537 N -4.42 2.00 -4.03 0.81 5.02 -0.38 -4.94 118.16 112.22 2c42 n LYS 537 Ca 0.01 -1.52 -0.28 0.00 -2.02 0.00 0.00 58.31 54.50 2c42 n LYS 537 Cb 0.13 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 2c42 n LYS 537 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2c42 n LYS 538 N 0.74 -3.23 -2.27 1.97 5.02 -0.65 0.16 118.16 119.90 2c42 n LYS 538 Ca 0.17 0.39 -0.33 0.00 -2.02 0.00 0.00 58.31 56.52 2c42 n LYS 538 Cb 0.41 -4.65 -0.01 0.00 -0.02 0.00 0.00 35.03 30.76 2c42 n LYS 538 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c42 s LEU 539 N -7.07 3.63 -0.55 -0.35 1.43 -0.60 -3.79 118.68 111.38 2c42 s LEU 539 Ca 0.20 1.79 -0.21 0.00 -1.03 0.00 0.00 54.13 54.88 2c42 s LEU 539 Cb -0.11 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.64 2c42 s LEU 539 CO 0.90 -0.92 0.77 -0.54 0.23 0.00 0.00 176.35 176.79 2c42 s LYS 540 N -3.83 3.17 -0.17 1.70 1.02 -0.06 -4.93 119.74 116.65 2c42 s LYS 540 Ca 0.63 -0.74 -0.14 0.00 0.02 0.00 0.00 55.97 55.74 2c42 s LYS 540 Cb -0.15 -4.12 -0.05 0.00 -0.52 0.00 0.00 37.83 33.00 2c42 s LYS 540 CO 0.31 -1.42 0.29 0.12 -0.92 0.00 0.00 175.35 173.73 2c42 s PHE 541 N 3.22 3.45 -0.08 3.18 5.36 -1.26 -1.51 117.98 130.34 2c42 s PHE 541 Ca 0.20 0.58 0.02 0.00 -0.96 0.00 0.00 56.93 56.78 2c42 s PHE 541 Cb -0.17 -2.35 0.01 0.00 -0.34 0.00 0.00 43.02 40.17 2c42 s PHE 541 CO 0.13 0.22 -0.14 0.71 -1.46 0.00 0.00 175.22 174.68 2c42 s TYR 542 N 0.54 1.66 -0.11 10.12 1.51 -0.09 0.67 117.35 131.65 2c42 s TYR 542 Ca 0.16 -0.67 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 2c42 s TYR 542 Cb -0.13 -1.21 -0.01 0.00 -0.11 0.00 0.00 41.96 40.49 2c42 s TYR 542 CO 0.04 -0.35 -0.15 1.21 -1.11 0.00 0.00 175.55 175.20 2c42 s ASN 543 N 0.77 3.91 -0.04 2.29 2.47 -1.26 -0.01 114.94 123.06 2c42 s ASN 543 Ca -0.12 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 52.83 2c42 s ASN 543 Cb -0.16 -1.48 0.02 0.00 -1.45 0.00 0.00 41.25 38.19 2c42 s ASN 543 CO 0.02 0.19 -0.02 -0.51 -3.72 0.00 0.00 177.10 173.06 2c42 s ILE 544 N 0.20 0.38 -1.29 -5.21 2.07 0.34 -4.85 121.20 112.83 2c42 s ILE 544 Ca -0.09 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 58.99 2c42 s ILE 544 Cb -0.15 -0.46 0.10 0.00 0.13 0.00 0.00 42.46 42.08 2c42 s ILE 544 CO 0.05 0.21 1.71 -0.67 -1.91 0.00 0.00 174.94 174.33 2c42 n ASP 545 N 4.31 4.92 -0.27 4.50 -0.08 -1.20 -2.04 116.55 126.69 2c42 n ASP 545 Ca -0.22 -2.94 0.01 0.00 -1.51 0.00 0.00 54.79 50.13 2c42 n ASP 545 Cb 0.50 -1.68 0.21 0.00 2.34 0.00 0.00 41.12 42.50 2c42 n ASP 545 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c42 h ALA 546 N 7.19 1.44 -0.51 -1.67 0.00 -1.92 -2.45 119.26 121.34 2c42 h ALA 546 Ca 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2c42 h ALA 546 Cb 0.83 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2c42 h ALA 546 CO 1.45 0.50 0.24 0.28 0.00 0.00 0.00 179.25 181.71 2c42 h VAL 547 N 1.10 1.20 -0.08 0.00 2.07 -1.87 -0.89 116.25 117.78 2c42 h VAL 547 Ca 0.33 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2c42 h VAL 547 Cb -0.05 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2c42 h VAL 547 CO -0.09 0.22 0.03 0.50 0.02 0.00 0.00 177.57 178.26 2c42 h LYS 548 N 0.68 0.12 -0.16 1.57 3.64 -1.85 -1.00 116.57 119.57 2c42 h LYS 548 Ca 0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2c42 h LYS 548 Cb 0.14 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2c42 h LYS 548 CO -0.02 0.22 0.10 0.82 -2.27 0.00 0.00 179.45 178.31 2c42 h ILE 549 N -0.01 1.05 -0.70 2.00 2.04 -1.37 -0.16 117.51 120.35 2c42 h ILE 549 Ca 0.03 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2c42 h ILE 549 Cb 0.15 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 2c42 h ILE 549 CO -0.00 0.05 0.40 0.00 0.00 0.00 0.00 178.15 178.60 2c42 h ALA 550 N 1.05 0.93 -0.52 1.87 0.00 -1.08 -1.04 119.26 120.46 2c42 h ALA 550 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2c42 h ALA 550 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2c42 h ALA 550 CO -0.01 0.11 0.15 1.15 0.00 0.00 0.00 179.25 180.65 2c42 h THR 551 N 0.75 1.23 -0.31 0.00 2.02 -0.86 0.18 112.91 115.93 2c42 h THR 551 Ca 0.30 -0.80 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 2c42 h THR 551 Cb 0.15 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2c42 h THR 551 CO -0.16 0.29 0.02 -0.78 0.37 0.00 0.00 175.52 175.26 2c42 h ASP 552 N 0.72 0.43 0.12 4.18 3.58 -0.29 -2.53 116.42 122.62 2c42 h ASP 552 Ca 0.17 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2c42 h ASP 552 Cb 0.29 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2c42 h ASP 552 CO -0.00 0.49 -0.09 1.33 -2.88 0.00 0.00 179.24 178.08 2c42 n VAL 553 N -4.31 0.00 -0.11 2.25 0.24 -0.46 -4.92 118.33 111.00 2c42 n VAL 553 Ca 0.01 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2c42 n VAL 553 Cb 0.22 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2c42 n VAL 553 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2c42 n GLY 554 N 1.22 0.75 0.47 7.63 0.00 -0.95 -4.73 105.19 109.58 2c42 n GLY 554 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 2c42 n GLY 554 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c42 n LEU 555 N 0.00 1.34 -3.91 0.99 4.77 0.62 -4.94 117.00 115.87 2c42 n LEU 555 Ca 0.00 -0.67 -0.29 0.00 -0.03 0.00 0.00 56.01 55.02 2c42 n LEU 555 Cb 0.00 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2c42 n LEU 555 CO 0.00 0.32 0.05 0.61 -1.33 0.00 0.00 177.39 177.04 2c42 n GLY 556 N 0.84 -0.44 2.81 -0.72 0.00 -1.21 -2.19 105.19 104.27 2c42 n GLY 556 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2c42 n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c42 n GLY 557 N -1.66 2.56 3.66 -0.02 0.00 -1.26 -4.86 105.19 103.61 2c42 n GLY 557 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2c42 n GLY 557 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c42 s ARG 558 N -0.06 4.17 0.01 1.61 1.81 -0.93 -4.59 118.95 120.96 2c42 s ARG 558 Ca 0.00 2.37 0.24 0.00 -1.72 0.00 0.00 55.73 56.62 2c42 s ARG 558 Cb 0.00 -3.99 0.38 0.00 -0.45 0.00 0.00 34.95 30.89 2c42 s ARG 558 CO 0.00 -0.87 1.32 0.44 -0.68 0.00 0.00 175.30 175.51 2c42 n ILE 559 N 5.39 0.03 -0.23 1.52 -5.35 -1.26 -4.60 119.36 114.85 2c42 n ILE 559 Ca 0.18 -0.03 0.04 0.00 -0.27 0.00 0.00 62.75 62.67 2c42 n ILE 559 Cb 0.42 0.32 0.15 0.00 -1.74 0.00 0.00 39.64 38.78 2c42 n ILE 559 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2c42 h ASN 560 N 0.00 -0.14 0.15 7.28 -1.07 -1.90 -1.86 115.58 118.04 2c42 h ASN 560 Ca 0.00 0.16 -0.11 0.00 0.07 0.00 0.00 56.30 56.41 2c42 h ASN 560 Cb 0.53 0.24 -0.01 0.00 -2.07 0.00 0.00 38.32 37.01 2c42 h ASN 560 CO 0.00 -0.09 -0.40 -0.03 0.07 0.00 0.00 177.43 176.98 2c42 h MET 561 N 0.19 0.33 -0.20 4.14 4.05 -1.94 -1.42 114.93 120.08 2c42 h MET 561 Ca 0.38 -0.16 -0.05 0.00 -0.28 0.00 0.00 59.70 59.59 2c42 h MET 561 Cb 0.64 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 2c42 h MET 561 CO -0.54 0.68 -0.07 0.82 0.23 0.00 0.00 176.91 178.03 2c42 h ILE 562 N 0.28 1.30 0.00 1.77 5.03 -1.68 -1.89 117.51 122.32 2c42 h ILE 562 Ca 0.03 -1.10 -0.05 0.00 -0.12 0.00 0.00 64.86 63.62 2c42 h ILE 562 Cb 0.83 1.61 -0.01 0.00 -3.03 0.00 0.00 36.82 36.23 2c42 h ILE 562 CO 0.07 0.33 -0.21 0.24 -0.68 0.00 0.00 178.15 177.89 2c42 h MET 563 N 0.10 0.00 -0.27 2.37 2.86 -1.29 -1.80 114.93 116.90 2c42 h MET 563 Ca 0.05 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 2c42 h MET 563 Cb 0.54 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 2c42 h MET 563 CO 0.02 0.21 -0.24 0.37 1.06 0.00 0.00 176.91 178.34 2c42 h GLN 564 N 0.00 0.63 -0.77 1.72 5.75 -1.12 -2.51 115.11 118.81 2c42 h GLN 564 Ca -0.00 -0.32 -0.03 0.00 -0.15 0.00 0.00 58.65 58.14 2c42 h GLN 564 Cb 0.68 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 2c42 h GLN 564 CO 0.03 0.92 0.36 1.15 -2.65 0.00 0.00 178.83 178.64 2c42 h THR 565 N 0.36 1.24 -0.60 2.39 2.02 -0.88 -1.63 112.91 115.82 2c42 h THR 565 Ca 0.05 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.57 2c42 h THR 565 Cb 0.79 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 2c42 h THR 565 CO 0.06 0.30 0.34 0.00 0.37 0.00 0.00 175.52 176.58 2c42 h ALA 566 N 1.29 0.78 0.09 6.16 0.00 -1.19 0.57 119.26 126.96 2c42 h ALA 566 Ca 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2c42 h ALA 566 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2c42 h ALA 566 CO -0.03 0.03 -0.04 0.35 0.00 0.00 0.00 179.25 179.55 2c42 h PHE 567 N 0.64 -0.11 -0.51 0.00 3.57 -0.95 0.44 116.94 120.02 2c42 h PHE 567 Ca 0.26 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2c42 h PHE 567 Cb 0.12 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2c42 h PHE 567 CO -0.08 0.05 0.24 0.74 -2.23 0.00 0.00 178.31 177.04 2c42 h PHE 568 N -0.26 0.71 0.13 0.41 0.04 -1.01 0.07 116.94 117.03 2c42 h PHE 568 Ca -0.01 -0.02 -0.30 0.00 2.80 0.00 0.00 57.97 60.43 2c42 h PHE 568 Cb 0.22 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 2c42 h PHE 568 CO -0.03 0.53 -1.50 -0.22 -0.60 0.00 0.00 178.31 176.49 2c42 h LYS 569 N 0.72 0.27 0.00 1.51 3.64 -0.81 -3.42 116.57 118.49 2c42 h LYS 569 Ca 0.18 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2c42 h LYS 569 Cb 0.09 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2c42 h LYS 569 CO -0.02 1.15 -1.16 1.28 -2.27 0.00 0.00 179.45 178.43 2c42 n LEU 570 N -3.48 0.27 0.30 5.20 4.77 0.14 -4.60 117.00 119.60 2c42 n LEU 570 Ca -0.16 -0.23 0.20 0.00 -0.03 0.00 0.00 56.01 55.79 2c42 n LEU 570 Cb 1.04 0.00 0.93 0.00 -2.33 0.00 0.00 43.42 43.07 2c42 n LEU 570 CO 0.51 0.07 1.08 0.00 -1.33 0.00 0.00 177.39 177.72 2c42 h ALA 571 N 1.49 1.00 -0.14 -1.18 0.00 -1.11 -3.46 119.26 115.85 2c42 h ALA 571 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2c42 h ALA 571 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2c42 h ALA 571 CO 0.00 0.00 -0.06 0.41 0.00 0.00 0.00 179.25 179.60 2c42 n GLY 572 N -0.53 0.62 0.10 0.00 0.00 -1.26 -4.86 105.19 99.25 2c42 n GLY 572 Ca -0.01 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 2c42 n GLY 572 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2c42 h VAL 573 N 0.00 1.45 -4.00 1.61 2.07 -1.88 -3.47 116.25 112.02 2c42 h VAL 573 Ca -0.06 -3.06 -0.19 0.00 0.82 0.00 0.00 66.70 64.20 2c42 h VAL 573 Cb 0.23 2.88 -0.17 0.00 -1.52 0.00 0.00 31.29 32.71 2c42 h VAL 573 CO 0.09 0.88 -0.70 -0.76 0.02 0.00 0.00 177.57 177.10 2c42 s LEU 574 N -7.01 2.41 0.54 2.57 1.43 -1.26 -5.10 118.68 112.26 2c42 s LEU 574 Ca -0.04 -0.83 -0.21 0.00 -1.03 0.00 0.00 54.13 52.02 2c42 s LEU 574 Cb 0.08 0.02 -0.05 0.00 0.03 0.00 0.00 46.19 46.26 2c42 s LEU 574 CO 0.87 -0.43 1.22 -2.16 0.23 0.00 0.00 176.35 176.07 2c42 s PRO 575 N -3.03 3.28 0.19 1.29 0.04 -1.26 -4.71 135.00 130.80 2c42 s PRO 575 Ca 0.02 1.87 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 2c42 s PRO 575 Cb 0.01 -2.14 0.13 0.00 0.04 0.00 0.00 34.50 32.53 2c42 s PRO 575 CO -0.05 -0.97 1.57 0.35 0.04 0.00 0.00 177.00 177.94 2c42 h PHE 576 N 1.38 -1.09 -0.48 0.56 3.04 -1.92 0.10 116.94 118.53 2c42 h PHE 576 Ca -0.50 0.09 0.03 0.00 3.98 0.00 0.00 57.97 61.57 2c42 h PHE 576 Cb 1.28 0.58 -0.04 0.00 2.56 0.00 0.00 35.95 40.33 2c42 h PHE 576 CO 0.49 -0.40 0.26 1.49 -2.02 0.00 0.00 178.31 178.13 2c42 h GLU 577 N -0.13 0.50 -0.62 1.11 4.81 -1.99 -1.45 114.58 116.81 2c42 h GLU 577 Ca 0.25 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 2c42 h GLU 577 Cb 0.56 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2c42 h GLU 577 CO -0.77 0.33 0.16 -0.22 -0.73 0.00 0.00 179.01 177.78 2c42 h LYS 578 N 0.52 0.99 0.29 1.92 1.63 -1.78 -1.98 116.57 118.16 2c42 h LYS 578 Ca 0.20 -0.24 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2c42 h LYS 578 Cb 0.07 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 2c42 h LYS 578 CO -0.12 0.90 -0.21 0.00 -3.45 0.00 0.00 179.45 176.57 2c42 h ALA 579 N 1.05 -0.49 -0.70 5.00 0.00 -0.49 -1.06 119.26 122.57 2c42 h ALA 579 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2c42 h ALA 579 Cb 0.35 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2c42 h ALA 579 CO 0.00 -0.79 0.30 0.28 0.00 0.00 0.00 179.25 179.04 2c42 h VAL 580 N -0.50 1.23 0.23 0.00 2.07 -1.25 -1.57 116.25 116.46 2c42 h VAL 580 Ca -0.02 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2c42 h VAL 580 Cb 0.44 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2c42 h VAL 580 CO -0.00 0.29 -0.12 -0.78 0.02 0.00 0.00 177.57 176.98 2c42 h ASP 581 N 1.00 -0.29 -0.79 0.57 -0.00 -1.07 -1.02 116.42 114.81 2c42 h ASP 581 Ca 0.24 0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 57.27 2c42 h ASP 581 Cb 0.16 0.08 -0.04 0.00 -0.00 0.00 0.00 39.33 39.54 2c42 h ASP 581 CO -0.02 -0.20 0.44 -0.07 -0.00 0.00 0.00 179.24 179.38 2c42 h LEU 582 N -0.33 0.99 0.08 2.28 3.38 -1.03 -1.17 115.31 119.50 2c42 h LEU 582 Ca -0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2c42 h LEU 582 Cb 0.26 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2c42 h LEU 582 CO 0.04 0.80 -0.04 0.25 0.09 0.00 0.00 178.44 179.59 2c42 h LEU 583 N 1.10 -0.09 -0.98 1.67 5.85 -1.12 -1.54 115.31 120.20 2c42 h LEU 583 Ca 0.28 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.04 2c42 h LEU 583 Cb 0.03 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 2c42 h LEU 583 CO -0.05 -0.05 0.64 0.11 -0.34 0.00 0.00 178.44 178.75 2c42 h LYS 584 N -0.11 1.17 0.16 1.25 1.79 -0.98 -2.38 116.57 117.47 2c42 h LYS 584 Ca -0.01 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2c42 h LYS 584 Cb 0.09 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 2c42 h LYS 584 CO 0.02 0.78 -0.20 0.87 -1.08 0.00 0.00 179.45 179.83 2c42 h LYS 585 N 1.21 -0.39 -0.55 3.15 1.79 -0.73 -2.31 116.57 118.74 2c42 h LYS 585 Ca 0.40 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.98 2c42 h LYS 585 Cb 0.07 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 2c42 h LYS 585 CO -0.14 -0.26 0.37 0.66 -1.08 0.00 0.00 179.45 179.00 2c42 h SER 586 N -0.41 0.37 -0.27 0.86 4.64 -0.94 -1.29 113.55 116.51 2c42 h SER 586 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2c42 h SER 586 Cb 0.40 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2c42 h SER 586 CO -0.08 0.23 0.15 0.40 -0.87 0.00 0.00 176.83 176.66 2c42 h ILE 587 N 0.42 1.13 0.00 0.95 2.04 -0.92 0.33 117.51 121.45 2c42 h ILE 587 Ca 0.25 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2c42 h ILE 587 Cb 0.44 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2c42 h ILE 587 CO -0.07 0.13 0.00 0.45 0.00 0.00 0.00 178.15 178.66 2c42 h HIS 588 N 0.32 0.00 0.00 1.37 3.86 -0.94 -1.99 115.15 117.78 2c42 h HIS 588 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2c42 h HIS 588 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2c42 h HIS 588 CO -0.03 0.00 0.00 1.17 0.86 0.00 0.00 177.93 179.93 2c42 n LYS 589 N -2.33 0.00 -0.23 2.45 4.81 -0.06 -4.33 118.16 118.47 2c42 n LYS 589 Ca 0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.36 2c42 n LYS 589 Cb 0.20 -0.27 -0.08 0.00 0.02 0.00 0.00 35.03 34.90 2c42 n LYS 589 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2c42 h ALA 590 N -2.00 -0.53 -3.00 3.14 0.00 -0.55 -3.41 119.26 112.91 2c42 h ALA 590 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2c42 h ALA 590 Cb 0.00 1.18 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2c42 h ALA 590 CO 0.00 -0.80 0.00 0.66 0.00 0.00 0.00 179.25 179.11 2c42 n TYR 591 N -4.73 0.00 0.00 0.00 4.01 -0.75 -4.53 117.16 111.17 2c42 n TYR 591 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2c42 n TYR 591 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 2c42 n TYR 591 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c42 n GLY 592 N 4.42 0.89 0.00 2.72 0.00 -1.25 -4.56 105.19 107.41 2c42 n GLY 592 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2c42 n GLY 592 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2c42 n LYS 593 N 0.00 0.85 -0.25 1.61 2.85 -1.26 -2.43 118.16 119.53 2c42 n LYS 593 Ca 0.00 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.35 2c42 n LYS 593 Cb 0.00 -1.11 0.16 0.00 -0.65 0.00 0.00 35.03 33.43 2c42 n LYS 593 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2c42 n LYS 594 N -0.61 1.33 0.00 -1.58 5.02 -1.26 -5.10 118.16 115.96 2c42 n LYS 594 Ca 0.04 -2.76 0.00 0.00 -2.02 0.00 0.00 58.31 53.58 2c42 n LYS 594 Cb 0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 2c42 n LYS 594 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c42 n GLY 595 N -1.29 -1.13 0.28 0.72 0.00 -1.02 -4.05 105.19 98.70 2c42 n GLY 595 Ca 0.16 -1.56 0.18 0.00 0.00 0.00 0.00 46.02 44.80 2c42 n GLY 595 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c42 h GLU 596 N 0.00 0.00 0.72 1.61 3.07 -1.99 -2.97 114.58 115.02 2c42 h GLU 596 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 2c42 h GLU 596 Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2c42 h GLU 596 CO 0.00 0.00 -0.35 -0.22 -1.40 0.00 0.00 179.01 177.04 2c42 h LYS 597 N 0.00 -0.93 -1.00 2.33 3.64 -1.97 0.39 116.57 119.02 2c42 h LYS 597 Ca 0.00 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2c42 h LYS 597 Cb 0.37 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 2c42 h LYS 597 CO 0.00 -0.60 0.66 0.82 -2.27 0.00 0.00 179.45 178.06 2c42 h ILE 598 N -1.09 1.22 -0.62 2.00 1.08 -1.68 -1.80 117.51 116.62 2c42 h ILE 598 Ca -0.10 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 2c42 h ILE 598 Cb 0.77 -0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.27 2c42 h ILE 598 CO 0.16 0.24 0.33 0.58 -0.69 0.00 0.00 178.15 178.77 2c42 h VAL 599 N 1.32 1.20 -0.33 1.67 2.07 -1.36 -2.38 116.25 118.44 2c42 h VAL 599 Ca 0.38 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2c42 h VAL 599 Cb -0.08 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2c42 h VAL 599 CO -0.10 0.22 0.19 0.50 0.02 0.00 0.00 177.57 178.40 2c42 h LYS 600 N 0.84 0.45 -0.93 1.57 3.64 0.53 -0.81 116.57 121.86 2c42 h LYS 600 Ca 0.22 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2c42 h LYS 600 Cb 0.06 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 2c42 h LYS 600 CO -0.03 0.35 0.60 0.52 -2.27 0.00 0.00 179.45 178.62 2c42 h MET 601 N 0.42 1.03 -0.16 1.90 2.86 -1.13 0.28 114.93 120.14 2c42 h MET 601 Ca 0.12 -0.06 -0.19 0.00 -2.06 0.00 0.00 59.70 57.50 2c42 h MET 601 Cb 0.02 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.45 2c42 h MET 601 CO -0.02 0.68 -0.68 -0.91 1.06 0.00 0.00 176.91 177.04 2c42 h ASN 602 N 1.06 0.73 0.53 1.22 2.35 -0.97 -0.61 115.58 119.90 2c42 h ASN 602 Ca 0.40 -0.45 -0.14 0.00 -0.55 0.00 0.00 56.30 55.56 2c42 h ASN 602 Cb 0.19 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2c42 h ASN 602 CO -0.15 1.21 -0.61 0.71 -1.65 0.00 0.00 177.43 176.94 2c42 h THR 603 N 0.45 1.42 -0.49 2.81 1.35 -0.65 -1.59 112.91 116.21 2c42 h THR 603 Ca -0.02 -2.06 -0.10 0.00 -0.55 0.00 0.00 66.41 63.67 2c42 h THR 603 Cb 1.27 2.09 -0.02 0.00 -1.73 0.00 0.00 68.15 69.77 2c42 h THR 603 CO 0.13 0.60 -0.08 0.44 -0.25 0.00 0.00 175.52 176.36 2c42 h ASP 604 N 0.06 0.93 -0.46 5.36 3.45 -0.32 -0.94 116.42 124.50 2c42 h ASP 604 Ca -0.01 -0.35 0.00 0.00 0.43 0.00 0.00 57.03 57.11 2c42 h ASP 604 Cb 1.10 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.59 2c42 h ASP 604 CO 0.09 1.06 0.30 0.00 -1.57 0.00 0.00 179.24 179.11 2c42 h ALA 605 N 0.90 0.58 -0.08 3.45 0.00 -0.78 0.17 119.26 123.51 2c42 h ALA 605 Ca 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2c42 h ALA 605 Cb 0.63 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2c42 h ALA 605 CO 0.04 0.04 -0.00 0.28 0.00 0.00 0.00 179.25 179.61 2c42 h VAL 606 N 0.62 0.94 -0.57 0.00 2.07 -1.03 0.17 116.25 118.46 2c42 h VAL 606 Ca 0.17 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.70 2c42 h VAL 606 Cb -0.07 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2c42 h VAL 606 CO -0.04 0.00 0.36 0.44 0.02 0.00 0.00 177.57 178.36 2c42 h ASP 607 N 0.03 0.61 -0.05 0.57 3.45 -0.78 -0.53 116.42 119.71 2c42 h ASP 607 Ca 0.04 -0.01 -0.12 0.00 0.43 0.00 0.00 57.03 57.37 2c42 h ASP 607 Cb 0.04 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 2c42 h ASP 607 CO -0.07 0.43 -0.36 1.56 -1.57 0.00 0.00 179.24 179.23 2c42 h GLN 608 N 0.73 0.55 -0.32 3.56 4.20 -0.78 -1.89 115.11 121.15 2c42 h GLN 608 Ca 0.22 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2c42 h GLN 608 Cb -0.03 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2c42 h GLN 608 CO -0.07 0.83 -0.02 0.00 -0.67 0.00 0.00 178.83 178.90 2c42 h ALA 609 N 1.15 0.44 -0.65 3.87 0.00 -0.60 0.89 119.26 124.35 2c42 h ALA 609 Ca 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2c42 h ALA 609 Cb 0.84 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2c42 h ALA 609 CO 0.07 0.21 0.42 0.28 0.00 0.00 0.00 179.25 180.23 2c42 h VAL 610 N 0.38 1.14 -0.57 0.00 2.07 -1.01 0.34 116.25 118.60 2c42 h VAL 610 Ca 0.09 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2c42 h VAL 610 Cb 0.47 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2c42 h VAL 610 CO 0.02 0.16 0.24 0.74 0.02 0.00 0.00 177.57 178.75 2c42 h THR 611 N 0.85 1.22 0.00 2.57 2.02 -1.10 -3.16 112.91 115.31 2c42 h THR 611 Ca 0.25 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2c42 h THR 611 Cb -0.06 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2c42 h THR 611 CO -0.07 0.26 -0.28 0.28 0.37 0.00 0.00 175.52 176.08 2c42 h SER 612 N 0.78 0.00 -0.81 4.18 0.02 -0.32 -3.43 113.55 113.97 2c42 h SER 612 Ca 0.19 -0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 60.64 2c42 h SER 612 Cb 0.17 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.64 2c42 h SER 612 CO -0.02 0.00 1.42 -0.76 -1.14 0.00 0.00 176.83 176.34 2c42 s LEU 613 N -5.78 3.42 0.15 5.07 1.43 0.12 -4.92 118.68 118.16 2c42 s LEU 613 Ca 0.05 -1.59 0.09 0.00 -1.03 0.00 0.00 54.13 51.66 2c42 s LEU 613 Cb 0.07 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2c42 s LEU 613 CO 0.70 -2.05 -0.20 -1.10 0.23 0.00 0.00 176.35 173.93 2c42 s GLN 614 N 5.57 1.26 0.39 1.70 -1.52 -1.26 -4.99 119.66 120.82 2c42 s GLN 614 Ca 0.59 -1.34 -0.27 0.00 -1.95 0.00 0.00 55.36 52.39 2c42 s GLN 614 Cb -0.01 -1.45 -0.10 0.00 -0.22 0.00 0.00 33.01 31.23 2c42 s GLN 614 CO 0.02 0.31 1.47 -1.21 -0.25 0.00 0.00 175.29 175.63 2c42 s GLU 615 N -2.44 4.01 -0.31 2.91 2.02 -1.26 -4.47 118.70 119.16 2c42 s GLU 615 Ca 0.13 2.53 -0.21 0.00 0.02 0.00 0.00 54.97 57.44 2c42 s GLU 615 Cb -0.08 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 2c42 s GLU 615 CO 0.06 -0.60 0.68 0.12 0.02 0.00 0.00 175.26 175.54 2c42 s PHE 616 N -1.14 3.21 -0.55 1.61 5.36 0.21 -4.98 117.98 121.69 2c42 s PHE 616 Ca 0.55 0.64 -0.27 0.00 -0.96 0.00 0.00 56.93 56.89 2c42 s PHE 616 Cb -0.46 -3.07 0.03 0.00 -0.34 0.00 0.00 43.02 39.19 2c42 s PHE 616 CO 0.61 -0.51 1.08 0.15 -1.46 0.00 0.00 175.22 175.10 2c42 s LYS 617 N 2.72 3.48 -0.06 10.12 -0.14 -1.26 -4.62 119.74 129.98 2c42 s LYS 617 Ca 0.27 0.11 -0.04 0.00 -1.36 0.00 0.00 55.97 54.94 2c42 s LYS 617 Cb -0.15 -4.01 -0.04 0.00 -1.68 0.00 0.00 37.83 31.95 2c42 s LYS 617 CO 0.12 -1.55 0.16 1.52 -0.76 0.00 0.00 175.35 174.84 2c42 s TYR 618 N 4.49 3.56 0.60 3.18 -0.85 -1.26 -5.02 117.35 122.05 2c42 s TYR 618 Ca 0.39 0.43 -0.17 0.00 -0.52 0.00 0.00 57.07 57.20 2c42 s TYR 618 Cb -0.09 -1.87 -0.03 0.00 0.38 0.00 0.00 41.96 40.34 2c42 s TYR 618 CO 0.24 0.68 1.10 -1.25 -1.52 0.00 0.00 175.55 174.80 2c42 s PRO 619 N -1.53 3.13 0.51 -3.49 0.04 -1.26 -4.92 135.00 127.49 2c42 s PRO 619 Ca 0.22 1.39 0.25 0.00 0.04 0.00 0.00 61.00 62.90 2c42 s PRO 619 Cb -0.12 -1.99 1.40 0.00 0.04 0.00 0.00 34.50 33.82 2c42 s PRO 619 CO 0.12 -0.99 2.08 0.22 0.04 0.00 0.00 177.00 178.47 2c42 h ASP 620 N 0.51 0.00 0.00 6.66 3.58 -2.00 -1.88 116.42 123.29 2c42 h ASP 620 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2c42 h ASP 620 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2c42 h ASP 620 CO 0.56 0.12 0.08 -1.54 -2.88 0.00 0.00 179.24 175.58 2c42 n SER 621 N -3.81 0.27 0.19 2.28 3.41 -1.26 -0.35 113.62 114.35 2c42 n SER 621 Ca -0.02 0.58 0.05 0.00 -0.26 0.00 0.00 58.87 59.21 2c42 n SER 621 Cb 0.22 -0.60 0.38 0.00 -0.26 0.00 0.00 64.21 63.95 2c42 n SER 621 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2c42 h TRP 622 N 0.00 0.00 -1.23 7.33 4.06 -1.67 -3.05 115.95 121.40 2c42 h TRP 622 Ca 0.00 0.00 0.35 0.00 2.06 0.00 0.00 58.89 61.30 2c42 h TRP 622 Cb 0.16 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.26 2c42 h TRP 622 CO 0.00 0.37 0.87 0.87 -3.56 0.00 0.00 178.44 176.99 2c42 h LYS 623 N 0.00 0.05 -0.92 0.49 1.57 -0.91 -2.08 116.57 114.77 2c42 h LYS 623 Ca -0.00 -0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 2c42 h LYS 623 Cb 0.76 -0.01 -0.41 0.00 0.08 0.00 0.00 32.23 32.65 2c42 h LYS 623 CO 0.05 0.03 -1.07 -0.40 -0.57 0.00 0.00 179.45 177.49 2c42 n ASP 624 N -4.23 2.34 -4.76 0.86 5.68 -1.15 -4.79 116.55 110.50 2c42 n ASP 624 Ca 0.27 -2.80 -0.41 0.00 -0.50 0.00 0.00 54.79 51.35 2c42 n ASP 624 Cb 1.27 -0.49 -0.00 0.00 -1.14 0.00 0.00 41.12 40.75 2c42 n ASP 624 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2c42 n ALA 625 N -0.32 2.24 -1.77 2.12 0.00 -0.78 -4.92 120.51 117.07 2c42 n ALA 625 Ca 0.17 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.57 2c42 n ALA 625 Cb 0.80 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.84 2c42 n ALA 625 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2c42 s PRO 626 N -1.71 3.87 0.49 0.00 0.04 -1.26 -4.89 135.00 131.54 2c42 s PRO 626 Ca 0.56 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 63.52 2c42 s PRO 626 Cb -0.50 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 2c42 s PRO 626 CO 0.60 -0.53 0.86 0.00 0.04 0.00 0.00 177.00 177.98 2c42 s ALA 627 N -1.35 3.27 0.41 8.56 0.00 -1.26 -4.61 121.76 126.77 2c42 s ALA 627 Ca 0.59 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.38 2c42 s ALA 627 Cb -0.35 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.01 2c42 s ALA 627 CO 0.44 -0.29 0.33 -0.85 0.00 0.00 0.00 175.76 175.39 2c42 n GLU 628 N -1.93 0.87 0.00 0.00 0.28 -1.26 -5.11 120.64 113.49 2c42 n GLU 628 Ca 0.03 -2.52 0.00 0.00 -0.16 0.00 0.00 57.16 54.51 2c42 n GLU 628 Cb 0.54 0.23 0.00 0.00 1.43 0.00 0.00 31.44 33.64 2c42 n GLU 628 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2c42 n THR 629 N -1.50 0.00 -3.49 3.84 -2.24 -1.26 -5.05 114.28 104.58 2c42 n THR 629 Ca -0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 2c42 n THR 629 Cb 0.46 -1.56 -0.10 0.00 -2.10 0.00 0.00 70.33 67.04 2c42 n THR 629 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2c42 n LYS 630 N 0.00 1.09 -0.43 -0.78 2.85 -1.26 -4.97 118.16 114.67 2c42 n LYS 630 Ca 0.00 -3.76 -0.02 0.00 -1.05 0.00 0.00 58.31 53.47 2c42 n LYS 630 Cb 0.00 -1.83 -0.04 0.00 -0.65 0.00 0.00 35.03 32.52 2c42 n LYS 630 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2c42 n ALA 631 N 2.00 3.56 -1.82 0.58 0.00 -1.26 -4.86 120.51 118.71 2c42 n ALA 631 Ca 0.25 -0.38 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 2c42 n ALA 631 Cb 0.45 -1.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 2c42 n ALA 631 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2c42 s GLU 632 N 1.02 4.75 1.22 0.00 4.04 -1.26 -5.06 118.70 123.40 2c42 s GLU 632 Ca 0.14 1.37 -0.20 0.00 0.04 0.00 0.00 54.97 56.32 2c42 s GLU 632 Cb 0.07 -3.24 0.30 0.00 0.02 0.00 0.00 34.13 31.28 2c42 s GLU 632 CO 0.00 0.52 1.14 -1.25 -1.84 0.00 0.00 175.26 173.83 2c42 s PRO 633 N -1.24 -1.34 -0.07 -4.83 0.04 -1.26 -5.02 135.00 121.28 2c42 s PRO 633 Ca 0.40 -0.23 -0.17 0.00 0.04 0.00 0.00 61.00 61.04 2c42 s PRO 633 Cb -0.25 -1.60 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2c42 s PRO 633 CO 0.30 -3.76 0.46 -1.64 0.04 0.00 0.00 177.00 172.40 2c42 s MET 634 N -5.56 4.21 0.33 4.56 -1.94 -1.26 -5.06 119.30 114.58 2c42 s MET 634 Ca 0.73 0.45 0.06 0.00 -1.71 0.00 0.00 55.69 55.21 2c42 s MET 634 Cb -0.07 -3.36 -0.02 0.00 2.01 0.00 0.00 34.83 33.39 2c42 s MET 634 CO 0.55 0.36 0.32 0.25 -0.01 0.00 0.00 175.02 176.49 2c42 n THR 635 N 2.97 0.00 -2.72 2.05 -2.24 -1.26 -5.06 114.28 108.02 2c42 n THR 635 Ca -0.09 -2.25 -0.21 0.00 -2.27 0.00 0.00 64.05 59.23 2c42 n THR 635 Cb 0.52 1.17 0.04 0.00 -2.10 0.00 0.00 70.33 69.96 2c42 n THR 635 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2c42 s ASN 636 N -3.25 5.22 0.20 3.42 2.20 -1.26 -4.93 114.94 116.54 2c42 s ASN 636 Ca 0.37 -0.18 -0.10 0.00 -0.94 0.00 0.00 52.86 52.01 2c42 s ASN 636 Cb 0.01 -0.66 0.26 0.00 -2.00 0.00 0.00 41.25 38.86 2c42 s ASN 636 CO 0.26 -1.17 1.73 -0.08 -2.94 0.00 0.00 177.10 174.90 2c42 h GLU 637 N 0.11 0.33 -0.60 3.55 4.81 -2.02 -1.55 114.58 119.21 2c42 h GLU 637 Ca -0.40 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.75 2c42 h GLU 637 Cb 1.29 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 2c42 h GLU 637 CO 0.49 0.22 0.13 0.35 -0.73 0.00 0.00 179.01 179.47 2c42 h PHE 638 N 0.35 0.98 -0.46 0.92 3.57 -1.98 -0.48 116.94 119.84 2c42 h PHE 638 Ca 0.30 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 2c42 h PHE 638 Cb 0.38 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2c42 h PHE 638 CO -0.19 0.82 0.07 0.35 -2.23 0.00 0.00 178.31 177.13 2c42 h PHE 639 N 0.90 0.81 -0.37 0.41 3.57 -1.78 0.52 116.94 121.00 2c42 h PHE 639 Ca 0.19 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2c42 h PHE 639 Cb 0.34 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2c42 h PHE 639 CO 0.02 0.76 0.05 0.87 -2.23 0.00 0.00 178.31 177.78 2c42 h LYS 640 N 0.63 0.61 0.00 1.11 1.57 -0.97 0.50 116.57 120.02 2c42 h LYS 640 Ca 0.14 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2c42 h LYS 640 Cb 0.38 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2c42 h LYS 640 CO 0.01 0.69 -0.96 -0.91 -0.57 0.00 0.00 179.45 177.70 2c42 h ASN 641 N 0.45 0.00 0.00 0.86 2.35 -1.05 -3.41 115.58 114.77 2c42 h ASN 641 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2c42 h ASN 641 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2c42 h ASN 641 CO 0.01 0.27 -0.26 0.52 -1.65 0.00 0.00 177.43 176.31 2c42 n VAL 642 N -2.87 0.62 0.42 2.81 0.31 0.14 -4.79 118.33 114.97 2c42 n VAL 642 Ca -0.03 0.21 -0.19 0.00 -0.01 0.00 0.00 64.34 64.32 2c42 n VAL 642 Cb 0.67 -1.31 -0.09 0.00 -0.91 0.00 0.00 33.84 32.20 2c42 n VAL 642 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2c42 h VAL 643 N 0.00 0.22 -0.57 2.52 2.07 -1.42 -2.80 116.25 116.27 2c42 h VAL 643 Ca 0.00 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.55 2c42 h VAL 643 Cb 0.26 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 2c42 h VAL 643 CO 0.00 0.00 0.25 0.50 0.02 0.00 0.00 177.57 178.35 2c42 h LYS 644 N -1.07 0.46 -0.83 1.57 3.64 -1.15 0.99 116.57 120.17 2c42 h LYS 644 Ca -0.11 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2c42 h LYS 644 Cb 0.80 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.46 2c42 h LYS 644 CO 0.17 0.30 0.50 -1.35 -2.27 0.00 0.00 179.45 176.81 2c42 h PRO 645 N 0.47 0.87 -0.39 1.90 0.11 -1.78 0.56 132.00 133.73 2c42 h PRO 645 Ca 0.27 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.25 2c42 h PRO 645 Cb 0.26 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 2c42 h PRO 645 CO -0.23 0.57 -0.06 0.82 -0.21 0.00 0.00 178.00 178.89 2c42 h ILE 646 N 0.89 1.27 0.00 4.15 2.04 -1.02 0.17 117.51 125.02 2c42 h ILE 646 Ca 0.38 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2c42 h ILE 646 Cb 0.23 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2c42 h ILE 646 CO -0.20 0.38 0.00 -0.07 0.00 0.00 0.00 178.15 178.26 2c42 h LEU 647 N 0.54 0.00 -3.62 1.44 3.38 -0.16 -2.44 115.31 114.45 2c42 h LEU 647 Ca 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2c42 h LEU 647 Cb 0.57 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 2c42 h LEU 647 CO 0.03 0.00 0.14 0.35 0.09 0.00 0.00 178.44 179.05 2c42 n THR 648 N -3.08 2.83 -2.28 0.22 -2.24 0.13 -4.92 114.28 104.93 2c42 n THR 648 Ca -0.00 -1.49 -0.16 0.00 -2.27 0.00 0.00 64.05 60.13 2c42 n THR 648 Cb 0.24 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.14 2c42 n THR 648 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c42 n GLN 649 N 0.25 -1.25 -0.14 -0.78 1.13 -0.92 -4.81 117.38 110.86 2c42 n GLN 649 Ca 0.34 0.77 0.05 0.00 -1.94 0.00 0.00 57.00 56.22 2c42 n GLN 649 Cb 1.29 -5.14 0.12 0.00 0.11 0.00 0.00 30.24 26.62 2c42 n GLN 649 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2c42 n GLN 650 N -2.51 2.55 -0.30 -1.09 1.13 0.57 -4.73 117.38 113.00 2c42 n GLN 650 Ca -0.19 -2.14 0.07 0.00 -1.94 0.00 0.00 57.00 52.80 2c42 n GLN 650 Cb 0.64 -1.34 0.28 0.00 0.11 0.00 0.00 30.24 29.92 2c42 n GLN 650 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2c42 h GLY 651 N 0.83 1.34 1.84 1.08 0.00 -1.77 -0.97 103.07 105.42 2c42 h GLY 651 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 46.95 2c42 h GLY 651 CO 0.04 0.22 0.07 -0.55 0.00 0.00 0.00 176.54 176.33 2c42 h ASP 652 N 0.93 0.00 1.04 0.19 3.32 -1.93 -0.24 116.42 119.73 2c42 h ASP 652 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2c42 h ASP 652 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2c42 h ASP 652 CO -0.18 0.00 -0.29 0.29 -1.72 0.00 0.00 179.24 177.34 2c42 n LYS 653 N -3.28 0.19 -2.30 3.56 5.02 -0.37 -4.80 118.16 116.19 2c42 n LYS 653 Ca -0.02 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 2c42 n LYS 653 Cb 0.15 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.46 2c42 n LYS 653 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c42 s LEU 654 N -3.95 4.30 0.90 -0.35 1.43 -0.10 -4.97 118.68 115.94 2c42 s LEU 654 Ca 0.10 2.00 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 2c42 s LEU 654 Cb 0.15 -3.56 0.13 0.00 0.03 0.00 0.00 46.19 42.94 2c42 s LEU 654 CO 0.64 -0.69 1.12 -2.16 0.23 0.00 0.00 176.35 175.50 2c42 s PRO 655 N 2.48 1.20 0.44 1.29 0.04 -1.26 -4.75 135.00 134.44 2c42 s PRO 655 Ca 0.61 0.39 0.15 0.00 0.04 0.00 0.00 61.00 62.20 2c42 s PRO 655 Cb -0.29 -1.84 1.07 0.00 0.04 0.00 0.00 34.50 33.48 2c42 s PRO 655 CO 0.24 -2.18 1.96 0.28 0.04 0.00 0.00 177.00 177.34 2c42 h VAL 656 N -1.49 0.85 0.00 -0.36 2.07 -1.76 -1.98 116.25 113.58 2c42 h VAL 656 Ca -0.50 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2c42 h VAL 656 Cb 1.32 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2c42 h VAL 656 CO 0.61 0.07 0.00 -1.54 0.02 0.00 0.00 177.57 176.73 2c42 n SER 657 N -4.46 0.37 -0.01 0.57 3.41 -1.26 -2.48 113.62 109.75 2c42 n SER 657 Ca 0.11 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.48 2c42 n SER 657 Cb 0.45 -0.68 0.65 0.00 -0.26 0.00 0.00 64.21 64.37 2c42 n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c42 n ALA 658 N -1.66 2.51 -2.49 7.33 0.00 -0.74 -4.86 120.51 120.60 2c42 n ALA 658 Ca 0.02 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 2c42 n ALA 658 Cb 0.15 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 2c42 n ALA 658 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2c42 s PHE 659 N -2.78 2.55 0.28 0.00 0.40 -1.04 -5.04 117.98 112.35 2c42 s PHE 659 Ca 0.21 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 55.99 2c42 s PHE 659 Cb 0.20 -1.37 -0.10 0.00 0.51 0.00 0.00 43.02 42.26 2c42 s PHE 659 CO 0.51 0.37 1.18 -1.21 0.70 0.00 0.00 175.22 176.77 2c42 s GLU 660 N -2.05 4.54 0.36 0.44 0.41 -1.26 -4.93 118.70 116.20 2c42 s GLU 660 Ca 0.18 1.94 0.06 0.00 -0.41 0.00 0.00 54.97 56.73 2c42 s GLU 660 Cb -0.11 -3.16 0.75 0.00 -1.78 0.00 0.00 34.13 29.83 2c42 s GLU 660 CO 0.10 0.05 1.95 0.00 -0.49 0.00 0.00 175.26 176.87 2c42 h ALA 661 N 3.92 1.71 -0.35 5.21 0.00 -1.94 -1.68 119.26 126.13 2c42 h ALA 661 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2c42 h ALA 661 Cb 1.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2c42 h ALA 661 CO 0.68 0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.70 2c42 n ASP 662 N -4.48 1.92 0.00 0.00 3.85 -1.26 -4.93 116.55 111.65 2c42 n ASP 662 Ca 0.11 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 2c42 n ASP 662 Cb 0.24 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.78 2c42 n ASP 662 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2c42 n GLY 663 N 1.08 1.53 3.74 6.12 0.00 -0.63 -4.83 105.19 112.20 2c42 n GLY 663 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2c42 n GLY 663 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c42 s ARG 664 N -0.04 2.72 0.11 1.61 0.52 -1.26 -4.92 118.95 117.69 2c42 s ARG 664 Ca 0.00 1.91 0.06 0.00 -0.52 0.00 0.00 55.73 57.18 2c42 s ARG 664 Cb 0.00 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.55 2c42 s ARG 664 CO 0.00 -1.42 -0.15 -0.06 0.02 0.00 0.00 175.30 173.69 2c42 s PHE 665 N -1.56 1.44 0.56 -0.53 0.40 -1.26 -4.52 117.98 112.51 2c42 s PHE 665 Ca 0.79 -0.51 -0.10 0.00 -0.60 0.00 0.00 56.93 56.52 2c42 s PHE 665 Cb -0.33 -0.77 -0.04 0.00 0.51 0.00 0.00 43.02 42.39 2c42 s PHE 665 CO 0.37 0.14 0.94 -1.25 0.70 0.00 0.00 175.22 176.12 2c42 s PRO 666 N -2.35 3.62 0.70 0.24 0.04 -1.26 -5.06 135.00 130.93 2c42 s PRO 666 Ca 0.06 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.57 2c42 s PRO 666 Cb -0.07 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.29 2c42 s PRO 666 CO 0.03 -0.41 1.08 -0.51 0.04 0.00 0.00 177.00 177.24 2c42 s LEU 667 N -4.89 2.94 -0.80 -3.56 1.02 -1.26 -4.47 118.68 107.66 2c42 s LEU 667 Ca 0.53 1.24 0.00 0.00 0.02 0.00 0.00 54.13 55.92 2c42 s LEU 667 Cb -0.11 -4.07 0.00 0.00 0.02 0.00 0.00 46.19 42.03 2c42 s LEU 667 CO 0.48 -1.33 0.00 0.61 0.02 0.00 0.00 176.35 176.14 2c42 n GLY 668 N -2.78 0.94 0.26 -3.19 0.00 0.99 -4.89 105.19 96.53 2c42 n GLY 668 Ca 0.07 -0.48 0.15 0.00 0.00 0.00 0.00 46.02 45.76 2c42 n GLY 668 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2c42 h THR 669 N 0.00 0.21 0.00 2.61 1.35 -1.72 -2.79 112.91 112.56 2c42 h THR 669 Ca -0.15 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2c42 h THR 669 Cb 0.58 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2c42 h THR 669 CO 0.23 0.07 0.00 0.77 -0.25 0.00 0.00 175.52 176.34 2c42 h SER 670 N 0.00 0.00 -0.02 5.36 4.64 -1.82 -3.09 113.55 118.61 2c42 h SER 670 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2c42 h SER 670 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2c42 h SER 670 CO 0.01 0.00 0.03 1.56 -0.87 0.00 0.00 176.83 177.56 2c42 h GLN 671 N 0.00 0.00 -0.02 4.77 1.08 -1.78 -2.87 115.11 116.30 2c42 h GLN 671 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2c42 h GLN 671 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2c42 h GLN 671 CO 0.00 0.00 -0.12 1.19 -0.95 0.00 0.00 178.83 178.95 2c42 n PHE 672 N -3.78 0.00 -0.09 2.96 3.01 -1.17 -4.63 117.46 113.76 2c42 n PHE 672 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.32 2c42 n PHE 672 Cb 0.11 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.54 2c42 n PHE 672 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2c42 h GLU 673 N 2.90 0.48 -6.99 -1.08 5.08 -1.67 -3.47 114.58 109.83 2c42 h GLU 673 Ca 0.00 -0.16 -0.45 0.00 -1.00 0.00 0.00 59.36 57.75 2c42 h GLU 673 Cb 0.68 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2c42 h GLU 673 CO 0.00 0.66 -0.74 1.63 -1.00 0.00 0.00 179.01 179.55 2c42 n LYS 674 N -4.59 -0.52 -0.27 2.33 4.76 -1.26 -4.83 118.16 113.78 2c42 n LYS 674 Ca -0.03 -0.07 -0.01 0.00 -2.87 0.00 0.00 58.31 55.33 2c42 n LYS 674 Cb 0.27 -1.76 0.19 0.00 -1.84 0.00 0.00 35.03 31.89 2c42 n LYS 674 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2c42 h ARG 675 N -1.14 1.11 -5.72 1.97 3.08 -1.91 -3.47 114.38 108.28 2c42 h ARG 675 Ca -0.52 -0.07 -0.34 0.00 0.07 0.00 0.00 59.98 59.12 2c42 h ARG 675 Cb 1.04 -0.25 0.15 0.00 0.08 0.00 0.00 29.97 30.99 2c42 h ARG 675 CO 0.41 0.74 -0.80 0.41 -1.07 0.00 0.00 179.97 179.67 2c42 n GLY 676 N -1.38 -0.48 1.02 0.04 0.00 0.66 -4.93 105.19 100.12 2c42 n GLY 676 Ca 0.09 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.41 2c42 n GLY 676 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2c42 n VAL 677 N -4.03 0.29 -2.30 1.61 0.24 -1.26 -4.97 118.33 107.91 2c42 n VAL 677 Ca -0.26 -0.64 -0.36 0.00 -2.04 0.00 0.00 64.34 61.04 2c42 n VAL 677 Cb 0.66 1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 34.22 2c42 n VAL 677 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c42 s ALA 678 N -1.64 2.81 -0.16 2.33 0.00 -1.25 -4.93 121.76 118.91 2c42 s ALA 678 Ca 0.32 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 2c42 s ALA 678 Cb 0.21 -3.35 -0.23 0.00 0.00 0.00 0.00 23.12 19.75 2c42 s ALA 678 CO 0.29 -0.67 0.33 0.82 0.00 0.00 0.00 175.76 176.53 2c42 h ILE 679 N 1.47 0.87 -4.02 0.00 2.04 -1.91 -3.43 117.51 112.52 2c42 h ILE 679 Ca -0.50 -2.27 -0.57 0.00 1.00 0.00 0.00 64.86 62.53 2c42 h ILE 679 Cb 1.25 2.41 -0.23 0.00 -0.74 0.00 0.00 36.82 39.51 2c42 h ILE 679 CO 0.58 0.55 -0.83 0.20 0.00 0.00 0.00 178.15 178.65 2c42 s ASN 680 N -6.93 2.51 0.09 1.72 0.01 -1.26 -1.44 114.94 109.64 2c42 s ASN 680 Ca -0.25 -0.62 0.01 0.00 -0.71 0.00 0.00 52.86 51.29 2c42 s ASN 680 Cb 0.06 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.51 2c42 s ASN 680 CO 0.67 0.10 -0.06 0.68 -1.51 0.00 0.00 177.10 176.99 2c42 s VAL 681 N -1.02 0.58 0.53 1.60 -7.23 0.53 -3.92 120.40 111.48 2c42 s VAL 681 Ca 0.07 -1.91 -0.19 0.00 -1.81 0.00 0.00 61.98 58.14 2c42 s VAL 681 Cb -0.09 -1.65 -0.06 0.00 0.56 0.00 0.00 36.38 35.13 2c42 s VAL 681 CO 0.03 -0.90 1.08 -2.16 -0.31 0.00 0.00 175.10 172.84 2c42 s PRO 682 N -3.86 3.50 -0.12 4.82 0.04 -1.26 -0.43 135.00 137.69 2c42 s PRO 682 Ca 0.11 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.60 2c42 s PRO 682 Cb 0.06 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2c42 s PRO 682 CO -0.06 -0.70 -0.16 -1.14 0.04 0.00 0.00 177.00 174.99 2c42 s GLN 683 N -3.42 2.36 0.16 4.56 0.74 0.39 -4.85 119.66 119.59 2c42 s GLN 683 Ca 0.69 -0.60 -0.30 0.00 0.05 0.00 0.00 55.36 55.19 2c42 s GLN 683 Cb -0.19 -2.02 -0.07 0.00 1.10 0.00 0.00 33.01 31.83 2c42 s GLN 683 CO 0.26 -0.09 1.07 -0.46 -0.55 0.00 0.00 175.29 175.52 2c42 s TRP 684 N 1.07 3.64 -0.64 1.67 -0.00 -1.26 -1.66 118.94 121.77 2c42 s TRP 684 Ca -0.04 1.64 0.05 0.00 -0.00 0.00 0.00 56.10 57.74 2c42 s TRP 684 Cb -0.15 -3.22 0.16 0.00 -0.00 0.00 0.00 33.47 30.26 2c42 s TRP 684 CO -0.04 -0.43 0.42 0.08 -0.00 0.00 0.00 176.95 176.98 2c42 s VAL 685 N -0.12 2.67 0.41 5.86 1.01 0.77 -4.98 120.40 126.03 2c42 s VAL 685 Ca 0.49 -3.91 0.25 0.00 0.00 0.00 0.00 61.98 58.81 2c42 s VAL 685 Cb -0.28 -2.79 0.44 0.00 0.00 0.00 0.00 36.38 33.75 2c42 s VAL 685 CO 0.33 -0.95 1.66 1.55 0.00 0.00 0.00 175.10 177.69 2c42 h PRO 686 N 5.75 0.18 0.00 2.72 0.13 -1.95 -1.77 132.00 137.06 2c42 h PRO 686 Ca 0.08 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2c42 h PRO 686 Cb 0.80 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 2c42 h PRO 686 CO 0.69 0.12 -0.01 0.93 -0.23 0.00 0.00 178.00 179.50 2c42 h GLU 687 N 0.19 0.00 0.00 0.86 3.07 -1.96 -2.31 114.58 114.42 2c42 h GLU 687 Ca 0.75 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.61 2c42 h GLU 687 Cb 2.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.09 2c42 h GLU 687 CO -0.42 0.01 -1.07 0.09 -1.40 0.00 0.00 179.01 176.21 2c42 n ASN 688 N -4.07 0.90 -4.73 1.42 5.03 -0.67 -4.98 115.26 108.16 2c42 n ASN 688 Ca -0.03 -0.89 -0.42 0.00 0.87 0.00 0.00 54.58 54.12 2c42 n ASN 688 Cb 0.09 1.06 -0.03 0.00 -1.02 0.00 0.00 39.78 39.89 2c42 n ASN 688 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2c42 n ILE 690 N 3.21 1.23 -3.69 0.00 -5.35 -1.26 -4.98 119.36 108.51 2c42 n ILE 690 Ca 0.09 -1.08 -0.23 0.00 -0.27 0.00 0.00 62.75 61.26 2c42 n ILE 690 Cb 0.42 0.39 0.03 0.00 -1.74 0.00 0.00 39.64 38.75 2c42 n ILE 690 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2c42 n GLN 691 N 1.18 -3.98 0.01 6.28 6.02 -1.26 -4.92 117.38 120.72 2c42 n GLN 691 Ca 0.22 0.59 0.11 0.00 -0.01 0.00 0.00 57.00 57.91 2c42 n GLN 691 Cb 0.64 -5.00 -0.11 0.00 1.02 0.00 0.00 30.24 26.80 2c42 n GLN 691 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c42 n ASN 693 N -2.15 -4.94 0.15 0.00 3.02 -1.26 -4.47 115.26 105.61 2c42 n ASN 693 Ca -0.01 0.01 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 2c42 n ASN 693 Cb 0.51 -2.49 0.40 0.00 -0.61 0.00 0.00 39.78 37.59 2c42 n ASN 693 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2c42 h GLN 694 N 0.34 0.16 -0.22 3.52 4.20 -1.93 -2.68 115.11 118.49 2c42 h GLN 694 Ca -0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2c42 h GLN 694 Cb 0.66 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2c42 h GLN 694 CO 0.01 0.35 0.11 0.00 -0.67 0.00 0.00 178.83 178.63 2c42 h ALA 696 N 0.97 1.18 -0.41 0.00 0.00 -1.83 -2.92 119.26 116.25 2c42 h ALA 696 Ca 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2c42 h ALA 696 Cb 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2c42 h ALA 696 CO -0.01 0.54 0.18 0.35 0.00 0.00 0.00 179.25 180.31 2c42 h PHE 697 N 0.68 0.56 -0.00 0.00 3.57 -1.21 -3.10 116.94 117.42 2c42 h PHE 697 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2c42 h PHE 697 Cb 0.41 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2c42 h PHE 697 CO 0.02 0.42 -0.61 1.33 -2.23 0.00 0.00 178.31 177.24 2c42 n VAL 698 N -4.40 0.00 -1.86 1.41 0.24 -0.99 -4.87 118.33 107.86 2c42 n VAL 698 Ca 0.03 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.34 61.84 2c42 n VAL 698 Cb 0.13 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 2c42 n VAL 698 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c42 n PRO 700 N 6.33 0.46 0.00 0.00 -0.02 -1.26 -3.46 135.00 137.04 2c42 n PRO 700 Ca 0.17 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2c42 n PRO 700 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2c42 n PRO 700 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2c42 n HIS 701 N -1.16 0.00 -2.40 6.00 8.25 -1.26 -4.64 115.22 120.00 2c42 n HIS 701 Ca 0.13 -0.12 -0.18 0.00 -0.26 0.00 0.00 57.72 57.29 2c42 n HIS 701 Cb 0.13 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 2c42 n HIS 701 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2c42 n SER 702 N -0.12 -5.18 -0.35 0.41 2.88 -1.22 -1.57 113.62 108.47 2c42 n SER 702 Ca 0.00 -0.04 0.03 0.00 -1.33 0.00 0.00 58.87 57.52 2c42 n SER 702 Cb 0.36 -4.23 0.08 0.00 -0.75 0.00 0.00 64.21 59.67 2c42 n SER 702 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c42 n ALA 703 N -2.03 2.48 -3.71 -1.46 0.00 -1.26 -4.72 120.51 109.81 2c42 n ALA 703 Ca -0.19 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 2c42 n ALA 703 Cb 0.65 -0.99 -0.17 0.00 0.00 0.00 0.00 19.45 18.95 2c42 n ALA 703 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2c42 s ILE 704 N -1.75 1.64 -0.32 0.00 1.01 -1.26 -0.57 121.20 119.96 2c42 s ILE 704 Ca 0.12 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2c42 s ILE 704 Cb 0.07 -1.49 0.08 0.00 0.01 0.00 0.00 42.46 41.12 2c42 s ILE 704 CO 0.08 0.47 0.01 -0.22 0.00 0.00 0.00 174.94 175.29 2c42 s LEU 705 N 1.01 4.23 0.23 2.97 2.96 0.01 -4.79 118.68 125.31 2c42 s LEU 705 Ca -0.05 -1.69 -0.30 0.00 -0.22 0.00 0.00 54.13 51.87 2c42 s LEU 705 Cb -0.15 -1.66 -0.09 0.00 0.50 0.00 0.00 46.19 44.79 2c42 s LEU 705 CO -0.03 -0.32 1.28 -2.84 -1.32 0.00 0.00 176.35 173.12 2c42 s PRO 706 N 1.09 4.41 -0.14 0.98 0.02 -1.26 -1.58 135.00 138.52 2c42 s PRO 706 Ca 0.01 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.09 2c42 s PRO 706 Cb -0.20 -3.17 -0.00 0.00 0.02 0.00 0.00 34.50 31.14 2c42 s PRO 706 CO -0.05 -0.19 -0.16 0.08 -0.33 0.00 0.00 177.00 176.35 2c42 s VAL 707 N -0.27 2.63 -0.29 3.83 1.01 0.25 -4.93 120.40 122.64 2c42 s VAL 707 Ca 0.54 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2c42 s VAL 707 Cb -0.36 -2.09 0.09 0.00 0.00 0.00 0.00 36.38 34.01 2c42 s VAL 707 CO 0.41 0.53 0.04 -0.22 0.00 0.00 0.00 175.10 175.86 2c42 s LEU 708 N 0.64 3.01 0.16 3.92 2.96 -1.26 -1.30 118.68 126.82 2c42 s LEU 708 Ca -0.09 -1.63 0.06 0.00 -0.22 0.00 0.00 54.13 52.25 2c42 s LEU 708 Cb -0.16 -1.16 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 2c42 s LEU 708 CO 0.03 -0.35 -0.12 0.00 -1.32 0.00 0.00 176.35 174.58 2c42 s ALA 709 N 1.36 1.63 0.25 5.97 0.00 -0.49 -4.65 121.76 125.84 2c42 s ALA 709 Ca 0.06 -1.52 -0.18 0.00 0.00 0.00 0.00 51.96 50.31 2c42 s ALA 709 Cb -0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 2c42 s ALA 709 CO -0.14 -0.03 0.73 0.15 0.00 0.00 0.00 175.76 176.47 2c42 s LYS 710 N -3.60 4.18 0.50 0.00 1.02 -1.26 0.02 119.74 120.60 2c42 s LYS 710 Ca 0.18 0.82 0.33 0.00 0.02 0.00 0.00 55.97 57.31 2c42 s LYS 710 Cb 0.01 -2.76 1.45 0.00 -0.52 0.00 0.00 37.83 36.01 2c42 s LYS 710 CO 0.03 0.33 1.77 1.05 -0.92 0.00 0.00 175.35 177.60 2c42 h GLU 711 N 3.10 0.10 0.00 1.68 4.11 -1.94 0.88 114.58 122.50 2c42 h GLU 711 Ca -0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2c42 h GLU 711 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2c42 h GLU 711 CO 0.65 0.06 0.00 1.05 0.07 0.00 0.00 179.01 180.85 2c42 h GLU 712 N 0.10 0.00 0.00 1.06 4.11 -1.98 -2.63 114.58 115.24 2c42 h GLU 712 Ca 0.62 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.96 2c42 h GLU 712 Cb 2.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.45 2c42 h GLU 712 CO -0.11 0.00 -1.31 0.39 0.07 0.00 0.00 179.01 178.05 2c42 n GLU 713 N -2.75 0.62 -0.18 1.06 1.02 0.30 -4.00 120.64 116.72 2c42 n GLU 713 Ca -0.00 0.14 0.05 0.00 -0.02 0.00 0.00 57.16 57.33 2c42 n GLU 713 Cb 0.19 -1.79 0.14 0.00 -0.02 0.00 0.00 31.44 29.97 2c42 n GLU 713 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2c42 n LEU 714 N -2.74 1.79 0.09 -4.62 7.99 -0.99 -4.49 117.00 114.03 2c42 n LEU 714 Ca -0.06 -0.90 -0.06 0.00 -0.01 0.00 0.00 56.01 54.98 2c42 n LEU 714 Cb 0.70 -0.24 -0.04 0.00 -0.11 0.00 0.00 43.42 43.74 2c42 n LEU 714 CO 0.42 0.43 0.51 0.58 -1.51 0.00 0.00 177.39 177.81 2c42 h VAL 715 N 1.86 0.00 -0.08 4.08 2.07 -1.69 -2.57 116.25 119.92 2c42 h VAL 715 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2c42 h VAL 715 Cb 0.47 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2c42 h VAL 715 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 2c42 n GLY 716 N -1.20 1.15 3.76 2.17 0.00 -1.26 -4.92 105.19 104.89 2c42 n GLY 716 Ca -0.04 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 2c42 n GLY 716 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 s ALA 717 N -1.39 2.92 0.72 4.61 0.00 -0.97 -4.97 121.76 122.68 2c42 s ALA 717 Ca 0.07 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 2c42 s ALA 717 Cb 0.05 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2c42 s ALA 717 CO 0.03 -0.94 0.75 -2.30 0.00 0.00 0.00 175.76 173.30 2c42 n PRO 718 N -0.69 0.41 -0.25 0.00 -0.02 -1.26 -4.87 135.00 128.31 2c42 n PRO 718 Ca 0.08 0.19 0.13 0.00 -2.02 0.00 0.00 63.50 61.88 2c42 n PRO 718 Cb 0.47 -2.02 0.40 0.00 -0.02 0.00 0.00 33.50 32.32 2c42 n PRO 718 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c42 h ALA 719 N -0.30 1.89 -0.57 3.55 0.00 -1.99 -1.69 119.26 120.14 2c42 h ALA 719 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2c42 h ALA 719 Cb 1.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2c42 h ALA 719 CO 0.45 -0.13 0.00 0.27 0.00 0.00 0.00 179.25 179.84 2c42 n ASN 720 N -4.55 5.73 -3.45 0.00 2.04 -1.26 -4.70 115.26 109.07 2c42 n ASN 720 Ca 0.17 -2.93 -0.40 0.00 -0.44 0.00 0.00 54.58 50.98 2c42 n ASN 720 Cb 0.49 -0.69 -0.02 0.00 -2.53 0.00 0.00 39.78 37.03 2c42 n ASN 720 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2c42 n PHE 721 N 0.63 2.76 -1.69 -2.53 7.35 -0.64 -4.94 117.46 118.40 2c42 n PHE 721 Ca 0.28 -3.04 -0.44 0.00 -0.76 0.00 0.00 57.45 53.49 2c42 n PHE 721 Cb 1.20 -2.46 -0.04 0.00 0.35 0.00 0.00 39.48 38.53 2c42 n PHE 721 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2c42 n THR 722 N 3.90 0.17 -4.11 -2.13 -1.04 -1.26 -4.95 114.28 104.85 2c42 n THR 722 Ca 0.69 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 62.52 2c42 n THR 722 Cb 0.28 -1.87 -0.12 0.00 -1.82 0.00 0.00 70.33 66.80 2c42 n THR 722 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2c42 s ALA 723 N 1.83 0.77 0.35 2.41 0.00 -1.26 -4.78 121.76 121.07 2c42 s ALA 723 Ca 0.80 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 52.01 2c42 s ALA 723 Cb -0.57 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 2c42 s ALA 723 CO 0.37 0.05 0.39 -0.51 0.00 0.00 0.00 175.76 176.07 2c42 s LEU 724 N -1.56 3.74 -0.24 0.00 1.43 0.21 -4.85 118.68 117.41 2c42 s LEU 724 Ca -0.07 -0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 2c42 s LEU 724 Cb -0.10 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.68 2c42 s LEU 724 CO 0.01 -0.44 0.98 -1.61 0.23 0.00 0.00 176.35 175.52 2c42 s GLU 725 N -4.10 4.22 0.17 1.70 2.02 -1.26 0.90 118.70 122.34 2c42 s GLU 725 Ca 0.44 1.22 -0.34 0.00 0.02 0.00 0.00 54.97 56.31 2c42 s GLU 725 Cb -0.07 -3.65 -0.14 0.00 0.10 0.00 0.00 34.13 30.36 2c42 s GLU 725 CO 0.29 -0.62 1.47 0.00 0.02 0.00 0.00 175.26 176.42 2c42 n ALA 726 N 6.27 0.77 -1.99 5.21 0.00 -0.40 -4.78 120.51 125.60 2c42 n ALA 726 Ca 0.10 0.45 -0.27 0.00 0.00 0.00 0.00 53.44 53.72 2c42 n ALA 726 Cb 0.47 -2.26 0.05 0.00 0.00 0.00 0.00 19.45 17.70 2c42 n ALA 726 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2c42 s LYS 727 N 0.42 2.62 0.00 0.00 -0.14 -1.26 -4.35 119.74 117.04 2c42 s LYS 727 Ca 0.77 0.02 0.00 0.00 -1.36 0.00 0.00 55.97 55.39 2c42 s LYS 727 Cb -0.73 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 2c42 s LYS 727 CO 0.43 -0.99 0.00 0.41 -0.76 0.00 0.00 175.35 174.44 2c42 n GLY 728 N -2.82 1.43 0.23 -3.33 0.00 -1.26 -4.41 105.19 95.03 2c42 n GLY 728 Ca 0.06 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 2c42 n GLY 728 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2c42 h LYS 729 N 0.00 0.73 0.00 1.61 3.64 -2.00 -2.65 116.57 117.90 2c42 h LYS 729 Ca 0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2c42 h LYS 729 Cb 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2c42 h LYS 729 CO 0.00 1.08 -0.07 0.39 -2.27 0.00 0.00 179.45 178.58 2c42 n GLU 730 N -3.98 0.06 -0.05 1.90 4.71 -1.26 -3.48 120.64 118.53 2c42 n GLU 730 Ca -0.04 0.05 0.07 0.00 -0.01 0.00 0.00 57.16 57.23 2c42 n GLU 730 Cb 0.62 -1.57 0.09 0.00 -1.01 0.00 0.00 31.44 29.57 2c42 n GLU 730 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2c42 n LEU 731 N -1.67 2.39 0.00 -4.62 4.77 -1.18 -4.85 117.00 111.84 2c42 n LEU 731 Ca 0.06 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 2c42 n LEU 731 Cb 0.36 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2c42 n LEU 731 CO 0.29 0.49 0.16 0.29 -1.33 0.00 0.00 177.39 177.29 2c42 n LYS 732 N 0.77 0.00 0.00 3.23 5.02 -1.01 -0.48 118.16 125.69 2c42 n LYS 732 Ca 0.10 0.32 0.07 0.00 -2.02 0.00 0.00 58.31 56.78 2c42 n LYS 732 Cb 0.37 -0.49 0.36 0.00 -0.02 0.00 0.00 35.03 35.25 2c42 n LYS 732 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c42 n GLY 733 N -0.94 -0.79 3.90 0.72 0.00 -1.26 -4.48 105.19 102.34 2c42 n GLY 733 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 2c42 n GLY 733 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2c42 s TYR 734 N -2.61 3.10 -0.11 1.61 1.51 0.37 -4.59 117.35 116.63 2c42 s TYR 734 Ca 0.13 0.78 0.02 0.00 -1.01 0.00 0.00 57.07 56.99 2c42 s TYR 734 Cb 0.10 -3.23 -0.01 0.00 -0.11 0.00 0.00 41.96 38.71 2c42 s TYR 734 CO 0.23 -1.42 -0.17 0.21 -1.11 0.00 0.00 175.55 173.29 2c42 s LYS 735 N -5.39 3.14 -0.04 -0.62 2.20 0.10 -1.27 119.74 117.85 2c42 s LYS 735 Ca 0.60 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 2c42 s LYS 735 Cb -0.11 -2.49 -0.03 0.00 -1.51 0.00 0.00 37.83 33.69 2c42 s LYS 735 CO 0.49 0.27 -0.09 0.12 -0.36 0.00 0.00 175.35 175.78 2c42 s PHE 736 N 0.18 2.86 -0.19 4.03 5.36 0.26 -1.39 117.98 129.08 2c42 s PHE 736 Ca -0.10 -0.04 -0.19 0.00 -0.96 0.00 0.00 56.93 55.64 2c42 s PHE 736 Cb -0.16 -1.66 0.05 0.00 -0.34 0.00 0.00 43.02 40.92 2c42 s PHE 736 CO 0.06 0.31 0.54 0.50 -1.46 0.00 0.00 175.22 175.16 2c42 s ARG 737 N -0.96 0.65 -0.44 10.12 3.52 -0.42 0.67 118.95 132.10 2c42 s ARG 737 Ca 0.13 0.70 -0.12 0.00 -0.13 0.00 0.00 55.73 56.31 2c42 s ARG 737 Cb -0.11 0.31 0.07 0.00 -1.56 0.00 0.00 34.95 33.66 2c42 s ARG 737 CO 0.03 -0.09 0.31 0.42 -0.81 0.00 0.00 175.30 175.16 2c42 s ILE 738 N 0.18 4.72 -0.23 4.11 -1.09 -1.26 0.86 121.20 128.50 2c42 s ILE 738 Ca -0.01 -1.18 -0.16 0.00 -2.23 0.00 0.00 60.65 57.07 2c42 s ILE 738 Cb -0.04 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2c42 s ILE 738 CO 0.01 -0.50 0.42 -1.58 -1.23 0.00 0.00 174.94 172.06 2c42 s GLN 739 N 1.54 4.12 -0.03 2.79 2.00 -0.61 -4.85 119.66 124.61 2c42 s GLN 739 Ca 0.03 0.20 -0.20 0.00 -2.00 0.00 0.00 55.36 53.40 2c42 s GLN 739 Cb -0.23 -3.58 -0.05 0.00 0.80 0.00 0.00 33.01 29.95 2c42 s GLN 739 CO 0.05 -0.15 0.57 0.42 -0.50 0.00 0.00 175.29 175.68 2c42 s ILE 740 N 1.67 4.98 -0.93 -2.34 -1.09 -1.26 -0.81 121.20 121.42 2c42 s ILE 740 Ca 0.19 1.19 -0.13 0.00 -2.23 0.00 0.00 60.65 59.66 2c42 s ILE 740 Cb -0.15 -3.91 0.22 0.00 -1.58 0.00 0.00 42.46 37.04 2c42 s ILE 740 CO 0.09 0.39 0.92 0.21 -1.23 0.00 0.00 174.94 175.32 2c42 s ASN 741 N 0.00 6.91 0.60 3.58 3.84 0.26 -4.73 114.94 125.41 2c42 s ASN 741 Ca 0.30 -2.87 0.36 0.00 0.21 0.00 0.00 52.86 50.86 2c42 s ASN 741 Cb -0.17 -2.24 1.89 0.00 -0.55 0.00 0.00 41.25 40.18 2c42 s ASN 741 CO 0.16 -0.56 2.20 0.71 -2.79 0.00 0.00 177.10 176.82 2c42 h THR 742 N 4.59 0.21 0.00 -5.21 1.35 -1.88 -1.44 112.91 110.54 2c42 h THR 742 Ca 0.14 -0.25 -0.16 0.00 -0.55 0.00 0.00 66.41 65.59 2c42 h THR 742 Cb 0.99 1.20 -0.03 0.00 -1.73 0.00 0.00 68.15 68.58 2c42 h THR 742 CO 0.87 0.03 -1.28 -0.07 -0.25 0.00 0.00 175.52 174.82 2c42 h LEU 743 N 0.00 0.00 0.00 3.87 3.38 -1.94 -3.34 115.31 117.28 2c42 h LEU 743 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2c42 h LEU 743 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2c42 h LEU 743 CO 0.00 0.59 -1.07 0.47 0.09 0.00 0.00 178.44 178.53 2c42 n ASP 744 N -2.96 0.65 -4.76 -0.43 8.00 -1.10 -0.25 116.55 115.71 2c42 n ASP 744 Ca -0.08 -0.42 -0.38 0.00 0.71 0.00 0.00 54.79 54.62 2c42 n ASP 744 Cb 0.84 0.93 0.03 0.00 -0.02 0.00 0.00 41.12 42.89 2c42 n ASP 744 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c42 n MET 746 N -0.84 1.29 -1.55 0.00 2.81 -1.26 -3.97 117.12 113.61 2c42 n MET 746 Ca 0.09 -1.17 -0.08 0.00 -1.81 0.00 0.00 57.70 54.73 2c42 n MET 746 Cb 0.45 -1.26 -0.02 0.00 -0.71 0.00 0.00 33.22 31.69 2c42 n MET 746 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c42 n GLY 747 N 0.90 0.66 0.30 3.03 0.00 -1.25 -4.57 105.19 104.26 2c42 n GLY 747 Ca 0.08 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 2c42 n GLY 747 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 n GLY 749 N -0.34 0.58 0.26 0.00 0.00 -1.26 -3.28 105.19 101.15 2c42 n GLY 749 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 2c42 n GLY 749 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2c42 h ASN 750 N 0.00 0.67 0.36 1.61 2.35 -1.86 -1.13 115.58 117.56 2c42 h ASN 750 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2c42 h ASN 750 Cb 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2c42 h ASN 750 CO 0.00 0.46 -0.29 0.00 -1.65 0.00 0.00 177.43 175.95 2c42 h ALA 752 N -0.11 1.36 -0.40 0.00 0.00 -1.82 -0.85 119.26 117.44 2c42 h ALA 752 Ca -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2c42 h ALA 752 Cb 0.57 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2c42 h ALA 752 CO -0.02 0.55 0.13 0.22 0.00 0.00 0.00 179.25 180.13 2c42 h ASP 753 N 1.08 0.52 0.56 0.00 3.58 -0.90 -3.12 116.42 118.13 2c42 h ASP 753 Ca 0.28 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2c42 h ASP 753 Cb -0.05 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.87 2c42 h ASP 753 CO -0.05 0.50 -1.27 0.00 -2.88 0.00 0.00 179.24 175.54 2c42 n ILE 754 N -4.35 0.31 -1.45 2.25 0.13 -0.54 -4.92 119.36 110.79 2c42 n ILE 754 Ca 0.03 -0.44 -0.55 0.00 -1.10 0.00 0.00 62.75 60.69 2c42 n ILE 754 Cb 0.17 -0.08 -0.08 0.00 -0.84 0.00 0.00 39.64 38.81 2c42 n ILE 754 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2c42 h PRO 756 N 10.40 -0.28 -6.34 0.00 0.11 -1.91 -3.45 132.00 130.54 2c42 h PRO 756 Ca -0.27 0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.21 2c42 h PRO 756 Cb 1.35 0.06 0.06 0.00 0.11 0.00 0.00 31.00 32.58 2c42 h PRO 756 CO 1.02 -0.19 0.48 -0.35 -0.21 0.00 0.00 178.00 178.76 2c42 n PRO 757 N -5.38 1.36 -0.27 1.05 -0.04 -1.26 -4.85 135.00 125.61 2c42 n PRO 757 Ca -0.01 0.49 0.08 0.00 -0.04 0.00 0.00 63.50 64.03 2c42 n PRO 757 Cb 0.34 -2.12 0.32 0.00 -0.04 0.00 0.00 33.50 31.99 2c42 n PRO 757 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2c42 h LYS 758 N 4.51 0.81 -4.39 0.54 3.64 -1.96 -2.53 116.57 117.20 2c42 h LYS 758 Ca -0.46 -0.05 -0.75 0.00 -1.27 0.00 0.00 60.65 58.12 2c42 h LYS 758 Cb 1.32 -0.18 -0.21 0.00 -0.41 0.00 0.00 32.23 32.74 2c42 h LYS 758 CO 0.78 0.54 0.86 -1.21 -2.27 0.00 0.00 179.45 178.14 2c42 s GLU 759 N -5.77 3.96 0.15 1.90 0.41 -1.26 -5.00 118.70 113.08 2c42 s GLU 759 Ca -0.11 -2.56 -0.26 0.00 -0.41 0.00 0.00 54.97 51.63 2c42 s GLU 759 Cb 0.21 -4.82 -0.15 0.00 -1.78 0.00 0.00 34.13 27.58 2c42 s GLU 759 CO 0.79 -1.57 0.52 1.63 -0.49 0.00 0.00 175.26 176.14 2c42 n LYS 760 N 4.86 0.00 0.00 1.61 4.76 -0.95 -4.73 118.16 123.71 2c42 n LYS 760 Ca 0.28 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.84 2c42 n LYS 760 Cb 0.44 -0.93 0.19 0.00 -1.84 0.00 0.00 35.03 32.89 2c42 n LYS 760 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2c42 n ALA 761 N 0.19 2.88 -3.72 7.82 0.00 -1.26 -4.81 120.51 121.62 2c42 n ALA 761 Ca 0.16 -0.59 -0.20 0.00 0.00 0.00 0.00 53.44 52.81 2c42 n ALA 761 Cb 0.20 -0.92 -0.17 0.00 0.00 0.00 0.00 19.45 18.55 2c42 n ALA 761 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c42 s LEU 762 N -2.21 0.74 -0.05 0.00 1.43 -1.26 -0.16 118.68 117.17 2c42 s LEU 762 Ca 0.27 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2c42 s LEU 762 Cb 0.20 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 46.12 2c42 s LEU 762 CO 0.42 -0.16 -0.09 -0.69 0.23 0.00 0.00 176.35 176.05 2c42 s VAL 763 N 1.62 0.86 0.13 -1.59 1.01 -0.66 -4.71 120.40 117.05 2c42 s VAL 763 Ca -0.01 -0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 2c42 s VAL 763 Cb -0.13 -0.81 -0.08 0.00 0.00 0.00 0.00 36.38 35.37 2c42 s VAL 763 CO -0.03 0.29 1.35 -0.04 0.00 0.00 0.00 175.10 176.67 2c42 s MET 764 N 0.66 4.34 0.07 2.72 -1.94 -1.26 -0.46 119.30 123.43 2c42 s MET 764 Ca -0.12 2.04 0.01 0.00 -1.71 0.00 0.00 55.69 55.91 2c42 s MET 764 Cb -0.14 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.42 2c42 s MET 764 CO 0.02 -0.38 -0.05 -0.65 -0.01 0.00 0.00 175.02 173.95 2c42 s GLN 765 N 0.83 0.66 0.44 2.03 -1.52 0.43 -4.90 119.66 117.62 2c42 s GLN 765 Ca 0.62 -1.13 -0.26 0.00 -1.95 0.00 0.00 55.36 52.65 2c42 s GLN 765 Cb -0.36 -0.05 -0.09 0.00 -0.22 0.00 0.00 33.01 32.29 2c42 s GLN 765 CO 0.32 -0.04 1.38 -2.30 -0.25 0.00 0.00 175.29 174.40 2c42 n PRO 766 N 0.42 2.17 -0.30 2.91 -0.02 -1.26 -0.34 135.00 138.57 2c42 n PRO 766 Ca -0.16 0.77 0.01 0.00 -2.02 0.00 0.00 63.50 62.10 2c42 n PRO 766 Cb 0.59 -2.55 0.14 0.00 -0.02 0.00 0.00 33.50 31.66 2c42 n PRO 766 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2c42 h LEU 767 N 2.26 0.80 -2.04 2.45 5.85 -1.53 -1.87 115.31 121.23 2c42 h LEU 767 Ca -0.50 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2c42 h LEU 767 Cb 1.28 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2c42 h LEU 767 CO 0.61 0.50 0.01 -2.24 -0.34 0.00 0.00 178.44 176.98 2c42 h ASP 768 N 0.93 0.00 0.26 1.25 3.04 -1.90 -0.35 116.42 119.65 2c42 h ASP 768 Ca 0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.16 2c42 h ASP 768 Cb 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.48 2c42 h ASP 768 CO -0.18 0.00 -0.55 0.35 -2.04 0.00 0.00 179.24 176.82 2c42 n THR 769 N -2.58 0.00 -0.03 1.15 -2.24 -0.71 -4.47 114.28 105.41 2c42 n THR 769 Ca -0.02 -0.06 -0.03 0.00 -2.27 0.00 0.00 64.05 61.66 2c42 n THR 769 Cb 0.06 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 2c42 n THR 769 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c42 n GLN 770 N -1.10 2.76 -0.12 -0.78 1.13 -0.21 -4.82 117.38 114.23 2c42 n GLN 770 Ca 0.07 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.08 2c42 n GLN 770 Cb 0.35 -1.15 0.03 0.00 0.11 0.00 0.00 30.24 29.59 2c42 n GLN 770 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2c42 h ARG 771 N 0.00 0.28 -0.87 -1.09 0.11 -1.58 -0.59 114.38 110.63 2c42 h ARG 771 Ca -0.15 -0.02 0.14 0.00 0.10 0.00 0.00 59.98 60.05 2c42 h ARG 771 Cb 1.34 -0.06 -0.07 0.00 1.11 0.00 0.00 29.97 32.29 2c42 h ARG 771 CO 0.00 0.18 0.56 -0.44 0.10 0.00 0.00 179.97 180.38 2c42 h ASP 772 N 0.29 0.63 0.10 0.08 3.32 -1.86 -1.27 116.42 117.71 2c42 h ASP 772 Ca 0.18 0.04 -0.34 0.00 0.02 0.00 0.00 57.03 56.93 2c42 h ASP 772 Cb 0.17 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2c42 h ASP 772 CO -0.19 0.32 -1.85 0.00 -1.72 0.00 0.00 179.24 175.80 2c42 n ALA 773 N -2.44 0.85 0.21 3.45 0.00 -1.10 -4.49 120.51 116.98 2c42 n ALA 773 Ca 0.17 -0.56 0.10 0.00 0.00 0.00 0.00 53.44 53.16 2c42 n ALA 773 Cb 0.47 -0.67 0.15 0.00 0.00 0.00 0.00 19.45 19.39 2c42 n ALA 773 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2c42 h GLN 774 N -0.14 0.00 0.13 0.00 1.08 -0.98 -3.20 115.11 112.01 2c42 h GLN 774 Ca -0.41 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.79 2c42 h GLN 774 Cb 1.89 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.33 2c42 h GLN 774 CO 0.03 0.08 -0.06 0.28 -0.95 0.00 0.00 178.83 178.22 2c42 h VAL 775 N 0.00 0.99 0.00 -0.54 2.07 -1.45 0.81 116.25 118.13 2c42 h VAL 775 Ca -0.00 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 2c42 h VAL 775 Cb 1.06 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2c42 h VAL 775 CO 0.01 0.12 -0.20 1.55 0.02 0.00 0.00 177.57 179.07 2c42 h PRO 776 N -0.40 0.00 -0.05 1.57 0.13 -1.80 -1.87 132.00 129.58 2c42 h PRO 776 Ca -0.02 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.89 2c42 h PRO 776 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 2c42 h PRO 776 CO 0.03 0.20 -0.86 -0.91 -0.23 0.00 0.00 178.00 176.23 2c42 h ASN 777 N 0.00 0.64 -0.53 1.44 2.35 -1.48 -2.31 115.58 115.68 2c42 h ASN 777 Ca -0.00 -0.47 -0.08 0.00 -0.55 0.00 0.00 56.30 55.21 2c42 h ASN 777 Cb 0.43 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2c42 h ASN 777 CO 0.03 1.25 0.04 0.25 -1.65 0.00 0.00 177.43 177.34 2c42 h LEU 778 N 0.32 0.89 -0.82 1.61 7.12 -0.50 0.12 115.31 124.05 2c42 h LEU 778 Ca -0.07 -0.29 0.03 0.00 0.13 0.00 0.00 57.88 57.68 2c42 h LEU 778 Cb 1.48 -0.24 -0.05 0.00 -0.53 0.00 0.00 40.66 41.33 2c42 h LEU 778 CO 0.16 0.96 0.53 -0.08 -0.13 0.00 0.00 178.44 179.87 2c42 h GLU 779 N 0.80 1.01 -0.06 1.25 4.57 -1.30 -0.07 114.58 120.78 2c42 h GLU 779 Ca 0.16 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 2c42 h GLU 779 Cb 0.48 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2c42 h GLU 779 CO 0.02 0.67 -0.10 -0.92 -1.18 0.00 0.00 179.01 177.50 2c42 h TYR 780 N 1.04 0.21 -0.47 0.92 3.20 -1.09 -3.14 116.97 117.64 2c42 h TYR 780 Ca 0.32 -0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.19 2c42 h TYR 780 Cb -0.02 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 2c42 h TYR 780 CO -0.02 0.68 0.32 0.00 -1.64 0.00 0.00 178.16 177.50 2c42 h ALA 781 N 0.50 1.99 0.00 1.82 0.00 -0.53 -0.76 119.26 122.28 2c42 h ALA 781 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2c42 h ALA 781 Cb 0.66 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2c42 h ALA 781 CO 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 179.25 179.13 2c42 h ALA 782 N 1.75 1.39 0.00 0.00 0.00 -0.96 -1.98 119.26 119.46 2c42 h ALA 782 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2c42 h ALA 782 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2c42 h ALA 782 CO -0.05 0.07 -0.44 0.00 0.00 0.00 0.00 179.25 178.83 2c42 h ARG 783 N 0.00 0.00 -6.21 0.00 3.08 -1.19 -3.45 114.38 106.60 2c42 h ARG 783 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2c42 h ARG 783 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2c42 h ARG 783 CO 0.01 0.00 0.82 0.42 -1.07 0.00 0.00 179.97 180.15 2c42 s ILE 784 N -3.16 4.28 0.16 2.04 1.01 -0.75 -4.96 121.20 119.81 2c42 s ILE 784 Ca 0.07 1.57 -0.34 0.00 0.00 0.00 0.00 60.65 61.95 2c42 s ILE 784 Cb 0.13 -4.01 -0.15 0.00 0.01 0.00 0.00 42.46 38.44 2c42 s ILE 784 CO 0.69 -0.09 1.36 -2.65 0.00 0.00 0.00 174.94 174.26 2c42 n PRO 785 N 6.07 1.57 -2.35 2.79 -0.02 -1.26 -4.90 135.00 136.90 2c42 n PRO 785 Ca 0.13 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 2c42 n PRO 785 Cb 0.45 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 2c42 n PRO 785 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c42 s VAL 786 N 0.30 4.08 -1.38 -1.45 1.01 -1.26 -4.85 120.40 116.85 2c42 s VAL 786 Ca 0.77 1.37 -0.13 0.00 0.00 0.00 0.00 61.98 63.99 2c42 s VAL 786 Cb -0.80 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 31.78 2c42 s VAL 786 CO 0.47 -0.06 2.04 0.29 0.00 0.00 0.00 175.10 177.83 2c42 n LYS 787 N 6.01 3.13 0.07 2.72 4.76 -1.26 -4.75 118.16 128.85 2c42 n LYS 787 Ca 0.13 -2.99 0.11 0.00 -2.87 0.00 0.00 58.31 52.69 2c42 n LYS 787 Cb 0.45 -3.20 0.45 0.00 -1.84 0.00 0.00 35.03 30.89 2c42 n LYS 787 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2c42 n SER 788 N 5.72 0.44 -0.55 4.39 3.41 -1.03 -3.45 113.62 122.55 2c42 n SER 788 Ca 0.48 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.78 2c42 n SER 788 Cb 0.39 -0.68 0.09 0.00 -0.26 0.00 0.00 64.21 63.75 2c42 n SER 788 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2c42 n GLU 789 N -1.95 1.39 0.06 4.33 -0.58 -1.26 -4.53 120.64 118.11 2c42 n GLU 789 Ca 0.04 -1.11 -0.20 0.00 -0.42 0.00 0.00 57.16 55.48 2c42 n GLU 789 Cb 0.28 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.57 2c42 n GLU 789 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2c42 h VAL 790 N 2.70 1.30 -2.70 2.62 2.07 -1.94 -3.47 116.25 116.82 2c42 h VAL 790 Ca 0.00 -2.37 -0.48 0.00 0.82 0.00 0.00 66.70 64.67 2c42 h VAL 790 Cb 0.76 2.50 -0.14 0.00 -1.52 0.00 0.00 31.29 32.89 2c42 h VAL 790 CO 0.00 0.72 -0.68 -0.76 0.02 0.00 0.00 177.57 176.87 2c42 s LEU 791 N -7.95 2.48 0.22 2.57 1.43 -1.26 -4.99 118.68 111.18 2c42 s LEU 791 Ca -0.09 -1.17 -0.32 0.00 -1.03 0.00 0.00 54.13 51.53 2c42 s LEU 791 Cb 0.07 -0.63 -0.13 0.00 0.03 0.00 0.00 46.19 45.53 2c42 s LEU 791 CO 0.92 -0.32 1.53 -2.65 0.23 0.00 0.00 176.35 176.05 2c42 n PRO 792 N -0.55 2.28 -0.06 1.29 -0.02 -1.26 -4.87 135.00 131.81 2c42 n PRO 792 Ca -0.06 0.82 0.07 0.00 -2.02 0.00 0.00 63.50 62.31 2c42 n PRO 792 Cb 0.63 -2.55 0.43 0.00 -0.02 0.00 0.00 33.50 31.99 2c42 n PRO 792 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2c42 h ARG 793 N 5.08 0.53 -0.63 -0.52 2.43 -1.86 -2.27 114.38 117.15 2c42 h ARG 793 Ca -0.45 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2c42 h ARG 793 Cb 1.25 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2c42 h ARG 793 CO 0.82 0.35 0.00 -0.40 -1.51 0.00 0.00 179.97 179.24 2c42 n ASP 794 N -4.47 3.80 -4.90 -3.80 3.85 -1.26 -3.17 116.55 106.60 2c42 n ASP 794 Ca 0.06 -2.26 -0.29 0.00 -0.71 0.00 0.00 54.79 51.59 2c42 n ASP 794 Cb 0.18 -0.49 -0.02 0.00 -1.35 0.00 0.00 41.12 39.44 2c42 n ASP 794 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2c42 s SER 795 N -0.87 6.41 0.08 -1.12 1.04 -0.85 -4.82 113.70 113.56 2c42 s SER 795 Ca 0.42 0.93 -0.33 0.00 0.48 0.00 0.00 55.95 57.45 2c42 s SER 795 Cb 0.26 -2.24 -0.15 0.00 0.10 0.00 0.00 66.02 63.98 2c42 s SER 795 CO 0.22 -0.40 1.51 0.25 0.98 0.00 0.00 173.24 175.81 2c42 h LEU 796 N 1.00 -1.35 -0.64 2.42 6.46 -1.91 0.24 115.31 121.54 2c42 h LEU 796 Ca -0.47 0.12 -0.10 0.00 -0.12 0.00 0.00 57.88 57.31 2c42 h LEU 796 Cb 1.20 0.46 -0.02 0.00 -0.73 0.00 0.00 40.66 41.56 2c42 h LEU 796 CO 0.63 -0.59 -0.02 0.50 -0.62 0.00 0.00 178.44 178.34 2c42 h LYS 797 N -0.87 1.05 -0.72 1.25 3.64 -1.92 -3.14 116.57 115.84 2c42 h LYS 797 Ca -0.04 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 58.93 2c42 h LYS 797 Cb 0.79 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2c42 h LYS 797 CO -0.12 1.03 0.20 0.78 -2.27 0.00 0.00 179.45 179.08 2c42 h GLY 798 N 0.98 1.23 0.78 5.01 0.00 -1.67 -2.81 103.07 106.60 2c42 h GLY 798 Ca 0.17 -0.75 0.14 0.00 0.00 0.00 0.00 47.33 46.88 2c42 h GLY 798 CO 0.03 0.70 0.47 1.48 0.00 0.00 0.00 176.54 179.23 2c42 h SER 799 N 1.09 0.34 -0.03 0.19 4.64 -0.47 0.19 113.55 119.49 2c42 h SER 799 Ca 0.23 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2c42 h SER 799 Cb 0.35 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2c42 h SER 799 CO -0.00 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.14 2c42 n GLN 800 N -4.46 1.22 -0.52 4.77 1.13 -1.06 -2.46 117.38 116.00 2c42 n GLN 800 Ca 0.13 -0.32 0.08 0.00 -1.94 0.00 0.00 57.00 54.95 2c42 n GLN 800 Cb 0.51 -1.39 0.29 0.00 0.11 0.00 0.00 30.24 29.76 2c42 n GLN 800 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2c42 n PHE 801 N -0.53 1.20 -4.24 1.08 0.99 0.67 -4.61 117.46 112.03 2c42 n PHE 801 Ca 0.18 -0.70 -0.25 0.00 -0.00 0.00 0.00 57.45 56.67 2c42 n PHE 801 Cb 0.16 -0.27 -0.08 0.00 -1.00 0.00 0.00 39.48 38.30 2c42 n PHE 801 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2c42 s GLN 802 N -2.18 2.36 -0.12 -1.08 -1.52 -1.03 -2.46 119.66 113.63 2c42 s GLN 802 Ca 0.43 -1.22 -0.30 0.00 -1.95 0.00 0.00 55.36 52.33 2c42 s GLN 802 Cb 0.31 -2.29 -0.02 0.00 -0.22 0.00 0.00 33.01 30.79 2c42 s GLN 802 CO 0.16 0.42 1.21 -1.21 -0.25 0.00 0.00 175.29 175.62 2c42 s GLU 803 N -3.21 4.29 0.00 2.91 2.02 -1.26 -5.00 118.70 118.45 2c42 s GLU 803 Ca 0.29 1.64 -0.29 0.00 0.02 0.00 0.00 54.97 56.63 2c42 s GLU 803 Cb -0.08 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 2c42 s GLU 803 CO 0.19 -0.58 0.92 -1.25 0.02 0.00 0.00 175.26 174.56 2c42 s PRO 804 N 2.87 4.55 -0.32 0.39 0.04 -1.26 -4.36 135.00 136.91 2c42 s PRO 804 Ca 0.54 1.31 0.10 0.00 0.04 0.00 0.00 61.00 62.99 2c42 s PRO 804 Cb -0.22 -3.44 0.65 0.00 0.04 0.00 0.00 34.50 31.52 2c42 s PRO 804 CO 0.17 0.01 1.70 1.28 0.04 0.00 0.00 177.00 180.20 2c42 n LEU 805 N 3.71 5.45 -3.33 -3.56 4.77 -1.26 -4.75 117.00 118.02 2c42 n LEU 805 Ca 0.04 -3.38 -0.09 0.00 -0.03 0.00 0.00 56.01 52.55 2c42 n LEU 805 Cb 0.51 -0.71 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 2c42 n LEU 805 CO 0.51 0.93 -0.06 -0.32 -1.33 0.00 0.00 177.39 177.12 2c42 s MET 806 N -3.08 0.37 0.05 3.23 1.75 -1.26 -0.59 119.30 119.77 2c42 s MET 806 Ca 0.51 0.40 0.01 0.00 -1.25 0.00 0.00 55.69 55.36 2c42 s MET 806 Cb 0.43 -0.40 -0.03 0.00 2.84 0.00 0.00 34.83 37.66 2c42 s MET 806 CO 0.09 -0.78 -0.06 -1.21 -0.65 0.00 0.00 175.02 172.41 2c42 s GLU 807 N 2.55 0.56 -1.37 4.11 2.02 -0.48 -4.75 118.70 121.34 2c42 s GLU 807 Ca 0.12 -0.91 -0.01 0.00 0.02 0.00 0.00 54.97 54.19 2c42 s GLU 807 Cb -0.14 -0.15 -0.00 0.00 0.10 0.00 0.00 34.13 33.94 2c42 s GLU 807 CO -0.21 0.00 0.50 1.19 0.02 0.00 0.00 175.26 176.76 2c42 n PHE 808 N 1.01 -1.72 -1.89 1.61 0.99 -0.61 -4.48 117.46 112.38 2c42 n PHE 808 Ca -0.20 0.76 -0.29 0.00 -0.00 0.00 0.00 57.45 57.71 2c42 n PHE 808 Cb 0.57 -3.89 0.14 0.00 -1.00 0.00 0.00 39.48 35.30 2c42 n PHE 808 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2c42 s SER 809 N -4.34 3.78 -0.06 4.37 1.04 -1.26 -4.83 113.70 112.40 2c42 s SER 809 Ca 0.02 0.55 0.04 0.00 0.48 0.00 0.00 55.95 57.05 2c42 s SER 809 Cb -0.01 -0.84 0.23 0.00 0.10 0.00 0.00 66.02 65.51 2c42 s SER 809 CO 0.87 -2.34 0.91 0.61 0.98 0.00 0.00 173.24 174.26 2c42 n GLY 810 N -3.45 1.62 3.75 7.32 0.00 -1.26 -4.92 105.19 108.25 2c42 n GLY 810 Ca 0.11 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 2c42 n GLY 810 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 s ALA 811 N -1.54 2.14 0.78 4.61 0.00 -1.26 -1.80 121.76 124.69 2c42 s ALA 811 Ca 0.15 0.47 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 2c42 s ALA 811 Cb 0.11 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.96 2c42 s ALA 811 CO 0.05 -1.85 1.18 0.00 0.00 0.00 0.00 175.76 175.14 2c42 s SER 813 N -2.36 6.60 0.00 0.00 0.15 -1.26 -1.80 113.70 115.03 2c42 s SER 813 Ca 0.71 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.92 2c42 s SER 813 Cb -0.26 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 2c42 s SER 813 CO 0.49 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2c42 n GLY 814 N 3.82 0.77 3.52 9.45 0.00 -1.26 -4.84 105.19 116.65 2c42 n GLY 814 Ca 0.14 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.64 2c42 n GLY 814 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 n GLY 816 N 1.89 -1.12 0.12 0.00 0.00 -0.65 -4.11 105.19 101.31 2c42 n GLY 816 Ca 0.18 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2c42 n GLY 816 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c42 h GLU 817 N 0.32 0.13 -0.00 1.61 5.08 -1.90 -3.39 114.58 116.43 2c42 h GLU 817 Ca 0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2c42 h GLU 817 Cb 0.38 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2c42 h GLU 817 CO 0.00 1.10 -0.07 1.79 -1.00 0.00 0.00 179.01 180.84 2c42 h THR 818 N -0.58 1.05 -0.63 1.13 1.35 -1.86 -2.91 112.91 110.47 2c42 h THR 818 Ca -0.32 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.28 2c42 h THR 818 Cb 1.57 1.12 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 2c42 h THR 818 CO -0.05 0.07 0.32 -0.65 -0.25 0.00 0.00 175.52 174.95 2c42 h PRO 819 N 0.01 0.90 -0.11 4.72 0.11 -1.77 -1.72 132.00 134.14 2c42 h PRO 819 Ca 0.00 -0.12 0.01 0.00 0.11 0.00 0.00 66.00 66.00 2c42 h PRO 819 Cb 0.12 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 2c42 h PRO 819 CO 0.01 0.71 0.02 1.88 -0.21 0.00 0.00 178.00 180.40 2c42 h TYR 820 N 0.86 0.03 -0.67 0.65 -1.99 -1.77 -2.65 116.97 111.43 2c42 h TYR 820 Ca 0.22 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.91 2c42 h TYR 820 Cb 0.10 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.80 2c42 h TYR 820 CO -0.00 0.01 0.25 0.28 -0.00 0.00 0.00 178.16 178.70 2c42 h VAL 821 N 0.06 1.25 -0.44 -2.88 2.07 -1.48 -1.89 116.25 112.94 2c42 h VAL 821 Ca 0.05 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.81 2c42 h VAL 821 Cb 0.04 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 2c42 h VAL 821 CO -0.06 0.31 0.21 -0.09 0.02 0.00 0.00 177.57 177.96 2c42 h ARG 822 N 0.96 0.41 -0.75 1.57 2.43 -1.19 -2.01 114.38 115.80 2c42 h ARG 822 Ca 0.22 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2c42 h ARG 822 Cb 0.24 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2c42 h ARG 822 CO -0.01 0.27 0.27 0.28 -1.51 0.00 0.00 179.97 179.26 2c42 h VAL 823 N 0.42 1.26 -0.86 0.20 2.07 -1.22 -2.45 116.25 115.67 2c42 h VAL 823 Ca 0.19 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.91 2c42 h VAL 823 Cb 0.12 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 2c42 h VAL 823 CO -0.15 0.34 0.54 0.40 0.02 0.00 0.00 177.57 178.73 2c42 h ILE 824 N 1.11 1.07 0.00 4.57 2.04 -0.76 -1.07 117.51 124.47 2c42 h ILE 824 Ca 0.25 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 2c42 h ILE 824 Cb 0.26 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2c42 h ILE 824 CO -0.01 0.18 -0.29 0.71 0.00 0.00 0.00 178.15 178.74 2c42 h THR 825 N 1.00 0.91 0.00 -0.27 1.35 -0.94 -1.11 112.91 113.85 2c42 h THR 825 Ca 0.36 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2c42 h THR 825 Cb 0.12 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2c42 h THR 825 CO -0.15 0.29 0.00 1.56 -0.25 0.00 0.00 175.52 176.96 2c42 h GLN 826 N 0.00 0.00 0.00 4.72 4.20 -0.77 0.15 115.11 123.40 2c42 h GLN 826 Ca -0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.40 2c42 h GLN 826 Cb 0.64 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.37 2c42 h GLN 826 CO 0.04 0.00 -2.15 1.28 -0.67 0.00 0.00 178.83 177.33 2c42 n LEU 827 N -2.53 1.39 0.00 1.46 4.32 -0.79 -4.78 117.00 116.07 2c42 n LEU 827 Ca 0.02 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 2c42 n LEU 827 Cb 0.29 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 2c42 n LEU 827 CO 0.24 0.61 0.12 0.49 -1.22 0.00 0.00 177.39 177.63 2c42 n PHE 828 N -2.84 0.00 -0.35 -1.77 3.01 -0.49 -4.92 117.46 110.10 2c42 n PHE 828 Ca -0.31 -0.01 0.13 0.00 1.01 0.00 0.00 57.45 58.26 2c42 n PHE 828 Cb 0.97 -0.00 0.26 0.00 -0.01 0.00 0.00 39.48 40.69 2c42 n PHE 828 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c42 n GLY 829 N -0.01 -1.42 0.03 1.37 0.00 0.51 -1.43 105.19 104.23 2c42 n GLY 829 Ca 0.00 0.99 0.07 0.00 0.00 0.00 0.00 46.02 47.08 2c42 n GLY 829 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c42 n GLU 830 N -5.52 0.04 -1.01 1.61 0.00 -1.26 -2.54 120.64 111.96 2c42 n GLU 830 Ca 0.22 0.34 0.03 0.00 0.00 0.00 0.00 57.16 57.75 2c42 n GLU 830 Cb 0.70 -1.58 0.04 0.00 0.00 0.00 0.00 31.44 30.60 2c42 n GLU 830 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2c42 n ARG 831 N -1.66 0.21 -4.12 3.44 1.85 -0.51 -4.31 116.66 111.56 2c42 n ARG 831 Ca 0.02 -1.80 -0.29 0.00 -1.00 0.00 0.00 57.85 54.78 2c42 n ARG 831 Cb 0.14 -0.39 -0.07 0.00 -1.05 0.00 0.00 32.46 31.09 2c42 n ARG 831 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2c42 s MET 832 N -0.43 2.63 0.05 2.89 0.23 -1.12 -0.61 119.30 122.94 2c42 s MET 832 Ca 0.23 -0.87 0.04 0.00 -1.03 0.00 0.00 55.69 54.06 2c42 s MET 832 Cb 0.25 -2.55 -0.04 0.00 -1.53 0.00 0.00 34.83 30.96 2c42 s MET 832 CO -0.09 0.52 -0.02 -0.06 -2.03 0.00 0.00 175.02 173.34 2c42 s PHE 833 N -1.47 2.97 -0.11 3.16 0.40 -0.22 -1.56 117.98 121.15 2c42 s PHE 833 Ca 0.27 -0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.58 2c42 s PHE 833 Cb -0.11 -1.58 0.03 0.00 0.51 0.00 0.00 43.02 41.87 2c42 s PHE 833 CO 0.20 0.45 -0.02 0.42 0.70 0.00 0.00 175.22 176.97 2c42 s ILE 834 N -1.18 0.62 -0.44 0.64 1.01 0.35 -1.02 121.20 121.18 2c42 s ILE 834 Ca 0.22 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.60 2c42 s ILE 834 Cb -0.11 -0.80 0.06 0.00 0.01 0.00 0.00 42.46 41.62 2c42 s ILE 834 CO 0.14 0.21 0.32 0.00 0.00 0.00 0.00 174.94 175.60 2c42 s ALA 835 N 1.86 3.44 -0.23 9.38 0.00 0.21 -1.35 121.76 135.07 2c42 s ALA 835 Ca 0.04 -2.00 -0.08 0.00 0.00 0.00 0.00 51.96 49.91 2c42 s ALA 835 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 2c42 s ALA 835 CO -0.07 -1.62 0.10 1.21 0.00 0.00 0.00 175.76 175.39 2c42 s ASN 836 N 2.19 5.58 0.57 0.00 3.84 0.16 -0.95 114.94 126.32 2c42 s ASN 836 Ca 0.04 -0.04 -0.18 0.00 0.21 0.00 0.00 52.86 52.88 2c42 s ASN 836 Cb -0.22 -2.00 -0.04 0.00 -0.55 0.00 0.00 41.25 38.43 2c42 s ASN 836 CO 0.06 0.04 1.13 0.00 -2.79 0.00 0.00 177.10 175.54 2c42 s ALA 837 N 1.21 2.64 0.47 1.71 0.00 0.33 -4.05 121.76 124.06 2c42 s ALA 837 Ca 0.05 0.78 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 2c42 s ALA 837 Cb -0.14 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 2c42 s ALA 837 CO 0.04 -0.90 1.33 0.99 0.00 0.00 0.00 175.76 177.22 2c42 s THR 838 N -1.88 2.41 -5.00 0.00 2.01 -1.18 -4.13 115.64 107.87 2c42 s THR 838 Ca 0.72 0.34 0.00 0.00 0.31 0.00 0.00 61.69 63.05 2c42 s THR 838 Cb -0.24 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.09 2c42 s THR 838 CO 0.30 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 2c42 n GLY 839 N 0.63 -0.41 0.27 4.40 0.00 -1.26 -4.82 105.19 103.99 2c42 n GLY 839 Ca 0.07 -1.47 0.03 0.00 0.00 0.00 0.00 46.02 44.64 2c42 n GLY 839 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 h SER 841 N 0.50 0.00 1.02 0.00 4.64 -1.91 0.15 113.55 117.95 2c42 h SER 841 Ca 0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.59 2c42 h SER 841 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2c42 h SER 841 CO -0.33 0.06 -1.04 0.77 -0.87 0.00 0.00 176.83 175.42 2c42 h SER 842 N 0.00 0.00 0.07 4.97 4.64 -1.25 -2.34 113.55 119.64 2c42 h SER 842 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2c42 h SER 842 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2c42 h SER 842 CO 0.01 0.35 -0.51 0.40 -0.87 0.00 0.00 176.83 176.21 2c42 h ILE 843 N 0.00 1.58 0.00 0.95 1.08 0.22 -0.62 117.51 120.72 2c42 h ILE 843 Ca -0.08 -2.43 -0.01 0.00 -0.39 0.00 0.00 64.86 61.96 2c42 h ILE 843 Cb 1.34 3.22 -0.00 0.00 -3.07 0.00 0.00 36.82 38.30 2c42 h ILE 843 CO 0.03 0.65 -0.03 4.11 -0.69 0.00 0.00 178.15 182.22 2c42 h TRP 844 N -0.68 0.00 -0.03 1.37 5.08 -0.94 -2.89 115.95 117.87 2c42 h TRP 844 Ca -0.10 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 59.67 2c42 h TRP 844 Cb 1.35 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.51 2c42 h TRP 844 CO 0.23 0.03 -0.84 0.78 -1.28 0.00 0.00 178.44 177.35 2c42 h GLY 845 N 3.50 0.42 -5.02 11.11 0.00 -1.45 -3.35 103.07 108.28 2c42 h GLY 845 Ca -0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 47.33 46.41 2c42 h GLY 845 CO 0.00 0.60 -0.54 0.00 0.00 0.00 0.00 176.54 176.60 2c42 n ALA 846 N -2.52 1.96 -2.57 3.60 0.00 -0.24 -4.28 120.51 116.46 2c42 n ALA 846 Ca -0.05 -1.69 -0.43 0.00 0.00 0.00 0.00 53.44 51.27 2c42 n ALA 846 Cb 0.78 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 2c42 n ALA 846 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2c42 s SER 847 N -1.69 6.52 0.36 0.00 0.01 -1.09 -4.94 113.70 112.87 2c42 s SER 847 Ca 0.21 0.18 -0.26 0.00 1.31 0.00 0.00 55.95 57.39 2c42 s SER 847 Cb 0.42 -2.46 -0.12 0.00 0.21 0.00 0.00 66.02 64.06 2c42 s SER 847 CO -0.07 -1.07 1.11 0.00 0.41 0.00 0.00 173.24 173.63 2c42 n ALA 848 N 7.23 0.49 -0.93 1.44 0.00 -1.26 -1.08 120.51 126.41 2c42 n ALA 848 Ca 0.07 0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.88 2c42 n ALA 848 Cb 0.49 -2.13 0.40 0.00 0.00 0.00 0.00 19.45 18.20 2c42 n ALA 848 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2c42 n PRO 849 N 0.42 4.79 -3.15 0.00 -0.04 -1.26 -5.06 135.00 130.70 2c42 n PRO 849 Ca 0.08 -3.17 -0.43 0.00 -0.04 0.00 0.00 63.50 59.94 2c42 n PRO 849 Cb 0.36 -2.27 -0.07 0.00 -0.04 0.00 0.00 33.50 31.49 2c42 n PRO 849 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2c42 s SER 850 N -0.83 6.25 -0.41 3.54 0.15 -0.24 -4.79 113.70 117.36 2c42 s SER 850 Ca 0.55 -0.72 -0.06 0.00 0.70 0.00 0.00 55.95 56.42 2c42 s SER 850 Cb 0.42 -2.30 0.09 0.00 -1.71 0.00 0.00 66.02 62.53 2c42 s SER 850 CO 0.16 -0.84 0.22 -0.04 1.20 0.00 0.00 173.24 173.94 2c42 s MET 851 N 2.67 2.34 0.26 5.44 -1.94 -1.26 -3.87 119.30 122.94 2c42 s MET 851 Ca 0.17 -1.62 0.10 0.00 -1.71 0.00 0.00 55.69 52.63 2c42 s MET 851 Cb -0.17 -3.66 0.32 0.00 2.01 0.00 0.00 34.83 33.32 2c42 s MET 851 CO 0.14 -1.00 1.59 -1.00 -0.01 0.00 0.00 175.02 174.74 2c42 h PRO 852 N 8.23 0.02 -6.84 2.03 0.13 -1.79 -2.80 132.00 130.99 2c42 h PRO 852 Ca -0.19 -0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.41 2c42 h PRO 852 Cb 1.07 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.26 2c42 h PRO 852 CO 0.73 0.65 0.65 0.71 -0.23 0.00 0.00 178.00 180.51 2c42 s TYR 853 N -3.57 3.08 0.27 1.56 1.51 -1.26 -1.38 117.35 117.56 2c42 s TYR 853 Ca -0.01 1.35 0.02 0.00 -1.01 0.00 0.00 57.07 57.42 2c42 s TYR 853 Cb 0.12 -3.68 -0.04 0.00 -0.11 0.00 0.00 41.96 38.25 2c42 s TYR 853 CO 0.77 -1.94 0.16 -1.59 -1.11 0.00 0.00 175.55 171.84 2c42 s LYS 854 N -1.42 1.47 0.27 -0.62 -2.85 0.24 -0.00 119.74 116.82 2c42 s LYS 854 Ca 0.51 -1.82 0.03 0.00 -1.00 0.00 0.00 55.97 53.69 2c42 s LYS 854 Cb -0.39 0.06 -0.03 0.00 -2.06 0.00 0.00 37.83 35.40 2c42 s LYS 854 CO 0.50 -0.44 0.43 0.95 0.10 0.00 0.00 175.35 176.89 2c42 s THR 855 N -3.78 5.20 0.24 3.79 -4.23 -1.26 -4.40 115.64 111.20 2c42 s THR 855 Ca 0.38 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 60.14 2c42 s THR 855 Cb 0.06 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 70.11 2c42 s THR 855 CO 0.17 -0.39 0.32 -0.46 -0.54 0.00 0.00 174.62 173.73 2c42 n ASN 856 N -1.43 0.13 0.30 3.99 0.23 0.22 -4.85 115.26 113.86 2c42 n ASN 856 Ca -0.07 -1.18 0.20 0.00 -0.53 0.00 0.00 54.58 53.00 2c42 n ASN 856 Cb 0.56 -0.24 1.05 0.00 -2.08 0.00 0.00 39.78 39.08 2c42 n ASN 856 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2c42 h ARG 857 N 0.00 0.00 -0.70 -3.83 0.11 -2.00 -1.31 114.38 106.65 2c42 h ARG 857 Ca -0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2c42 h ARG 857 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2c42 h ARG 857 CO 0.08 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.43 2c42 n LEU 858 N -2.95 3.74 -0.03 0.08 4.77 -1.26 -4.93 117.00 116.41 2c42 n LEU 858 Ca -0.02 -1.87 -0.00 0.00 -0.03 0.00 0.00 56.01 54.09 2c42 n LEU 858 Cb 0.10 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2c42 n LEU 858 CO 0.20 0.93 -0.00 0.61 -1.33 0.00 0.00 177.39 177.80 2c42 n GLY 859 N 1.61 0.47 3.90 -0.72 0.00 -0.49 -5.03 105.19 104.93 2c42 n GLY 859 Ca 0.23 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2c42 n GLY 859 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c42 s GLN 860 N -0.59 3.53 0.01 1.61 -0.21 -1.26 -4.77 119.66 117.98 2c42 s GLN 860 Ca 0.00 -0.21 -0.30 0.00 0.02 0.00 0.00 55.36 54.87 2c42 s GLN 860 Cb 0.00 -3.02 0.11 0.00 1.00 0.00 0.00 33.01 31.10 2c42 s GLN 860 CO 0.00 0.60 1.23 0.20 -2.12 0.00 0.00 175.29 175.21 2c42 s GLY 861 N -2.12 -0.39 0.13 3.09 0.00 -1.26 0.69 107.32 107.46 2c42 s GLY 861 Ca 0.33 0.62 -0.32 0.00 0.00 0.00 0.00 44.72 45.35 2c42 s GLY 861 CO 0.22 0.11 1.80 -1.05 0.00 0.00 0.00 173.10 174.17 2c42 n PRO 862 N -0.48 2.69 -2.78 2.90 -0.02 -1.05 -4.69 135.00 131.56 2c42 n PRO 862 Ca -0.08 0.98 -0.43 0.00 -2.02 0.00 0.00 63.50 61.95 2c42 n PRO 862 Cb 0.62 -2.85 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 2c42 n PRO 862 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c42 s ALA 863 N 2.39 3.16 -0.12 3.55 0.00 -0.60 -4.94 121.76 125.20 2c42 s ALA 863 Ca 0.81 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 2c42 s ALA 863 Cb -0.52 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 18.81 2c42 s ALA 863 CO 0.37 -2.32 0.06 -0.46 0.00 0.00 0.00 175.76 173.41 2c42 s TRP 864 N 4.06 3.33 -0.16 0.00 -0.00 -1.26 -0.50 118.94 124.42 2c42 s TRP 864 Ca 0.35 0.29 -0.14 0.00 -0.00 0.00 0.00 56.10 56.60 2c42 s TRP 864 Cb -0.11 -1.89 0.04 0.00 -0.00 0.00 0.00 33.47 31.51 2c42 s TRP 864 CO 0.23 0.51 0.41 0.20 -0.00 0.00 0.00 176.95 178.30 2c42 s GLY 865 N -0.71 -0.31 -0.24 5.86 0.00 -0.46 -4.97 107.32 106.49 2c42 s GLY 865 Ca 0.12 1.19 -0.02 0.00 0.00 0.00 0.00 44.72 46.01 2c42 s GLY 865 CO 0.02 1.05 -0.06 0.21 0.00 0.00 0.00 173.10 174.32 2c42 s ASN 866 N 0.30 4.28 0.00 1.64 2.47 -1.26 -0.67 114.94 121.70 2c42 s ASN 866 Ca -0.01 -0.83 0.00 0.00 0.42 0.00 0.00 52.86 52.44 2c42 s ASN 866 Cb -0.03 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 38.10 2c42 s ASN 866 CO -0.00 -0.12 0.00 -0.24 -3.72 0.00 0.00 177.10 173.02 2c42 n SER 867 N 4.68 0.00 -3.12 -4.21 2.88 -1.26 -5.01 113.62 107.57 2c42 n SER 867 Ca -0.17 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.19 2c42 n SER 867 Cb 0.47 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.88 2c42 n SER 867 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2c42 n LEU 868 N -0.32 0.00 0.05 2.46 4.77 -1.26 -4.97 117.00 117.72 2c42 n LEU 868 Ca 0.00 -2.41 -0.20 0.00 -0.03 0.00 0.00 56.01 53.37 2c42 n LEU 868 Cb 0.00 0.95 -0.12 0.00 -2.33 0.00 0.00 43.42 41.93 2c42 n LEU 868 CO 0.00 -0.38 0.08 0.15 -1.33 0.00 0.00 177.39 175.91 2c42 h PHE 869 N 1.62 0.88 0.00 -1.77 3.57 -1.92 -3.14 116.94 116.18 2c42 h PHE 869 Ca -0.22 -0.51 0.00 0.00 3.53 0.00 0.00 57.97 60.77 2c42 h PHE 869 Cb 0.93 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2c42 h PHE 869 CO 0.00 1.35 -0.06 1.05 -2.23 0.00 0.00 178.31 178.41 2c42 h GLU 870 N 0.17 0.00 -0.21 1.11 9.09 -1.95 -3.39 114.58 119.39 2c42 h GLU 870 Ca -0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.28 2c42 h GLU 870 Cb 1.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.75 2c42 h GLU 870 CO 0.19 0.00 0.00 -0.40 0.05 0.00 0.00 179.01 178.85 2c42 n ASP 871 N -2.65 3.31 -0.16 3.06 3.85 -1.26 -4.33 116.55 118.37 2c42 n ASP 871 Ca 0.05 -2.78 -0.03 0.00 -0.71 0.00 0.00 54.79 51.31 2c42 n ASP 871 Cb 0.48 -0.43 0.03 0.00 -1.35 0.00 0.00 41.12 39.85 2c42 n ASP 871 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2c42 h ALA 872 N 1.40 0.32 -0.18 2.12 0.00 -1.76 0.12 119.26 121.28 2c42 h ALA 872 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2c42 h ALA 872 Cb 1.17 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2c42 h ALA 872 CO 0.13 -0.45 0.11 0.00 0.00 0.00 0.00 179.25 179.04 2c42 h ALA 873 N 1.48 0.24 -0.60 0.00 0.00 -1.89 -1.00 119.26 117.48 2c42 h ALA 873 Ca 0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2c42 h ALA 873 Cb 0.37 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2c42 h ALA 873 CO -0.51 -0.26 0.20 0.93 0.00 0.00 0.00 179.25 179.61 2c42 h GLU 874 N 0.22 0.90 -0.06 0.00 3.07 -1.71 0.11 114.58 117.11 2c42 h GLU 874 Ca 0.07 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2c42 h GLU 874 Cb 0.02 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 2c42 h GLU 874 CO -0.01 0.76 0.03 -0.92 -1.40 0.00 0.00 179.01 177.47 2c42 h TYR 875 N 0.87 0.08 -0.63 4.33 3.20 -0.48 0.06 116.97 124.40 2c42 h TYR 875 Ca 0.20 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2c42 h TYR 875 Cb 0.23 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2c42 h TYR 875 CO 0.02 0.12 0.19 0.78 -1.64 0.00 0.00 178.16 177.62 2c42 h GLY 876 N 0.02 1.04 1.07 1.82 0.00 -0.80 -2.01 103.07 104.20 2c42 h GLY 876 Ca 0.02 -0.59 0.02 0.00 0.00 0.00 0.00 47.33 46.78 2c42 h GLY 876 CO -0.00 0.56 0.59 -2.75 0.00 0.00 0.00 176.54 174.93 2c42 h PHE 877 N 0.93 1.11 -0.61 5.60 3.57 -0.30 -1.62 116.94 125.62 2c42 h PHE 877 Ca 0.21 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 2c42 h PHE 877 Cb 0.28 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2c42 h PHE 877 CO 0.02 0.67 0.08 0.78 -2.23 0.00 0.00 178.31 177.63 2c42 h GLY 878 N 1.17 1.08 1.01 2.40 0.00 -0.28 -0.52 103.07 107.93 2c42 h GLY 878 Ca 0.34 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2c42 h GLY 878 CO -0.09 0.66 0.47 -0.33 0.00 0.00 0.00 176.54 177.25 2c42 h MET 879 N 0.94 1.06 -0.56 4.80 2.86 -0.91 -1.59 114.93 121.53 2c42 h MET 879 Ca 0.19 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2c42 h MET 879 Cb 0.43 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 2c42 h MET 879 CO 0.01 0.75 0.27 -0.97 1.06 0.00 0.00 176.91 178.03 2c42 h ASN 880 N 1.07 0.74 -0.73 1.22 -1.24 -0.77 -1.90 115.58 113.97 2c42 h ASN 880 Ca 0.28 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 2c42 h ASN 880 Cb -0.04 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.79 2c42 h ASN 880 CO -0.05 0.66 0.43 0.24 -1.29 0.00 0.00 177.43 177.42 2c42 h MET 881 N 0.76 0.99 -0.10 6.67 2.86 -0.64 -1.24 114.93 124.23 2c42 h MET 881 Ca 0.19 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2c42 h MET 881 Cb 0.12 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 2c42 h MET 881 CO -0.02 0.71 0.06 1.03 1.06 0.00 0.00 176.91 179.75 2c42 h SER 882 N 0.99 0.12 -0.98 1.22 0.87 -1.00 -0.46 113.55 114.31 2c42 h SER 882 Ca 0.26 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2c42 h SER 882 Cb -0.02 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 2c42 h SER 882 CO -0.05 0.10 0.64 0.24 -0.53 0.00 0.00 176.83 177.23 2c42 h MET 883 N 0.12 1.31 -0.10 2.24 2.07 -1.09 0.78 114.93 120.26 2c42 h MET 883 Ca 0.04 -0.09 -0.00 0.00 -2.07 0.00 0.00 59.70 57.57 2c42 h MET 883 Cb -0.00 -0.29 -0.00 0.00 -1.87 0.00 0.00 31.60 29.44 2c42 h MET 883 CO -0.01 0.88 0.04 0.35 1.07 0.00 0.00 176.91 179.24 2c42 h PHE 884 N 1.34 0.15 -0.19 -0.22 3.57 -0.88 0.49 116.94 121.21 2c42 h PHE 884 Ca 0.36 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 2c42 h PHE 884 Cb -0.13 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2c42 h PHE 884 CO 0.00 0.24 0.07 0.00 -2.23 0.00 0.00 178.31 176.39 2c42 h ALA 885 N 0.90 0.25 -0.26 2.41 0.00 -0.72 -1.41 119.26 120.42 2c42 h ALA 885 Ca 0.03 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2c42 h ALA 885 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2c42 h ALA 885 CO -0.00 -0.16 -0.47 0.00 0.00 0.00 0.00 179.25 178.61 2c42 h ARG 886 N 0.15 0.70 0.00 0.00 3.08 -0.83 -2.19 114.38 115.29 2c42 h ARG 886 Ca 0.06 -0.40 -0.11 0.00 0.07 0.00 0.00 59.98 59.60 2c42 h ARG 886 Cb 0.18 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2c42 h ARG 886 CO -0.00 1.02 -0.53 0.00 -1.07 0.00 0.00 179.97 179.38 2c42 h ARG 887 N 0.56 0.00 -0.49 0.04 3.08 -0.90 -1.15 114.38 115.52 2c42 h ARG 887 Ca 0.03 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 2c42 h ARG 887 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 2c42 h ARG 887 CO 0.10 0.53 -0.16 1.15 -1.07 0.00 0.00 179.97 180.52 2c42 h THR 888 N 0.00 1.27 -0.25 2.04 2.02 -1.15 0.74 112.91 117.58 2c42 h THR 888 Ca -0.01 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.87 2c42 h THR 888 Cb 1.17 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 2c42 h THR 888 CO 0.07 0.45 0.16 -0.74 0.37 0.00 0.00 175.52 175.83 2c42 h HIS 889 N 0.83 0.30 -0.35 3.16 -0.00 -1.04 -0.10 115.15 117.94 2c42 h HIS 889 Ca 0.12 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.52 2c42 h HIS 889 Cb 0.73 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 28.01 2c42 h HIS 889 CO 0.05 0.18 0.18 1.25 -0.00 0.00 0.00 177.93 179.60 2c42 h LEU 890 N 0.32 0.27 -1.39 0.26 5.85 -0.86 -1.54 115.31 118.22 2c42 h LEU 890 Ca 0.09 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2c42 h LEU 890 Cb -0.03 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2c42 h LEU 890 CO -0.03 0.20 0.22 0.00 -0.34 0.00 0.00 178.44 178.50 2c42 h ALA 891 N 1.17 1.53 -0.40 1.25 0.00 -0.46 0.06 119.26 122.42 2c42 h ALA 891 Ca 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2c42 h ALA 891 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2c42 h ALA 891 CO -0.09 0.38 0.05 0.22 0.00 0.00 0.00 179.25 179.81 2c42 h ASP 892 N 0.64 0.65 -0.57 0.00 3.58 -0.38 -1.34 116.42 118.99 2c42 h ASP 892 Ca 0.16 -0.27 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 2c42 h ASP 892 Cb 0.06 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 2c42 h ASP 892 CO -0.02 0.75 0.17 -0.07 -2.88 0.00 0.00 179.24 177.19 2c42 h LEU 893 N 0.52 0.84 -0.43 2.28 3.38 -0.59 -2.01 115.31 119.30 2c42 h LEU 893 Ca 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2c42 h LEU 893 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2c42 h LEU 893 CO 0.01 0.84 0.27 0.00 0.09 0.00 0.00 178.44 179.64 2c42 h ALA 894 N 1.04 0.54 -0.61 1.53 0.00 -0.82 0.51 119.26 121.46 2c42 h ALA 894 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2c42 h ALA 894 Cb 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2c42 h ALA 894 CO -0.00 0.03 0.34 0.00 0.00 0.00 0.00 179.25 179.62 2c42 h ALA 895 N 1.13 0.78 -0.58 0.00 0.00 -1.13 -2.26 119.26 117.20 2c42 h ALA 895 Ca 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2c42 h ALA 895 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2c42 h ALA 895 CO -0.03 0.29 0.19 -0.22 0.00 0.00 0.00 179.25 179.48 2c42 h LYS 896 N 0.83 0.87 0.00 0.00 3.64 -0.89 -2.32 116.57 118.70 2c42 h LYS 896 Ca 0.22 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2c42 h LYS 896 Cb 0.02 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2c42 h LYS 896 CO -0.04 0.74 -0.14 0.00 -2.27 0.00 0.00 179.45 177.75 2c42 h ALA 897 N 1.36 1.16 0.00 5.00 0.00 -0.35 -1.96 119.26 124.47 2c42 h ALA 897 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2c42 h ALA 897 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2c42 h ALA 897 CO -0.01 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.69 2c42 n LEU 898 N -3.48 0.55 -1.10 0.00 4.77 -0.87 -1.71 117.00 115.16 2c42 n LEU 898 Ca -0.01 0.65 0.11 0.00 -0.03 0.00 0.00 56.01 56.72 2c42 n LEU 898 Cb 0.29 -0.58 0.22 0.00 -2.33 0.00 0.00 43.42 41.02 2c42 n LEU 898 CO 0.30 -0.54 0.69 -0.62 -1.33 0.00 0.00 177.39 175.89 2c42 n GLU 899 N -2.12 2.48 -1.17 3.23 1.02 -0.74 -4.96 120.64 118.38 2c42 n GLU 899 Ca 0.02 -2.28 -0.04 0.00 -0.02 0.00 0.00 57.16 54.84 2c42 n GLU 899 Cb 0.20 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.16 2c42 n GLU 899 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2c42 n SER 900 N 1.37 0.30 -1.78 1.62 3.41 -0.69 -4.99 113.62 112.86 2c42 n SER 900 Ca 0.19 -1.23 -0.12 0.00 -0.26 0.00 0.00 58.87 57.45 2c42 n SER 900 Cb 0.57 -0.09 0.16 0.00 -0.26 0.00 0.00 64.21 64.59 2c42 n SER 900 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2c42 n ASP 901 N -2.93 3.70 -4.70 4.04 3.85 -1.26 -4.97 116.55 114.29 2c42 n ASP 901 Ca 0.03 -3.02 -0.35 0.00 -0.71 0.00 0.00 54.79 50.73 2c42 n ASP 901 Cb 0.10 -0.71 0.10 0.00 -1.35 0.00 0.00 41.12 39.25 2c42 n ASP 901 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2c42 n ALA 902 N -0.42 0.48 -0.70 2.12 0.00 -1.26 -4.95 120.51 115.79 2c42 n ALA 902 Ca 0.37 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 2c42 n ALA 902 Cb 1.24 -2.26 0.18 0.00 0.00 0.00 0.00 19.45 18.61 2c42 n ALA 902 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2c42 s SER 903 N -1.70 2.53 0.25 0.00 1.04 -1.26 -4.75 113.70 109.81 2c42 s SER 903 Ca 0.78 2.00 -0.05 0.00 0.48 0.00 0.00 55.95 59.15 2c42 s SER 903 Cb -0.34 -2.50 0.27 0.00 0.10 0.00 0.00 66.02 63.56 2c42 s SER 903 CO 0.46 -3.31 1.85 1.23 0.98 0.00 0.00 173.24 174.45 2c42 h GLY 904 N -2.01 1.22 0.96 7.32 0.00 -1.99 -1.36 103.07 107.20 2c42 h GLY 904 Ca -0.48 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.26 2c42 h GLY 904 CO 0.44 0.56 0.18 -0.55 0.00 0.00 0.00 176.54 177.17 2c42 h ASP 905 N 1.14 0.40 -0.10 0.19 3.45 -2.00 -1.33 116.42 118.18 2c42 h ASP 905 Ca 0.28 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.65 2c42 h ASP 905 Cb 0.09 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 38.75 2c42 h ASP 905 CO -0.04 0.37 0.06 0.58 -1.57 0.00 0.00 179.24 178.65 2c42 h VAL 906 N 0.40 1.04 -0.78 -1.35 2.07 -1.83 -1.51 116.25 114.29 2c42 h VAL 906 Ca 0.11 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2c42 h VAL 906 Cb 0.06 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2c42 h VAL 906 CO -0.02 0.04 0.52 0.11 0.02 0.00 0.00 177.57 178.24 2c42 h LYS 907 N 0.12 1.02 -0.18 1.57 1.57 -1.11 0.11 116.57 119.67 2c42 h LYS 907 Ca 0.04 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2c42 h LYS 907 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 2c42 h LYS 907 CO -0.01 0.68 0.05 1.49 -0.57 0.00 0.00 179.45 181.09 2c42 h GLU 908 N 1.05 0.28 -0.80 3.15 4.81 -0.92 -0.60 114.58 121.56 2c42 h GLU 908 Ca 0.29 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 2c42 h GLU 908 Cb -0.11 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 2c42 h GLU 908 CO -0.07 0.40 0.52 0.00 -0.73 0.00 0.00 179.01 179.14 2c42 h ALA 909 N 0.87 1.02 -0.71 2.92 0.00 -0.76 0.16 119.26 122.75 2c42 h ALA 909 Ca 0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2c42 h ALA 909 Cb 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2c42 h ALA 909 CO -0.00 0.39 0.18 -0.07 0.00 0.00 0.00 179.25 179.75 2c42 h LEU 910 N 1.05 1.07 -0.54 0.00 3.38 -0.77 0.15 115.31 119.65 2c42 h LEU 910 Ca 0.30 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2c42 h LEU 910 Cb -0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 2c42 h LEU 910 CO -0.08 1.02 -0.05 1.56 0.09 0.00 0.00 178.44 180.98 2c42 h GLN 911 N 1.08 0.99 -0.27 1.13 4.20 -0.61 -1.11 115.11 120.52 2c42 h GLN 911 Ca 0.23 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2c42 h GLN 911 Cb 0.36 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2c42 h GLN 911 CO 0.00 1.02 0.15 0.78 -0.67 0.00 0.00 178.83 180.11 2c42 h GLY 912 N 0.87 0.41 0.96 3.46 0.00 -0.62 -1.70 103.07 106.45 2c42 h GLY 912 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2c42 h GLY 912 CO 0.04 0.18 0.17 -0.25 0.00 0.00 0.00 176.54 176.68 2c42 h TRP 913 N 0.32 0.44 -0.67 5.60 7.01 -0.81 -2.00 115.95 125.85 2c42 h TRP 913 Ca 0.10 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.11 2c42 h TRP 913 Cb 0.08 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 2c42 h TRP 913 CO -0.03 0.36 0.44 -0.07 -2.79 0.00 0.00 178.44 176.35 2c42 h LEU 914 N 0.40 0.71 -0.47 0.65 3.38 -1.06 0.49 115.31 119.40 2c42 h LEU 914 Ca 0.11 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 2c42 h LEU 914 Cb 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2c42 h LEU 914 CO -0.02 0.50 -0.74 0.00 0.09 0.00 0.00 178.44 178.27 2c42 h ALA 915 N 1.60 0.69 0.00 1.53 0.00 -1.00 -3.32 119.26 118.77 2c42 h ALA 915 Ca 0.26 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2c42 h ALA 915 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2c42 h ALA 915 CO -0.07 0.83 -0.47 0.41 0.00 0.00 0.00 179.25 179.96 2c42 n GLY 916 N 0.57 4.89 0.32 0.00 0.00 -0.78 -4.81 105.19 105.39 2c42 n GLY 916 Ca -0.03 -1.26 0.17 0.00 0.00 0.00 0.00 46.02 44.90 2c42 n GLY 916 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2c42 h LYS 917 N 0.88 0.00 -0.55 1.61 2.10 -0.14 -0.74 116.57 119.73 2c42 h LYS 917 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2c42 h LYS 917 Cb 1.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 2c42 h LYS 917 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 2c42 n ASN 918 N -3.76 3.49 -4.49 7.07 3.02 -1.26 -4.28 115.26 115.05 2c42 n ASN 918 Ca -0.00 -1.99 -0.38 0.00 -0.03 0.00 0.00 54.58 52.17 2c42 n ASN 918 Cb 0.23 -0.37 -0.11 0.00 -0.61 0.00 0.00 39.78 38.92 2c42 n ASN 918 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2c42 s ASP 919 N -1.02 5.69 0.34 6.41 -1.08 -0.32 -4.96 116.67 121.72 2c42 s ASP 919 Ca 0.38 -0.34 0.12 0.00 -0.52 0.00 0.00 52.55 52.18 2c42 s ASP 919 Cb 0.20 -2.04 0.95 0.00 -1.46 0.00 0.00 42.92 40.56 2c42 s ASP 919 CO 0.26 -0.14 1.73 -0.65 0.52 0.00 0.00 175.17 176.88 2c42 h PRO 920 N 8.36 0.50 0.16 4.34 0.11 -1.87 0.05 132.00 143.66 2c42 h PRO 920 Ca -0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 2c42 h PRO 920 Cb 1.16 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2c42 h PRO 920 CO 0.60 0.33 -0.08 0.82 -0.21 0.00 0.00 178.00 179.47 2c42 h ILE 921 N 0.52 0.08 -0.88 4.15 1.08 -1.94 -3.22 117.51 117.31 2c42 h ILE 921 Ca 0.65 -0.89 -0.02 0.00 -0.39 0.00 0.00 64.86 64.21 2c42 h ILE 921 Cb 1.34 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 2c42 h ILE 921 CO -0.46 0.02 0.48 0.11 -0.69 0.00 0.00 178.15 177.61 2c42 h LYS 922 N -1.05 1.22 -0.93 2.37 1.79 -1.78 -0.53 116.57 117.67 2c42 h LYS 922 Ca -0.02 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.32 2c42 h LYS 922 Cb 0.20 -0.24 -0.05 0.00 -1.58 0.00 0.00 32.23 30.57 2c42 h LYS 922 CO 0.04 0.89 0.62 0.66 -1.08 0.00 0.00 179.45 180.58 2c42 h SER 923 N 1.23 1.06 -0.17 0.86 4.64 -0.56 -1.25 113.55 119.36 2c42 h SER 923 Ca 0.31 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.48 2c42 h SER 923 Cb 0.03 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 2c42 h SER 923 CO -0.05 0.77 -0.37 0.50 -0.87 0.00 0.00 176.83 176.81 2c42 h LYS 924 N 1.25 0.54 0.03 4.77 3.64 -1.49 0.05 116.57 125.37 2c42 h LYS 924 Ca 0.34 -0.36 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2c42 h LYS 924 Cb -0.13 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 2c42 h LYS 924 CO -0.08 0.98 -0.40 1.49 -2.27 0.00 0.00 179.45 179.17 2c42 h GLU 925 N 0.19 -0.55 0.00 1.90 4.81 -0.64 0.11 114.58 120.40 2c42 h GLU 925 Ca 0.00 0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 2c42 h GLU 925 Cb 0.97 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2c42 h GLU 925 CO 0.08 -0.37 -0.75 1.88 -0.73 0.00 0.00 179.01 179.13 2c42 h TYR 926 N -0.57 0.00 -0.50 0.92 -1.99 -1.32 -2.96 116.97 110.55 2c42 h TYR 926 Ca 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 2c42 h TYR 926 Cb 0.64 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.35 2c42 h TYR 926 CO -0.39 0.75 0.25 0.78 -0.00 0.00 0.00 178.16 179.55 2c42 h GLY 927 N 2.40 0.76 1.78 3.88 0.00 -0.60 -0.47 103.07 110.82 2c42 h GLY 927 Ca -0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2c42 h GLY 927 CO 0.10 0.35 -0.08 -0.55 0.00 0.00 0.00 176.54 176.35 2c42 h ASP 928 N 0.66 0.25 -0.39 0.19 3.32 -0.78 -1.13 116.42 118.54 2c42 h ASP 928 Ca 0.17 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 2c42 h ASP 928 Cb 0.09 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2c42 h ASP 928 CO -0.02 0.38 -0.10 0.11 -1.72 0.00 0.00 179.24 177.88 2c42 h LYS 929 N 0.26 0.76 -0.62 3.56 1.57 -1.19 -2.85 116.57 118.07 2c42 h LYS 929 Ca 0.06 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2c42 h LYS 929 Cb 0.32 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2c42 h LYS 929 CO 0.02 0.90 0.26 -0.07 -0.57 0.00 0.00 179.45 179.98 2c42 h LEU 930 N 0.57 0.81 -0.51 2.94 3.38 -0.47 -0.27 115.31 121.76 2c42 h LEU 930 Ca 0.10 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2c42 h LEU 930 Cb 0.62 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2c42 h LEU 930 CO 0.04 0.72 0.28 0.11 0.09 0.00 0.00 178.44 179.68 2c42 h LYS 931 N 0.88 0.54 -0.07 1.13 1.57 -1.01 0.22 116.57 119.83 2c42 h LYS 931 Ca 0.21 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2c42 h LYS 931 Cb 0.15 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2c42 h LYS 931 CO -0.02 0.36 -0.20 0.87 -0.57 0.00 0.00 179.45 179.89 2c42 h LYS 932 N 0.55 0.25 -0.85 3.15 1.57 -1.28 -2.79 116.57 117.17 2c42 h LYS 932 Ca 0.22 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2c42 h LYS 932 Cb 0.08 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2c42 h LYS 932 CO -0.13 0.80 0.44 -0.07 -0.57 0.00 0.00 179.45 179.92 2c42 h LEU 933 N -0.25 1.09 -1.79 2.94 3.38 -0.89 -2.89 115.31 116.90 2c42 h LEU 933 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2c42 h LEU 933 Cb 0.81 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2c42 h LEU 933 CO 0.04 0.89 0.00 0.18 0.09 0.00 0.00 178.44 179.65 2c42 n LEU 934 N -4.32 2.63 -4.68 1.67 4.77 0.74 -4.94 117.00 112.88 2c42 n LEU 934 Ca 0.09 -1.25 -0.46 0.00 -0.03 0.00 0.00 56.01 54.36 2c42 n LEU 934 Cb 0.12 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 2c42 n LEU 934 CO 0.39 0.62 1.34 0.00 -1.33 0.00 0.00 177.39 178.42 2c42 n ALA 935 N 0.94 1.42 0.00 -1.18 0.00 -1.05 -1.47 120.51 119.17 2c42 n ALA 935 Ca 0.17 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2c42 n ALA 935 Cb 0.44 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.44 2c42 n ALA 935 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c42 n GLY 936 N 3.88 3.02 3.66 0.00 0.00 -1.26 -5.04 105.19 109.44 2c42 n GLY 936 Ca 0.19 -0.21 -0.47 0.00 0.00 0.00 0.00 46.02 45.53 2c42 n GLY 936 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2c42 n GLN 937 N 0.00 1.98 0.00 1.61 1.13 -0.54 -4.86 117.38 116.70 2c42 n GLN 937 Ca 0.00 0.71 0.00 0.00 -1.94 0.00 0.00 57.00 55.77 2c42 n GLN 937 Cb 0.00 -2.45 0.00 0.00 0.11 0.00 0.00 30.24 27.90 2c42 n GLN 937 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2c42 n LYS 938 N 3.13 3.14 -4.26 -1.09 4.76 -1.26 -4.65 118.16 117.94 2c42 n LYS 938 Ca 0.17 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.38 2c42 n LYS 938 Cb 0.27 -0.38 -0.07 0.00 -1.84 0.00 0.00 35.03 33.01 2c42 n LYS 938 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2c42 s ASP 939 N -0.39 4.55 0.97 4.39 1.11 -1.26 -4.69 116.67 121.36 2c42 s ASP 939 Ca 0.00 -0.69 0.00 0.00 0.18 0.00 0.00 52.55 52.04 2c42 s ASP 939 Cb 0.00 -0.80 0.00 0.00 1.07 0.00 0.00 42.92 43.19 2c42 s ASP 939 CO 0.00 -0.08 0.00 0.61 1.18 0.00 0.00 175.17 176.88 2c42 n GLY 940 N -0.95 0.90 0.17 0.21 0.00 -1.26 -1.52 105.19 102.74 2c42 n GLY 940 Ca -0.06 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 2c42 n GLY 940 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2c42 h LEU 941 N 0.00 0.46 -1.89 0.99 5.85 -1.98 -2.47 115.31 116.27 2c42 h LEU 941 Ca 0.00 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.58 2c42 h LEU 941 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2c42 h LEU 941 CO 0.00 0.48 0.09 -0.07 -0.34 0.00 0.00 178.44 178.60 2c42 h LEU 942 N 0.41 0.13 -0.26 2.25 3.38 -1.96 -0.95 115.31 118.30 2c42 h LEU 942 Ca 0.11 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2c42 h LEU 942 Cb 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2c42 h LEU 942 CO -0.01 0.09 -0.20 1.23 0.09 0.00 0.00 178.44 179.64 2c42 h GLY 943 N 0.15 0.65 0.96 0.83 0.00 -0.84 -0.73 103.07 104.10 2c42 h GLY 943 Ca 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 2c42 h GLY 943 CO -0.01 0.58 0.20 1.46 0.00 0.00 0.00 176.54 178.77 2c42 h GLN 944 N 0.32 0.55 -0.63 4.80 4.20 -0.94 -2.33 115.11 121.08 2c42 h GLN 944 Ca 0.05 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 2c42 h GLN 944 Cb 0.75 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 2c42 h GLN 944 CO 0.05 0.46 0.28 0.82 -0.67 0.00 0.00 178.83 179.77 2c42 h ILE 945 N 0.49 1.23 -0.25 2.54 2.04 -1.17 -2.64 117.51 119.75 2c42 h ILE 945 Ca 0.14 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 2c42 h ILE 945 Cb 0.08 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2c42 h ILE 945 CO -0.02 0.27 0.10 0.00 0.00 0.00 0.00 178.15 178.50 2c42 h ALA 946 N 1.12 1.71 0.00 1.87 0.00 -0.90 -1.63 119.26 121.43 2c42 h ALA 946 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2c42 h ALA 946 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2c42 h ALA 946 CO -0.02 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2c42 n ALA 947 N -2.49 2.53 -1.22 0.00 0.00 -0.90 -3.38 120.51 115.04 2c42 n ALA 947 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.30 2c42 n ALA 947 Cb 0.12 -1.47 0.22 0.00 0.00 0.00 0.00 19.45 18.33 2c42 n ALA 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2c42 n MET 948 N -1.09 2.30 0.25 0.00 2.00 -0.61 -4.73 117.12 115.24 2c42 n MET 948 Ca 0.19 -2.99 0.11 0.00 0.00 0.00 0.00 57.70 55.01 2c42 n MET 948 Cb 0.14 -1.82 0.73 0.00 0.00 0.00 0.00 33.22 32.27 2c42 n MET 948 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2c42 h SER 949 N 1.30 0.00 0.00 7.83 4.64 -1.67 -0.48 113.55 125.17 2c42 h SER 949 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2c42 h SER 949 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2c42 h SER 949 CO 0.31 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.37 2c42 n ASP 950 N -4.31 0.00 -0.09 4.97 5.68 -1.26 -2.10 116.55 119.44 2c42 n ASP 950 Ca -0.02 -1.17 0.04 0.00 -0.50 0.00 0.00 54.79 53.13 2c42 n ASP 950 Cb 0.12 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.08 2c42 n ASP 950 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c42 n LEU 951 N -0.70 0.70 0.25 -2.12 4.77 -0.19 -4.76 117.00 114.94 2c42 n LEU 951 Ca 0.07 -0.63 -0.16 0.00 -0.03 0.00 0.00 56.01 55.26 2c42 n LEU 951 Cb 0.03 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2c42 n LEU 951 CO 0.05 0.15 0.67 1.88 -1.33 0.00 0.00 177.39 178.81 2c42 h TYR 952 N 0.43 -0.79 -3.37 -1.77 0.99 -1.46 -3.43 116.97 107.56 2c42 h TYR 952 Ca 0.00 -0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.19 2c42 h TYR 952 Cb 0.22 0.29 -0.01 0.00 1.00 0.00 0.00 36.73 38.23 2c42 h TYR 952 CO 0.00 -0.45 0.44 0.99 -0.00 0.00 0.00 178.16 179.15 2c42 s THR 953 N -6.05 4.43 0.10 -2.88 2.01 -1.26 -4.64 115.64 107.36 2c42 s THR 953 Ca -0.17 1.81 -0.33 0.00 0.31 0.00 0.00 61.69 63.31 2c42 s THR 953 Cb 0.05 -4.16 -0.13 0.00 0.01 0.00 0.00 72.50 68.28 2c42 s THR 953 CO 0.63 0.18 1.70 1.17 -0.69 0.00 0.00 174.62 177.60 2c42 n LYS 954 N 3.61 2.31 -3.20 4.92 3.00 -1.26 -4.97 118.16 122.57 2c42 n LYS 954 Ca 0.06 0.84 -0.22 0.00 -0.00 0.00 0.00 58.31 58.98 2c42 n LYS 954 Cb 0.49 -2.65 0.00 0.00 0.00 0.00 0.00 35.03 32.87 2c42 n LYS 954 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2c42 s LYS 955 N 1.90 3.19 -0.29 1.64 -0.14 -1.26 -4.80 119.74 119.99 2c42 s LYS 955 Ca 0.82 -0.54 0.01 0.00 -1.36 0.00 0.00 55.97 54.90 2c42 s LYS 955 Cb -0.64 -2.64 0.06 0.00 -1.68 0.00 0.00 37.83 32.94 2c42 s LYS 955 CO 0.40 -0.08 -0.04 0.45 -0.76 0.00 0.00 175.35 175.32 2c42 s SER 956 N -4.15 4.67 -0.24 2.83 0.15 0.22 -5.02 113.70 112.17 2c42 s SER 956 Ca 0.45 -1.46 -0.21 0.00 0.70 0.00 0.00 55.95 55.43 2c42 s SER 956 Cb -0.10 -1.63 -0.02 0.00 -1.71 0.00 0.00 66.02 62.57 2c42 s SER 956 CO 0.36 -0.25 0.65 -0.69 1.20 0.00 0.00 173.24 174.51 2c42 s VAL 957 N 1.13 4.98 0.02 4.45 1.01 -1.26 -1.06 120.40 129.68 2c42 s VAL 957 Ca -0.05 1.19 0.08 0.00 0.00 0.00 0.00 61.98 63.20 2c42 s VAL 957 Cb -0.20 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 2c42 s VAL 957 CO -0.04 0.05 -0.25 0.26 0.00 0.00 0.00 175.10 175.12 2c42 s TRP 958 N 2.34 2.21 -0.24 5.22 0.52 -0.19 -0.68 118.94 128.13 2c42 s TRP 958 Ca 0.28 -0.41 -0.01 0.00 0.02 0.00 0.00 56.10 55.98 2c42 s TRP 958 Cb -0.16 -1.37 0.03 0.00 -1.15 0.00 0.00 33.47 30.83 2c42 s TRP 958 CO 0.09 0.05 -0.09 0.42 0.02 0.00 0.00 176.95 177.45 2c42 s ILE 959 N -0.71 2.70 -0.13 2.03 1.01 0.12 -0.62 121.20 125.61 2c42 s ILE 959 Ca 0.10 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 2c42 s ILE 959 Cb -0.10 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 2c42 s ILE 959 CO 0.01 0.23 0.05 -0.36 0.00 0.00 0.00 174.94 174.87 2c42 s PHE 960 N 1.30 3.28 0.04 3.97 2.99 -0.13 -0.69 117.98 128.75 2c42 s PHE 960 Ca 0.00 0.20 -0.28 0.00 0.00 0.00 0.00 56.93 56.86 2c42 s PHE 960 Cb -0.16 -1.93 0.09 0.00 0.00 0.00 0.00 43.02 41.02 2c42 s PHE 960 CO -0.06 0.40 0.92 0.20 -0.00 0.00 0.00 175.22 176.68 2c42 s GLY 961 N -0.44 -0.39 0.60 4.36 0.00 -1.01 -0.52 107.32 109.93 2c42 s GLY 961 Ca 0.09 0.75 -0.01 0.00 0.00 0.00 0.00 44.72 45.54 2c42 s GLY 961 CO 0.02 0.23 0.83 0.61 0.00 0.00 0.00 173.10 174.79 2c42 n GLY 962 N -0.32 0.46 0.21 0.20 0.00 -1.26 -0.88 105.19 103.61 2c42 n GLY 962 Ca -0.08 -1.99 -0.03 0.00 0.00 0.00 0.00 46.02 43.93 2c42 n GLY 962 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2c42 h ASP 963 N -0.57 0.35 -0.63 1.61 2.03 -1.83 -1.67 116.42 115.71 2c42 h ASP 963 Ca -0.27 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 2c42 h ASP 963 Cb 0.98 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 39.35 2c42 h ASP 963 CO 0.28 0.68 0.40 1.23 -1.03 0.00 0.00 179.24 180.79 2c42 h GLY 964 N 1.11 0.90 0.74 7.15 0.00 -1.91 0.19 103.07 111.25 2c42 h GLY 964 Ca 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2c42 h GLY 964 CO 0.06 0.35 -0.19 -0.25 0.00 0.00 0.00 176.54 176.51 2c42 h TRP 965 N 0.85 -0.48 -0.53 5.60 7.01 -1.85 -1.98 115.95 124.57 2c42 h TRP 965 Ca 0.23 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.16 2c42 h TRP 965 Cb -0.06 0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 2c42 h TRP 965 CO -0.02 -0.17 0.11 0.00 -2.79 0.00 0.00 178.44 175.56 2c42 h ALA 966 N -0.31 0.71 0.00 2.65 0.00 -1.17 0.27 119.26 121.41 2c42 h ALA 966 Ca -0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2c42 h ALA 966 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2c42 h ALA 966 CO 0.09 0.43 -1.08 1.88 0.00 0.00 0.00 179.25 180.56 2c42 h TYR 967 N 0.76 0.00 0.00 0.00 -1.99 -0.73 -3.29 116.97 111.72 2c42 h TYR 967 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 2c42 h TYR 967 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.11 2c42 h TYR 967 CO 0.03 0.34 0.00 -0.25 -0.00 0.00 0.00 178.16 178.28 2c42 n ASP 968 N -2.87 0.00 -0.35 3.88 10.43 -0.76 -4.75 116.55 122.13 2c42 n ASP 968 Ca -0.04 0.00 0.02 0.00 2.57 0.00 0.00 54.79 57.34 2c42 n ASP 968 Cb 0.71 0.00 0.17 0.00 1.84 0.00 0.00 41.12 43.84 2c42 n ASP 968 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 2c42 h ILE 969 N 0.00 1.07 -0.15 0.53 2.10 -1.25 -2.64 117.51 117.16 2c42 h ILE 969 Ca 0.00 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.56 2c42 h ILE 969 Cb 0.00 -0.14 0.00 0.00 -1.09 0.00 0.00 36.82 35.59 2c42 h ILE 969 CO 0.00 0.20 0.00 0.61 -1.08 0.00 0.00 178.15 177.88 2c42 n GLY 970 N -1.35 0.81 0.18 8.18 0.00 0.94 -4.54 105.19 109.41 2c42 n GLY 970 Ca 0.15 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 2c42 n GLY 970 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2c42 h TYR 971 N 3.56 0.19 -0.98 1.61 3.20 -1.21 0.48 116.97 123.82 2c42 h TYR 971 Ca 0.00 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.99 2c42 h TYR 971 Cb 0.77 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.94 2c42 h TYR 971 CO 0.09 0.04 0.62 0.78 -1.64 0.00 0.00 178.16 178.05 2c42 h GLY 972 N 0.25 1.55 0.99 1.82 0.00 -1.80 0.22 103.07 106.11 2c42 h GLY 972 Ca 0.20 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 2c42 h GLY 972 CO -0.24 0.22 -0.62 -1.33 0.00 0.00 0.00 176.54 174.57 2c42 h GLY 973 N 1.04 0.69 0.99 4.60 0.00 -1.67 -2.08 103.07 106.63 2c42 h GLY 973 Ca 0.46 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2c42 h GLY 973 CO -0.23 0.87 0.15 -2.00 0.00 0.00 0.00 176.54 175.33 2c42 h LEU 974 N 0.28 0.25 -0.13 3.11 5.85 -0.43 -0.57 115.31 123.67 2c42 h LEU 974 Ca -0.04 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2c42 h LEU 974 Cb 1.26 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 2c42 h LEU 974 CO 0.13 0.18 -0.10 -0.78 -0.34 0.00 0.00 178.44 177.53 2c42 h ASP 975 N 0.30 -0.30 -0.53 1.25 -0.00 -0.58 -0.62 116.42 115.95 2c42 h ASP 975 Ca 0.09 0.07 0.00 0.00 -0.00 0.00 0.00 57.03 57.18 2c42 h ASP 975 Cb -0.03 0.16 -0.03 0.00 -0.00 0.00 0.00 39.33 39.43 2c42 h ASP 975 CO -0.03 -0.13 0.34 -0.74 -0.00 0.00 0.00 179.24 178.68 2c42 h HIS 976 N -0.11 0.67 -0.66 0.28 2.76 -1.08 -1.21 115.15 115.82 2c42 h HIS 976 Ca 0.08 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.18 2c42 h HIS 976 Cb 0.22 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 2c42 h HIS 976 CO -0.22 0.44 0.11 0.28 -1.30 0.00 0.00 177.93 177.23 2c42 h VAL 977 N 0.71 1.26 -0.42 5.26 2.07 -0.81 -1.85 116.25 122.48 2c42 h VAL 977 Ca 0.19 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 2c42 h VAL 977 Cb -0.06 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2c42 h VAL 977 CO -0.04 0.39 -0.15 -0.07 0.02 0.00 0.00 177.57 177.72 2c42 h LEU 978 N 1.01 0.78 -1.93 2.57 3.38 -0.92 -2.37 115.31 117.82 2c42 h LEU 978 Ca 0.20 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2c42 h LEU 978 Cb 0.44 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2c42 h LEU 978 CO 0.01 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.48 2c42 h ALA 979 N 1.13 1.00 0.00 1.53 0.00 -0.81 -2.82 119.26 119.29 2c42 h ALA 979 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2c42 h ALA 979 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2c42 h ALA 979 CO 0.05 0.00 -0.24 0.66 0.00 0.00 0.00 179.25 179.71 2c42 h SER 980 N 0.00 0.00 0.00 0.00 4.64 -0.79 -3.47 113.55 113.94 2c42 h SER 980 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c42 h SER 980 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2c42 h SER 980 CO 0.00 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 2c42 n GLY 981 N -0.80 0.67 3.91 -0.77 0.00 -1.07 -5.04 105.19 102.09 2c42 n GLY 981 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2c42 n GLY 981 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c42 s GLU 982 N -0.17 2.84 -1.12 1.61 2.02 -1.26 -4.25 118.70 118.37 2c42 s GLU 982 Ca 0.00 0.08 -0.20 0.00 0.02 0.00 0.00 54.97 54.87 2c42 s GLU 982 Cb 0.00 -2.20 0.08 0.00 0.10 0.00 0.00 34.13 32.10 2c42 s GLU 982 CO 0.00 -0.82 1.51 0.34 0.02 0.00 0.00 175.26 176.31 2c42 s ASP 983 N -4.33 6.67 0.08 -0.19 3.68 -1.26 -1.65 116.67 119.67 2c42 s ASP 983 Ca 0.55 -1.97 0.03 0.00 2.13 0.00 0.00 52.55 53.29 2c42 s ASP 983 Cb -0.11 -2.54 -0.03 0.00 -1.45 0.00 0.00 42.92 38.79 2c42 s ASP 983 CO 0.47 -1.29 -0.08 0.68 0.13 0.00 0.00 175.17 175.08 2c42 s VAL 984 N 4.20 0.72 -0.16 1.11 -7.23 -1.25 -4.68 120.40 113.12 2c42 s VAL 984 Ca 0.47 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 2c42 s VAL 984 Cb 0.01 -1.20 0.01 0.00 0.56 0.00 0.00 36.38 35.76 2c42 s VAL 984 CO -0.03 -0.59 -0.20 0.20 -0.31 0.00 0.00 175.10 174.17 2c42 s ASN 985 N -2.32 3.23 -0.22 4.85 0.01 0.14 -2.00 114.94 118.63 2c42 s ASN 985 Ca 0.02 -0.60 -0.06 0.00 -0.71 0.00 0.00 52.86 51.51 2c42 s ASN 985 Cb -0.03 -1.48 -0.03 0.00 0.41 0.00 0.00 41.25 40.12 2c42 s ASN 985 CO -0.01 0.05 0.04 -0.69 -1.51 0.00 0.00 177.10 174.97 2c42 s VAL 986 N 1.02 4.18 -0.26 1.60 1.01 0.65 0.15 120.40 128.74 2c42 s VAL 986 Ca -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2c42 s VAL 986 Cb -0.14 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.35 2c42 s VAL 986 CO -0.06 0.39 -0.05 0.12 0.00 0.00 0.00 175.10 175.50 2c42 s PHE 987 N 1.24 3.13 -0.27 5.22 5.36 0.14 -0.56 117.98 132.23 2c42 s PHE 987 Ca 0.04 -1.71 -0.10 0.00 -0.96 0.00 0.00 56.93 54.20 2c42 s PHE 987 Cb -0.15 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.44 2c42 s PHE 987 CO 0.02 -0.77 0.14 0.08 -1.46 0.00 0.00 175.22 173.24 2c42 s VAL 988 N 1.28 4.87 -0.64 3.12 1.01 0.52 -2.40 120.40 128.17 2c42 s VAL 988 Ca -0.02 -0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 2c42 s VAL 988 Cb -0.18 -3.33 0.11 0.00 0.00 0.00 0.00 36.38 32.98 2c42 s VAL 988 CO -0.04 0.26 0.77 -0.04 0.00 0.00 0.00 175.10 176.06 2c42 s MET 989 N 1.69 3.13 -0.55 2.72 -1.94 -0.06 -0.87 119.30 123.43 2c42 s MET 989 Ca 0.07 -1.36 -0.26 0.00 -1.71 0.00 0.00 55.69 52.42 2c42 s MET 989 Cb -0.16 -4.32 0.04 0.00 2.01 0.00 0.00 34.83 32.39 2c42 s MET 989 CO 0.08 -1.58 1.04 0.34 -0.01 0.00 0.00 175.02 174.88 2c42 s ASP 990 N 3.56 6.41 0.00 3.03 -1.08 -0.62 -2.97 116.67 125.00 2c42 s ASP 990 Ca 0.15 -0.10 0.24 0.00 -0.52 0.00 0.00 52.55 52.31 2c42 s ASP 990 Cb -0.21 -2.48 0.31 0.00 -1.46 0.00 0.00 42.92 39.07 2c42 s ASP 990 CO 0.05 -1.30 1.33 0.35 0.52 0.00 0.00 175.17 176.11 2c42 n THR 991 N 6.42 0.25 -2.10 1.71 -2.24 -1.26 -1.18 114.28 115.89 2c42 n THR 991 Ca 0.05 -0.63 -0.21 0.00 -2.27 0.00 0.00 64.05 61.00 2c42 n THR 991 Cb 0.48 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.92 2c42 n THR 991 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2c42 n GLU 992 N 1.42 -1.61 -3.60 -0.78 1.02 -1.26 -4.85 120.64 110.97 2c42 n GLU 992 Ca 0.17 1.09 -0.04 0.00 -0.02 0.00 0.00 57.16 58.36 2c42 n GLU 992 Cb 0.60 -5.65 -0.02 0.00 -0.02 0.00 0.00 31.44 26.36 2c42 n GLU 992 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2c42 s VAL 993 N -2.93 0.00 -0.68 2.62 -7.23 -1.26 -3.89 120.40 107.03 2c42 s VAL 993 Ca 0.00 -0.16 -0.26 0.00 -1.81 0.00 0.00 61.98 59.75 2c42 s VAL 993 Cb 0.00 -1.41 0.04 0.00 0.56 0.00 0.00 36.38 35.58 2c42 s VAL 993 CO 0.00 0.00 1.15 -0.31 -0.31 0.00 0.00 175.10 175.63 2c42 s TYR 994 N -2.74 2.48 -0.07 2.82 2.02 0.14 -4.59 117.35 117.41 2c42 s TYR 994 Ca 0.10 -0.10 -0.12 0.00 -0.37 0.00 0.00 57.07 56.57 2c42 s TYR 994 Cb 0.00 -4.47 -0.08 0.00 -0.40 0.00 0.00 41.96 37.01 2c42 s TYR 994 CO -0.04 -1.82 0.48 0.77 -1.57 0.00 0.00 175.55 173.37 2c42 h SER 995 N 9.77 -0.22 -1.00 2.29 0.02 -1.94 0.14 113.55 122.60 2c42 h SER 995 Ca -0.28 -0.13 0.19 0.00 -0.84 0.00 0.00 61.79 60.73 2c42 h SER 995 Cb 1.06 0.06 -0.11 0.00 0.14 0.00 0.00 62.40 63.55 2c42 h SER 995 CO 1.22 0.29 0.61 -0.55 -1.14 0.00 0.00 176.83 177.26 2c42 h ASN 996 N -1.03 0.78 0.67 3.07 7.08 -1.93 -1.42 115.58 122.80 2c42 h ASN 996 Ca -0.03 0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.29 2c42 h ASN 996 Cb 0.34 -0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.54 2c42 h ASN 996 CO 0.04 0.27 0.00 0.35 -2.08 0.00 0.00 177.43 176.02 2c42 n THR 997 N -4.77 0.05 0.00 6.14 -2.24 -1.26 -4.87 114.28 107.34 2c42 n THR 997 Ca 0.23 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2c42 n THR 997 Cb 0.57 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2c42 n THR 997 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c42 n GLY 998 N 1.24 1.52 2.28 3.38 0.00 -0.54 -4.88 105.19 108.19 2c42 n GLY 998 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 2c42 n GLY 998 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c42 n GLY 999 N 0.00 0.29 3.84 -0.02 0.00 -0.00 -4.79 105.19 104.51 2c42 n GLY 999 Ca 0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2c42 n GLY 999 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c42 s GLN 1000N -5.34 4.09 0.58 1.61 1.11 -0.96 -2.09 119.66 118.67 2c42 s GLN 1000Ca 0.19 0.80 -0.20 0.00 0.01 0.00 0.00 55.36 56.16 2c42 s GLN 1000Cb -0.08 -2.44 -0.04 0.00 -1.01 0.00 0.00 33.01 29.44 2c42 s GLN 1000CO 0.30 0.15 1.30 0.45 0.01 0.00 0.00 175.29 177.50 2c42 s SER 1001N -2.18 5.09 0.30 5.90 0.15 -0.51 0.23 113.70 122.69 2c42 s SER 1001Ca 0.54 2.63 0.03 0.00 0.70 0.00 0.00 55.95 59.85 2c42 s SER 1001Cb -0.11 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 2c42 s SER 1001CO 0.17 -1.68 0.12 -0.94 1.20 0.00 0.00 173.24 172.11 2c42 s SER 1002N -1.22 1.62 0.00 5.45 1.04 -1.26 -4.67 113.70 114.65 2c42 s SER 1002Ca 0.76 -1.48 0.15 0.00 0.48 0.00 0.00 55.95 55.86 2c42 s SER 1002Cb -0.37 0.26 0.75 0.00 0.10 0.00 0.00 66.02 66.76 2c42 s SER 1002CO 0.42 -0.80 1.44 0.29 0.98 0.00 0.00 173.24 175.57 2c42 n LYS 1003N -0.58 0.18 0.00 4.02 5.02 -1.26 -1.21 118.16 124.32 2c42 n LYS 1003Ca -0.00 0.16 0.13 0.00 -2.02 0.00 0.00 58.31 56.58 2c42 n LYS 1003Cb 0.66 -1.50 0.38 0.00 -0.02 0.00 0.00 35.03 34.55 2c42 n LYS 1003CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c42 n ALA 1004N -1.33 3.09 -2.28 7.82 0.00 -1.26 -0.55 120.51 126.00 2c42 n ALA 1004Ca 0.07 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 2c42 n ALA 1004Cb 0.13 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 2c42 n ALA 1004CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2c42 s THR 1005N -2.53 3.99 0.69 0.00 2.01 -0.35 -4.64 115.64 114.81 2c42 s THR 1005Ca 0.24 1.55 -0.11 0.00 0.31 0.00 0.00 61.69 63.67 2c42 s THR 1005Cb 0.19 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2c42 s THR 1005CO 0.53 0.18 1.08 -2.16 -0.69 0.00 0.00 174.62 173.56 2c42 s PRO 1006N 0.42 3.04 0.23 4.92 0.04 -1.26 -3.82 135.00 138.56 2c42 s PRO 1006Ca 0.54 0.59 -0.32 0.00 0.04 0.00 0.00 61.00 61.85 2c42 s PRO 1006Cb -0.29 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.09 2c42 s PRO 1006CO 0.32 -0.94 1.50 2.41 0.04 0.00 0.00 177.00 180.34 2c42 n THR 1007N -2.96 0.69 -0.18 1.26 -1.04 -1.25 -2.28 114.28 108.51 2c42 n THR 1007Ca 0.07 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2c42 n THR 1007Cb 0.56 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2c42 n THR 1007CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2c42 n GLY 1008N 2.55 2.37 3.75 3.41 0.00 0.26 -4.84 105.19 112.69 2c42 n GLY 1008Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2c42 n GLY 1008CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 s ALA 1009N -3.09 3.38 -0.13 4.61 0.00 -0.97 -4.43 121.76 121.13 2c42 s ALA 1009Ca 0.00 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 52.60 2c42 s ALA 1009Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2c42 s ALA 1009CO 0.00 -0.08 0.40 0.08 0.00 0.00 0.00 175.76 176.16 2c42 s VAL 1010N -0.88 5.22 0.28 0.00 1.01 0.20 -0.71 120.40 125.53 2c42 s VAL 1010Ca 0.45 0.79 -0.19 0.00 0.00 0.00 0.00 61.98 63.03 2c42 s VAL 1010Cb -0.30 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2c42 s VAL 1010CO 0.37 0.37 0.68 0.00 0.00 0.00 0.00 175.10 176.52 2c42 s ALA 1011N 0.44 -1.03 0.31 5.51 0.00 -1.06 -4.80 121.76 121.13 2c42 s ALA 1011Ca 0.22 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.46 2c42 s ALA 1011Cb -0.14 0.88 -0.11 0.00 0.00 0.00 0.00 23.12 23.75 2c42 s ALA 1011CO 0.08 -1.00 1.46 0.15 0.00 0.00 0.00 175.76 176.45 2c42 s LYS 1012N -3.88 4.21 0.00 0.00 -0.14 -0.89 -0.65 119.74 118.39 2c42 s LYS 1012Ca 0.13 2.42 0.00 0.00 -1.36 0.00 0.00 55.97 57.16 2c42 s LYS 1012Cb -0.05 -3.05 0.00 0.00 -1.68 0.00 0.00 37.83 33.05 2c42 s LYS 1012CO 0.08 -0.46 0.00 1.19 -0.76 0.00 0.00 175.35 175.40 2c42 n PHE 1013N 1.53 0.00 -2.73 3.18 0.99 -1.26 -1.42 117.46 117.76 2c42 n PHE 1013Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.45 2c42 n PHE 1013Cb 0.40 -0.32 0.07 0.00 -1.00 0.00 0.00 39.48 38.63 2c42 n PHE 1013CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c42 n ALA 1014N 1.00 2.68 0.16 4.37 0.00 0.18 -4.91 120.51 123.99 2c42 n ALA 1014Ca 0.00 -2.32 0.02 0.00 0.00 0.00 0.00 53.44 51.13 2c42 n ALA 1014Cb 0.08 -0.91 0.09 0.00 0.00 0.00 0.00 19.45 18.70 2c42 n ALA 1014CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c42 n ALA 1015N -0.58 1.29 -1.91 0.00 0.00 -1.07 -1.53 120.51 116.71 2c42 n ALA 1015Ca 0.02 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2c42 n ALA 1015Cb 0.83 -1.06 0.06 0.00 0.00 0.00 0.00 19.45 19.28 2c42 n ALA 1015CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c42 n ALA 1016N -1.37 2.41 -0.03 0.00 0.00 -1.26 -4.97 120.51 115.29 2c42 n ALA 1016Ca 0.01 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.40 2c42 n ALA 1016Cb 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2c42 n ALA 1016CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c42 n GLY 1017N -0.30 -0.73 3.70 0.00 0.00 -0.58 -4.95 105.19 102.33 2c42 n GLY 1017Ca 0.08 -1.17 -0.44 0.00 0.00 0.00 0.00 46.02 44.49 2c42 n GLY 1017CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2c42 n LYS 1018N 1.35 2.37 -0.46 1.61 4.81 0.12 -4.66 118.16 123.30 2c42 n LYS 1018Ca 0.00 0.85 0.09 0.00 -0.87 0.00 0.00 58.31 58.38 2c42 n LYS 1018Cb 0.00 -2.60 0.31 0.00 0.02 0.00 0.00 35.03 32.76 2c42 n LYS 1018CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2c42 n ARG 1019N 2.76 3.25 -4.33 1.64 5.12 -1.26 -0.57 116.66 123.27 2c42 n ARG 1019Ca 0.13 -2.69 -0.20 0.00 -1.93 0.00 0.00 57.85 53.16 2c42 n ARG 1019Cb 0.33 -1.69 -0.13 0.00 -1.16 0.00 0.00 32.46 29.80 2c42 n ARG 1019CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2c42 s THR 1020N -1.52 1.16 0.97 0.55 -4.23 -1.26 -5.04 115.64 106.27 2c42 s THR 1020Ca 0.46 -1.08 -0.13 0.00 -1.18 0.00 0.00 61.69 59.76 2c42 s THR 1020Cb 0.27 -1.06 0.17 0.00 1.34 0.00 0.00 72.50 73.23 2c42 s THR 1020CO 0.25 -0.03 1.12 -0.83 -0.54 0.00 0.00 174.62 174.59 2c42 s GLY 1021N -1.27 1.57 0.18 3.99 0.00 -1.26 -3.85 107.32 106.67 2c42 s GLY 1021Ca 0.01 -0.49 -0.31 0.00 0.00 0.00 0.00 44.72 43.94 2c42 s GLY 1021CO 0.02 0.12 1.41 1.25 0.00 0.00 0.00 173.10 175.90 2c42 s LYS 1022N -5.14 4.31 0.26 2.90 2.20 -1.25 -4.79 119.74 118.23 2c42 s LYS 1022Ca 0.65 2.18 -0.30 0.00 -0.36 0.00 0.00 55.97 58.14 2c42 s LYS 1022Cb -0.16 -3.18 -0.10 0.00 -1.51 0.00 0.00 37.83 32.88 2c42 s LYS 1022CO 0.56 -0.41 1.40 0.21 -0.36 0.00 0.00 175.35 176.75 2c42 s LYS 1023N 0.38 4.30 -1.23 4.03 2.20 0.29 -4.93 119.74 124.78 2c42 s LYS 1023Ca 0.62 2.26 -0.09 0.00 -0.36 0.00 0.00 55.97 58.40 2c42 s LYS 1023Cb -0.39 -3.11 0.19 0.00 -1.51 0.00 0.00 37.83 33.01 2c42 s LYS 1023CO 0.36 -0.36 1.72 -3.47 -0.36 0.00 0.00 175.35 173.24 2c42 n ASP 1024N 2.00 5.33 -0.31 1.43 -0.08 -1.26 -4.80 116.55 118.85 2c42 n ASP 1024Ca 0.05 -3.13 0.03 0.00 -1.51 0.00 0.00 54.79 50.23 2c42 n ASP 1024Cb 0.41 -1.46 0.18 0.00 2.34 0.00 0.00 41.12 42.59 2c42 n ASP 1024CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2c42 h LEU 1025N 7.77 0.77 0.11 -2.67 5.85 -1.97 -2.16 115.31 123.01 2c42 h LEU 1025Ca 0.35 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.12 2c42 h LEU 1025Cb 0.68 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2c42 h LEU 1025CO 1.50 0.45 -0.19 0.00 -0.34 0.00 0.00 178.44 179.85 2c42 h ALA 1026N 1.46 -0.33 -0.08 1.25 0.00 -2.00 -1.81 119.26 117.76 2c42 h ALA 1026Ca 0.42 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 2c42 h ALA 1026Cb 0.35 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2c42 h ALA 1026CO -0.24 -0.72 -0.37 0.00 0.00 0.00 0.00 179.25 177.92 2c42 h ARG 1027N -0.37 0.16 -0.22 0.00 3.08 -1.92 -2.07 114.38 113.04 2c42 h ARG 1027Ca 0.03 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2c42 h ARG 1027Cb 0.39 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2c42 h ARG 1027CO -0.11 0.51 0.10 0.52 -1.07 0.00 0.00 179.97 179.93 2c42 h MET 1028N 0.14 0.31 -0.01 0.04 2.86 -1.09 -2.97 114.93 114.22 2c42 h MET 1028Ca 0.02 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2c42 h MET 1028Cb 0.72 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 2c42 h MET 1028CO 0.05 0.33 -0.44 0.28 1.06 0.00 0.00 176.91 178.20 2c42 h VAL 1029N 0.22 1.32 0.00 -2.22 2.07 -1.17 -2.75 116.25 113.72 2c42 h VAL 1029Ca 0.07 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2c42 h VAL 1029Cb 0.12 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2c42 h VAL 1029CO -0.01 0.44 0.00 0.24 0.02 0.00 0.00 177.57 178.26 2c42 h MET 1030N 0.02 0.00 0.00 1.57 2.07 -1.21 -2.59 114.93 114.79 2c42 h MET 1030Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2c42 h MET 1030Cb 0.79 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.52 2c42 h MET 1030CO 0.06 0.00 0.00 1.79 1.07 0.00 0.00 176.91 179.83 2c42 h THR 1031N 0.00 0.00 -0.34 2.22 1.35 -1.43 -2.21 112.91 112.49 2c42 h THR 1031Ca 0.00 -0.14 -0.12 0.00 -0.55 0.00 0.00 66.41 65.60 2c42 h THR 1031Cb 0.30 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 2c42 h THR 1031CO 0.00 0.00 -0.28 1.88 -0.25 0.00 0.00 175.52 176.87 2c42 h TYR 1032N 0.00 0.83 0.00 4.73 0.05 -1.67 -3.47 116.97 117.44 2c42 h TYR 1032Ca 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.57 2c42 h TYR 1032Cb 0.16 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2c42 h TYR 1032CO 0.00 0.92 0.00 0.41 -1.05 0.00 0.00 178.16 178.44 2c42 n GLY 1033N -0.16 2.80 0.95 3.88 0.00 -0.83 -4.76 105.19 107.07 2c42 n GLY 1033Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2c42 n GLY 1033CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2c42 n TYR 1034N -0.75 0.89 -4.80 1.61 0.18 -1.26 -4.61 117.16 108.42 2c42 n TYR 1034Ca 0.00 -0.69 -0.33 0.00 1.88 0.00 0.00 57.90 58.76 2c42 n TYR 1034Cb 0.00 -0.20 -0.14 0.00 -0.38 0.00 0.00 39.34 38.62 2c42 n TYR 1034CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2c42 s VAL 1035N -1.98 3.05 -0.05 -3.48 1.01 -1.26 -4.48 120.40 113.20 2c42 s VAL 1035Ca 0.37 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 2c42 s VAL 1035Cb 0.26 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2c42 s VAL 1035CO 0.14 0.54 1.04 -0.47 0.00 0.00 0.00 175.10 176.35 2c42 s TYR 1036N 0.13 3.51 -0.03 5.22 5.04 -0.28 -4.66 117.35 126.28 2c42 s TYR 1036Ca -0.07 1.55 0.03 0.00 -2.44 0.00 0.00 57.07 56.14 2c42 s TYR 1036Cb -0.15 -3.22 0.00 0.00 0.35 0.00 0.00 41.96 38.94 2c42 s TYR 1036CO 0.05 -0.41 -0.10 0.08 -1.34 0.00 0.00 175.55 173.83 2c42 s VAL 1037N 1.62 0.86 0.04 3.14 1.01 -0.66 -0.04 120.40 126.36 2c42 s VAL 1037Ca 0.52 -0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.90 2c42 s VAL 1037Cb -0.21 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.45 2c42 s VAL 1037CO 0.23 0.26 0.46 0.00 0.00 0.00 0.00 175.10 176.06 2c42 s ALA 1038N 0.19 -1.16 0.09 5.51 0.00 -0.40 0.70 121.76 126.69 2c42 s ALA 1038Ca -0.03 0.46 0.09 0.00 0.00 0.00 0.00 51.96 52.48 2c42 s ALA 1038Cb -0.09 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 2c42 s ALA 1038CO 0.01 -0.47 -0.25 0.95 0.00 0.00 0.00 175.76 176.00 2c42 s THR 1039N -2.40 2.02 0.07 0.00 -4.23 -0.68 -1.09 115.64 109.34 2c42 s THR 1039Ca -0.06 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 2c42 s THR 1039Cb -0.01 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 2c42 s THR 1039CO -0.02 0.16 0.00 0.68 -0.54 0.00 0.00 174.62 174.90 2c42 s VAL 1040N -0.97 0.19 -0.29 2.29 -7.23 -0.43 -3.98 120.40 109.98 2c42 s VAL 1040Ca 0.11 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2c42 s VAL 1040Cb -0.10 -1.66 0.17 0.00 0.56 0.00 0.00 36.38 35.36 2c42 s VAL 1040CO 0.04 -0.85 0.47 -0.55 -0.31 0.00 0.00 175.10 173.90 2c42 s SER 1041N -2.95 -0.26 0.25 4.85 0.15 -1.26 -1.84 113.70 112.63 2c42 s SER 1041Ca 0.12 -0.16 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 2c42 s SER 1041Cb 0.08 1.41 0.48 0.00 -1.71 0.00 0.00 66.02 66.27 2c42 s SER 1041CO -0.07 -0.33 1.65 -0.03 1.20 0.00 0.00 173.24 175.66 2c42 h MET 1042N 8.11 0.16 0.00 5.44 4.05 -1.86 -0.81 114.93 130.03 2c42 h MET 1042Ca -0.07 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2c42 h MET 1042Cb 1.14 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.91 2c42 h MET 1042CO 0.23 0.10 -0.01 0.78 0.23 0.00 0.00 176.91 178.25 2c42 h GLY 1043N 0.16 0.00 0.07 1.39 0.00 -1.84 -2.92 103.07 99.92 2c42 h GLY 1043Ca 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.69 2c42 h GLY 1043CO -0.61 0.00 -0.35 -1.82 0.00 0.00 0.00 176.54 173.76 2c42 h TYR 1044N 0.00 0.05 -1.85 5.60 3.20 -1.32 -3.37 116.97 119.28 2c42 h TYR 1044Ca -0.00 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 2c42 h TYR 1044Cb 0.02 -0.00 -0.26 0.00 1.54 0.00 0.00 36.73 38.03 2c42 h TYR 1044CO 0.00 1.13 -0.36 0.45 -1.64 0.00 0.00 178.16 177.75 2c42 s SER 1045N -6.42 -0.45 0.25 -2.11 0.15 -1.04 -5.00 113.70 99.08 2c42 s SER 1045Ca -0.21 0.74 0.10 0.00 0.70 0.00 0.00 55.95 57.28 2c42 s SER 1045Cb -0.01 1.58 0.26 0.00 -1.71 0.00 0.00 66.02 66.14 2c42 s SER 1045CO 0.68 -0.26 1.56 0.11 1.20 0.00 0.00 173.24 176.53 2c42 h LYS 1046N 8.11 0.01 -0.35 5.44 1.57 -1.84 -2.89 116.57 126.62 2c42 h LYS 1046Ca -0.19 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.42 2c42 h LYS 1046Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2c42 h LYS 1046CO 0.21 0.68 -0.43 1.96 -0.57 0.00 0.00 179.45 181.31 2c42 h GLN 1047N 0.01 0.89 -0.34 3.15 4.20 -1.94 -1.72 115.11 119.35 2c42 h GLN 1047Ca -0.01 -0.49 -0.09 0.00 0.06 0.00 0.00 58.65 58.12 2c42 h GLN 1047Cb 1.20 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 2c42 h GLN 1047CO 0.09 1.13 -0.16 0.37 -0.67 0.00 0.00 178.83 179.59 2c42 h GLN 1048N 0.71 0.61 -0.26 1.46 -0.00 -1.96 -0.87 115.11 114.80 2c42 h GLN 1048Ca 0.05 -0.21 -0.03 0.00 -0.00 0.00 0.00 58.65 58.46 2c42 h GLN 1048Cb 1.02 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.44 2c42 h GLN 1048CO 0.10 0.75 0.05 0.35 0.00 0.00 0.00 178.83 180.08 2c42 h PHE 1049N 0.55 0.46 -0.70 3.99 3.57 -1.37 -1.26 116.94 122.17 2c42 h PHE 1049Ca 0.09 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 2c42 h PHE 1049Cb 0.60 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 2c42 h PHE 1049CO 0.02 0.53 0.21 -0.07 -2.23 0.00 0.00 178.31 176.77 2c42 h LEU 1050N 0.24 1.03 -0.86 0.59 3.38 -1.12 -1.70 115.31 116.87 2c42 h LEU 1050Ca 0.08 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2c42 h LEU 1050Cb 0.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2c42 h LEU 1050CO 0.00 0.96 0.00 0.50 0.09 0.00 0.00 178.44 180.00 2c42 h LYS 1051N 1.05 0.85 -0.44 1.13 3.64 -1.00 -1.95 116.57 119.84 2c42 h LYS 1051Ca 0.23 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2c42 h LYS 1051Cb 0.32 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2c42 h LYS 1051CO -0.01 0.85 -0.03 0.28 -2.27 0.00 0.00 179.45 178.27 2c42 h VAL 1052N 0.79 1.27 -0.30 2.00 2.07 -0.86 -0.84 116.25 120.38 2c42 h VAL 1052Ca 0.15 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 2c42 h VAL 1052Cb 0.47 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2c42 h VAL 1052CO 0.02 0.38 0.18 -0.07 0.02 0.00 0.00 177.57 178.10 2c42 h LEU 1053N 0.65 0.36 -0.13 2.57 3.38 -1.09 0.37 115.31 121.41 2c42 h LEU 1053Ca 0.12 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2c42 h LEU 1053Cb 0.54 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2c42 h LEU 1053CO 0.03 0.31 0.07 0.50 0.09 0.00 0.00 178.44 179.44 2c42 h LYS 1054N 0.38 0.19 -0.33 1.13 3.64 -1.28 -1.50 116.57 118.79 2c42 h LYS 1054Ca 0.11 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2c42 h LYS 1054Cb 0.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2c42 h LYS 1054CO -0.02 0.22 -0.02 0.93 -2.27 0.00 0.00 179.45 178.29 2c42 h GLU 1055N 0.10 0.60 -0.40 1.90 5.08 -0.93 -1.83 114.58 119.11 2c42 h GLU 1055Ca 0.05 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2c42 h GLU 1055Cb 0.09 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2c42 h GLU 1055CO -0.01 0.74 0.04 0.00 -1.00 0.00 0.00 179.01 178.78 2c42 h ALA 1056N 0.84 0.54 -0.41 3.43 0.00 -0.26 -2.29 119.26 121.11 2c42 h ALA 1056Ca 0.09 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2c42 h ALA 1056Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2c42 h ALA 1056CO 0.02 0.28 -0.22 1.49 0.00 0.00 0.00 179.25 180.82 2c42 h GLU 1057N 0.52 0.82 0.00 0.00 4.22 -1.28 -3.00 114.58 115.85 2c42 h GLU 1057Ca 0.12 -0.33 0.00 0.00 0.08 0.00 0.00 59.36 59.23 2c42 h GLU 1057Cb 0.42 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2c42 h GLU 1057CO 0.01 0.96 0.00 0.66 -2.18 0.00 0.00 179.01 178.46 2c42 h SER 1058N 0.71 0.00 -2.47 1.04 4.64 -1.29 -3.45 113.55 112.72 2c42 h SER 1058Ca 0.10 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.89 2c42 h SER 1058Cb 0.74 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.86 2c42 h SER 1058CO 0.06 0.00 1.16 0.12 -0.87 0.00 0.00 176.83 177.30 2c42 s PHE 1059N -3.30 1.75 -1.00 4.77 5.36 -0.87 -4.85 117.98 119.85 2c42 s PHE 1059Ca 0.06 -0.19 -0.08 0.00 -0.96 0.00 0.00 56.93 55.76 2c42 s PHE 1059Cb 0.07 -4.18 -0.14 0.00 -0.34 0.00 0.00 43.02 38.44 2c42 s PHE 1059CO 0.61 -5.06 3.01 -0.35 -1.46 0.00 0.00 175.22 171.97 2c42 n PRO 1060N 6.63 2.89 -1.19 10.12 -0.04 -1.26 -4.74 135.00 147.42 2c42 n PRO 1060Ca 0.19 -1.68 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 2c42 n PRO 1060Cb 0.40 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2c42 n PRO 1060CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c42 n GLY 1061N 3.25 1.01 3.75 0.55 0.00 -1.26 -4.79 105.19 107.69 2c42 n GLY 1061Ca 0.62 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2c42 n GLY 1061CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2c42 s PRO 1062N -1.08 4.54 -0.04 1.61 0.02 -0.66 -3.80 135.00 135.60 2c42 s PRO 1062Ca 0.00 1.87 0.03 0.00 0.02 0.00 0.00 61.00 62.93 2c42 s PRO 1062Cb 0.00 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.32 2c42 s PRO 1062CO 0.00 0.03 -0.13 -1.12 -0.33 0.00 0.00 177.00 175.45 2c42 s SER 1063N -0.35 1.73 -0.14 2.53 0.01 -0.85 -1.13 113.70 115.51 2c42 s SER 1063Ca 0.49 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2c42 s SER 1063Cb -0.33 -0.49 0.02 0.00 0.21 0.00 0.00 66.02 65.43 2c42 s SER 1063CO 0.40 0.11 -0.13 -0.22 0.41 0.00 0.00 173.24 173.81 2c42 s LEU 1064N 0.13 1.60 -0.13 2.44 2.96 0.94 -0.25 118.68 126.37 2c42 s LEU 1064Ca -0.04 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 2c42 s LEU 1064Cb -0.10 -1.11 0.01 0.00 0.50 0.00 0.00 46.19 45.49 2c42 s LEU 1064CO 0.01 -0.06 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.09 2c42 s VAL 1065N 1.46 1.93 -0.19 1.68 1.01 0.27 -1.27 120.40 125.29 2c42 s VAL 1065Ca 0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 2c42 s VAL 1065Cb -0.13 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 2c42 s VAL 1065CO -0.09 0.53 -0.11 -0.63 0.00 0.00 0.00 175.10 174.80 2c42 s ILE 1066N 0.79 2.89 -0.00 2.22 1.01 -0.25 -0.35 121.20 127.49 2c42 s ILE 1066Ca -0.09 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2c42 s ILE 1066Cb -0.16 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2c42 s ILE 1066CO -0.00 0.48 -0.01 0.00 0.00 0.00 0.00 174.94 175.40 2c42 s ALA 1067N 1.24 3.24 -0.41 9.38 0.00 -0.04 -1.32 121.76 133.86 2c42 s ALA 1067Ca 0.03 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 50.76 2c42 s ALA 1067Cb -0.14 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.69 2c42 s ALA 1067CO -0.05 0.64 0.97 -0.47 0.00 0.00 0.00 175.76 176.85 2c42 s TYR 1068N -1.07 3.00 -0.23 0.00 5.04 -0.77 -1.59 117.35 121.74 2c42 s TYR 1068Ca 0.19 0.68 -0.05 0.00 -2.44 0.00 0.00 57.07 55.46 2c42 s TYR 1068Cb -0.11 -3.85 -0.01 0.00 0.35 0.00 0.00 41.96 38.33 2c42 s TYR 1068CO 0.10 -0.96 -0.02 0.00 -1.34 0.00 0.00 175.55 173.33 2c42 s ALA 1069N 3.70 2.89 0.60 3.97 0.00 -0.32 -4.76 121.76 127.84 2c42 s ALA 1069Ca 0.40 -1.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 2c42 s ALA 1069Cb -0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 2c42 s ALA 1069CO 0.22 -0.47 1.08 0.95 0.00 0.00 0.00 175.76 177.54 2c42 s THR 1070N 1.50 3.58 -0.02 0.00 -4.23 -1.26 -4.13 115.64 111.09 2c42 s THR 1070Ca 0.06 0.79 -0.16 0.00 -1.18 0.00 0.00 61.69 61.20 2c42 s THR 1070Cb -0.15 -3.30 0.03 0.00 1.34 0.00 0.00 72.50 70.42 2c42 s THR 1070CO -0.02 -0.40 0.34 0.00 -0.54 0.00 0.00 174.62 174.00 2c42 h ILE 1072N 3.81 0.84 -0.02 0.00 3.07 -1.95 -1.02 117.51 122.24 2c42 h ILE 1072Ca -0.29 0.00 0.01 0.00 1.55 0.00 0.00 64.86 66.12 2c42 h ILE 1072Cb 1.17 0.88 -0.00 0.00 -0.27 0.00 0.00 36.82 38.60 2c42 h ILE 1072CO 0.40 0.00 0.02 0.78 -1.05 0.00 0.00 178.15 178.30 2c42 h ASN 1073N 0.00 0.00 1.35 2.16 -0.26 -1.96 -1.96 115.58 114.91 2c42 h ASN 1073Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2c42 h ASN 1073Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 2c42 h ASN 1073CO -0.00 0.00 0.00 1.56 -1.06 0.00 0.00 177.43 177.93 2c42 h GLN 1074N 0.00 0.00 -3.80 0.81 4.20 -1.54 -3.43 115.11 111.35 2c42 h GLN 1074Ca 0.01 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.55 2c42 h GLN 1074Cb 0.05 0.00 0.08 0.00 0.30 0.00 0.00 27.48 27.91 2c42 h GLN 1074CO -0.00 0.00 -0.38 0.41 -0.67 0.00 0.00 178.83 178.19 2c42 n GLY 1075N 0.40 0.06 3.64 3.46 0.00 -0.74 -2.27 105.19 109.74 2c42 n GLY 1075Ca 0.02 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2c42 n GLY 1075CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c42 n LEU 1076N -2.61 3.82 0.22 0.99 4.32 -1.26 -0.42 117.00 122.06 2c42 n LEU 1076Ca -0.13 0.63 0.11 0.00 -0.02 0.00 0.00 56.01 56.60 2c42 n LEU 1076Cb 0.58 -1.54 0.68 0.00 -1.62 0.00 0.00 43.42 41.52 2c42 n LEU 1076CO 0.31 -0.14 1.09 0.08 -1.22 0.00 0.00 177.39 177.51 2c42 h ARG 1077N 12.33 0.00 -0.47 3.23 0.11 -1.72 -2.73 114.38 125.13 2c42 h ARG 1077Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2c42 h ARG 1077Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2c42 h ARG 1077CO 0.95 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.65 2c42 n LYS 1078N -4.43 2.60 0.00 0.08 5.02 -1.26 -5.07 118.16 115.09 2c42 n LYS 1078Ca -0.01 -2.25 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 2c42 n LYS 1078Cb 0.17 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2c42 n LYS 1078CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c42 n GLY 1079N 1.09 2.89 0.08 0.72 0.00 -1.03 -4.74 105.19 104.20 2c42 n GLY 1079Ca 0.17 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.44 2c42 n GLY 1079CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2c42 n MET 1080N 0.18 0.11 0.00 1.61 2.81 -1.26 -1.69 117.12 118.87 2c42 n MET 1080Ca 0.00 0.37 0.07 0.00 -1.81 0.00 0.00 57.70 56.33 2c42 n MET 1080Cb 0.00 -1.72 0.36 0.00 -0.71 0.00 0.00 33.22 31.15 2c42 n MET 1080CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c42 n GLY 1081N -0.13 -0.71 1.16 3.03 0.00 -1.21 -1.20 105.19 106.14 2c42 n GLY 1081Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.07 2c42 n GLY 1081CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c42 n LYS 1082N -1.25 2.90 -0.14 1.61 4.76 -0.68 -3.78 118.16 121.57 2c42 n LYS 1082Ca 0.07 -2.52 -0.03 0.00 -2.87 0.00 0.00 58.31 52.96 2c42 n LYS 1082Cb 0.10 -1.53 0.04 0.00 -1.84 0.00 0.00 35.03 31.81 2c42 n LYS 1082CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2c42 h SER 1083N 3.55 -0.29 -0.79 4.39 0.02 -1.35 0.69 113.55 119.78 2c42 h SER 1083Ca 0.00 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2c42 h SER 1083Cb 0.98 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 2c42 h SER 1083CO 0.03 -0.10 0.51 1.56 -1.14 0.00 0.00 176.83 177.69 2c42 h GLN 1084N 0.06 1.05 -0.67 3.45 1.08 -1.84 0.16 115.11 118.40 2c42 h GLN 1084Ca 0.23 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.30 2c42 h GLN 1084Cb 0.34 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2c42 h GLN 1084CO -0.42 0.70 0.19 -0.44 -0.95 0.00 0.00 178.83 177.91 2c42 h ASP 1085N 1.07 0.98 -0.46 1.46 3.32 -1.64 0.36 116.42 121.52 2c42 h ASP 1085Ca 0.29 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 2c42 h ASP 1085Cb -0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 2c42 h ASP 1085CO -0.06 0.93 -0.04 0.58 -1.72 0.00 0.00 179.24 178.93 2c42 h VAL 1086N 1.00 1.27 -0.64 -1.35 2.07 -0.13 -0.65 116.25 117.82 2c42 h VAL 1086Ca 0.22 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2c42 h VAL 1086Cb 0.32 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2c42 h VAL 1086CO -0.00 0.39 0.26 0.24 0.02 0.00 0.00 177.57 178.48 2c42 h MET 1087N 0.69 0.94 0.15 1.57 2.86 -0.36 0.10 114.93 120.88 2c42 h MET 1087Ca 0.12 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2c42 h MET 1087Cb 0.56 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2c42 h MET 1087CO 0.03 0.76 -0.07 -0.97 1.06 0.00 0.00 176.91 177.72 2c42 h ASN 1088N 0.92 -0.17 0.24 1.22 -0.00 -0.53 -3.06 115.58 114.20 2c42 h ASN 1088Ca 0.22 -0.15 -0.08 0.00 -0.00 0.00 0.00 56.30 56.29 2c42 h ASN 1088Cb 0.17 0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.52 2c42 h ASN 1088CO -0.02 0.05 -0.32 0.74 -0.00 0.00 0.00 177.43 177.87 2c42 h THR 1089N -0.39 1.26 -0.97 -3.57 2.02 -0.91 -1.42 112.91 108.92 2c42 h THR 1089Ca -0.02 -1.23 0.11 0.00 0.77 0.00 0.00 66.41 66.04 2c42 h THR 1089Cb 0.31 1.57 -0.08 0.00 -1.74 0.00 0.00 68.15 68.21 2c42 h THR 1089CO 0.03 0.36 0.62 0.00 0.37 0.00 0.00 175.52 176.91 2c42 h ALA 1090N 1.55 1.55 0.01 6.16 0.00 -0.70 0.13 119.26 127.96 2c42 h ALA 1090Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2c42 h ALA 1090Cb 0.63 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2c42 h ALA 1090CO 0.05 0.24 -0.01 0.28 0.00 0.00 0.00 179.25 179.81 2c42 h VAL 1091N 0.99 1.22 -0.99 0.00 2.07 -1.35 0.39 116.25 118.58 2c42 h VAL 1091Ca 0.47 -1.87 0.14 0.00 0.82 0.00 0.00 66.70 66.25 2c42 h VAL 1091Cb 0.43 2.29 -0.09 0.00 -1.52 0.00 0.00 31.29 32.41 2c42 h VAL 1091CO -0.23 0.41 0.62 0.11 0.02 0.00 0.00 177.57 178.50 2c42 h LYS 1092N -0.98 0.88 0.00 1.57 1.57 -1.04 0.91 116.57 119.48 2c42 h LYS 1092Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2c42 h LYS 1092Cb 0.68 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2c42 h LYS 1092CO 0.00 0.58 0.00 -1.13 -0.57 0.00 0.00 179.45 178.33 2c42 n SER 1093N -4.63 0.52 0.00 0.86 3.41 0.43 -1.94 113.62 112.27 2c42 n SER 1093Ca 0.19 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 2c42 n SER 1093Cb 0.41 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2c42 n SER 1093CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c42 n GLY 1094N 0.13 0.85 0.25 5.00 0.00 0.31 -4.11 105.19 107.63 2c42 n GLY 1094Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2c42 n GLY 1094CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2c42 h TYR 1095N 0.00 0.87 -2.72 1.61 3.20 -1.56 -3.36 116.97 115.00 2c42 h TYR 1095Ca 0.00 -0.07 -0.61 0.00 3.14 0.00 0.00 58.73 61.19 2c42 h TYR 1095Cb 0.00 -0.26 -0.40 0.00 1.54 0.00 0.00 36.73 37.61 2c42 h TYR 1095CO 0.00 0.72 -0.76 1.87 -1.64 0.00 0.00 178.16 178.35 2c42 n TRP 1096N -4.48 1.41 -2.16 -3.82 -0.00 0.13 -4.99 117.44 103.54 2c42 n TRP 1096Ca 0.03 -3.87 -0.40 0.00 -0.00 0.00 0.00 57.50 53.27 2c42 n TRP 1096Cb 0.18 -0.24 -0.02 0.00 -0.00 0.00 0.00 31.31 31.23 2c42 n TRP 1096CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2c42 s PRO 1097N -0.85 4.16 -0.11 5.87 0.04 -1.26 -4.08 135.00 138.76 2c42 s PRO 1097Ca 0.29 2.08 -0.08 0.00 0.04 0.00 0.00 61.00 63.33 2c42 s PRO 1097Cb 0.00 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 2c42 s PRO 1097CO -0.18 -0.30 0.18 -0.51 0.04 0.00 0.00 177.00 176.23 2c42 s LEU 1098N -2.16 4.38 0.25 -3.56 1.43 -1.26 -4.87 118.68 112.89 2c42 s LEU 1098Ca 0.53 0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 53.93 2c42 s LEU 1098Cb -0.37 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 43.74 2c42 s LEU 1098CO 0.47 0.37 0.75 0.72 0.23 0.00 0.00 176.35 178.89 2c42 s PHE 1099N -0.87 -0.20 -0.04 0.29 -0.12 -1.26 -0.05 117.98 115.74 2c42 s PHE 1099Ca 0.16 -0.22 -0.02 0.00 -0.05 0.00 0.00 56.93 56.80 2c42 s PHE 1099Cb -0.13 0.69 0.03 0.00 -0.63 0.00 0.00 43.02 42.98 2c42 s PHE 1099CO 0.05 -1.15 0.08 1.03 -0.05 0.00 0.00 175.22 175.18 2c42 s ARG 1100N -3.81 0.04 -0.31 1.99 0.52 0.04 -1.68 118.95 115.73 2c42 s ARG 1100Ca 0.11 0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.53 2c42 s ARG 1100Cb -0.05 -0.16 0.06 0.00 0.52 0.00 0.00 34.95 35.32 2c42 s ARG 1100CO 0.05 -0.13 0.03 -0.47 0.02 0.00 0.00 175.30 174.80 2c42 s TYR 1101N 0.88 3.31 -0.34 -0.53 5.04 0.22 -0.22 117.35 125.70 2c42 s TYR 1101Ca -0.07 -1.94 0.00 0.00 -2.44 0.00 0.00 57.07 52.62 2c42 s TYR 1101Cb -0.10 -2.26 0.09 0.00 0.35 0.00 0.00 41.96 40.04 2c42 s TYR 1101CO -0.03 -0.82 0.07 0.34 -1.34 0.00 0.00 175.55 173.76 2c42 s ASP 1102N 1.31 4.93 0.56 4.32 -1.08 -0.13 -1.65 116.67 124.93 2c42 s ASP 1102Ca -0.03 -1.81 0.30 0.00 -0.52 0.00 0.00 52.55 50.48 2c42 s ASP 1102Cb -0.20 -1.71 1.46 0.00 -1.46 0.00 0.00 42.92 41.01 2c42 s ASP 1102CO -0.01 -0.39 1.89 -0.65 0.52 0.00 0.00 175.17 176.53 2c42 h PRO 1103N 7.87 0.00 -0.13 4.34 0.11 -1.83 -0.85 132.00 141.52 2c42 h PRO 1103Ca -0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 2c42 h PRO 1103Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2c42 h PRO 1103CO 0.58 0.00 0.05 0.00 -0.21 0.00 0.00 178.00 178.41 2c42 h ARG 1104N 0.00 0.18 -0.47 1.05 3.08 -1.93 -1.98 114.38 114.30 2c42 h ARG 1104Ca 0.30 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 60.20 2c42 h ARG 1104Cb 1.40 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 2c42 h ARG 1104CO -0.00 0.16 -0.25 -0.07 -1.07 0.00 0.00 179.97 178.74 2c42 h LEU 1105N 0.18 1.02 -1.29 3.04 3.38 -1.44 -2.83 115.31 117.38 2c42 h LEU 1105Ca 0.05 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2c42 h LEU 1105Cb 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2c42 h LEU 1105CO -0.00 1.21 0.22 0.00 0.09 0.00 0.00 178.44 179.96 2c42 h ALA 1106N 0.85 1.44 0.00 1.53 0.00 -1.01 0.83 119.26 122.90 2c42 h ALA 1106Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2c42 h ALA 1106Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2c42 h ALA 1106CO 0.07 0.43 -0.19 0.00 0.00 0.00 0.00 179.25 179.57 2c42 h ALA 1107N 1.53 1.37 -0.31 0.00 0.00 -1.24 -1.29 119.26 119.32 2c42 h ALA 1107Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2c42 h ALA 1107Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2c42 h ALA 1107CO -0.02 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.50 2c42 n GLN 1108N -3.85 1.82 -1.03 0.00 6.02 -0.06 -4.89 117.38 115.38 2c42 n GLN 1108Ca -0.02 -1.27 -0.01 0.00 -0.01 0.00 0.00 57.00 55.70 2c42 n GLN 1108Cb 0.28 -1.32 -0.00 0.00 1.02 0.00 0.00 30.24 30.22 2c42 n GLN 1108CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2c42 n GLY 1109N 1.10 0.50 3.69 1.08 0.00 -0.49 -5.03 105.19 106.04 2c42 n GLY 1109Ca 0.13 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 2c42 n GLY 1109CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c42 s LYS 1110N -1.17 2.44 -0.01 1.61 1.02 0.09 -4.98 119.74 118.73 2c42 s LYS 1110Ca 0.00 -1.34 -0.30 0.00 0.02 0.00 0.00 55.97 54.35 2c42 s LYS 1110Cb 0.00 -2.25 -0.06 0.00 -0.52 0.00 0.00 37.83 35.00 2c42 s LYS 1110CO 0.00 0.36 1.50 1.21 -0.92 0.00 0.00 175.35 177.50 2c42 s ASN 1111N -3.72 6.76 0.41 2.83 3.84 -1.26 -2.41 114.94 121.39 2c42 s ASN 1111Ca 0.32 2.19 0.18 0.00 0.21 0.00 0.00 52.86 55.76 2c42 s ASN 1111Cb -0.06 -2.55 0.91 0.00 -0.55 0.00 0.00 41.25 38.99 2c42 s ASN 1111CO 0.21 -0.81 1.88 1.55 -2.79 0.00 0.00 177.10 177.14 2c42 h PRO 1112N 8.37 0.00 -5.93 0.43 0.13 -1.87 -3.44 132.00 129.69 2c42 h PRO 1112Ca -0.38 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.17 2c42 h PRO 1112Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2c42 h PRO 1112CO 0.93 0.30 0.29 0.12 -0.23 0.00 0.00 178.00 179.40 2c42 s PHE 1113N -4.09 3.45 -0.08 1.56 5.36 -1.26 -0.96 117.98 121.96 2c42 s PHE 1113Ca -0.02 1.22 0.02 0.00 -0.96 0.00 0.00 56.93 57.18 2c42 s PHE 1113Cb 0.13 -2.94 0.01 0.00 -0.34 0.00 0.00 43.02 39.89 2c42 s PHE 1113CO 0.68 -0.16 -0.13 -0.65 -1.46 0.00 0.00 175.22 173.50 2c42 s GLN 1114N 1.81 1.87 -0.19 10.12 -0.21 0.69 -4.58 119.66 129.17 2c42 s GLN 1114Ca 0.37 -0.45 -0.19 0.00 0.02 0.00 0.00 55.36 55.11 2c42 s GLN 1114Cb -0.17 -1.58 -0.03 0.00 1.00 0.00 0.00 33.01 32.23 2c42 s GLN 1114CO 0.14 -0.02 0.55 -1.17 -2.12 0.00 0.00 175.29 172.67 2c42 s LEU 1115N 0.84 4.16 0.00 2.90 0.20 -1.26 -0.78 118.68 124.73 2c42 s LEU 1115Ca -0.11 0.74 0.20 0.00 0.69 0.00 0.00 54.13 55.65 2c42 s LEU 1115Cb -0.15 -2.77 -0.04 0.00 -0.43 0.00 0.00 46.19 42.80 2c42 s LEU 1115CO 0.02 -0.20 0.97 0.47 -0.29 0.00 0.00 176.35 177.32 2c42 n ASP 1116N 4.78 1.72 -4.65 3.68 8.00 0.93 -4.96 116.55 126.04 2c42 n ASP 1116Ca -0.04 -1.36 -0.30 0.00 0.71 0.00 0.00 54.79 53.80 2c42 n ASP 1116Cb 0.50 0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 42.08 2c42 n ASP 1116CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c42 s SER 1117N -2.37 3.87 0.36 -2.24 1.04 -1.12 -4.87 113.70 108.37 2c42 s SER 1117Ca 0.15 -1.54 0.08 0.00 0.48 0.00 0.00 55.95 55.12 2c42 s SER 1117Cb 0.16 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 2c42 s SER 1117CO 0.56 -0.70 0.31 -0.54 0.98 0.00 0.00 173.24 173.85 2c42 s LYS 1118N -3.81 2.66 0.54 4.02 -0.14 -1.26 -4.91 119.74 116.84 2c42 s LYS 1118Ca 0.19 -1.37 -0.20 0.00 -1.36 0.00 0.00 55.97 53.23 2c42 s LYS 1118Cb 0.05 -2.44 -0.07 0.00 -1.68 0.00 0.00 37.83 33.69 2c42 s LYS 1118CO 0.10 0.02 0.91 0.00 -0.76 0.00 0.00 175.35 175.62 2c42 n ALA 1119N -1.41 -0.02 -1.60 5.17 0.00 -1.26 -4.74 120.51 116.65 2c42 n ALA 1119Ca -0.00 0.07 -0.56 0.00 0.00 0.00 0.00 53.44 52.94 2c42 n ALA 1119Cb 0.60 -2.06 -0.07 0.00 0.00 0.00 0.00 19.45 17.93 2c42 n ALA 1119CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2c42 n PRO 1120N -0.48 0.72 0.00 0.00 -0.02 -1.26 -4.81 135.00 129.15 2c42 n PRO 1120Ca 0.12 0.26 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 2c42 n PRO 1120Cb 0.45 -1.86 0.61 0.00 -0.02 0.00 0.00 33.50 32.68 2c42 n PRO 1120CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2c42 n ASP 1121N 2.86 1.19 0.00 2.55 5.68 -0.82 -4.93 116.55 123.08 2c42 n ASP 1121Ca 0.21 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 2c42 n ASP 1121Cb 0.13 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2c42 n ASP 1121CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c42 n GLY 1122N 1.14 0.73 1.23 6.12 0.00 -1.26 -4.95 105.19 108.19 2c42 n GLY 1122Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 2c42 n GLY 1122CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c42 n SER 1123N 0.00 3.58 -0.34 1.61 3.41 -1.26 -4.52 113.62 116.09 2c42 n SER 1123Ca 0.00 -1.99 0.02 0.00 -0.26 0.00 0.00 58.87 56.63 2c42 n SER 1123Cb 0.00 -0.42 0.16 0.00 -0.26 0.00 0.00 64.21 63.69 2c42 n SER 1123CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 2c42 h VAL 1124N 4.02 1.06 -0.44 -3.33 3.04 -1.93 -1.39 116.25 117.28 2c42 h VAL 1124Ca 0.00 -0.36 0.06 0.00 -1.01 0.00 0.00 66.70 65.38 2c42 h VAL 1124Cb 0.91 -0.09 -0.05 0.00 -2.01 0.00 0.00 31.29 30.05 2c42 h VAL 1124CO 0.00 0.19 0.15 -0.08 -1.01 0.00 0.00 177.57 176.83 2c42 h GLU 1125N 1.06 0.31 -0.71 4.17 4.57 -1.94 0.15 114.58 122.19 2c42 h GLU 1125Ca 0.40 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.50 2c42 h GLU 1125Cb 0.18 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2c42 h GLU 1125CO -0.18 0.21 0.19 0.93 -1.18 0.00 0.00 179.01 178.98 2c42 h GLU 1126N 0.32 1.12 -0.15 1.92 5.08 -1.77 -1.55 114.58 119.55 2c42 h GLU 1126Ca 0.21 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2c42 h GLU 1126Cb 0.20 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2c42 h GLU 1126CO -0.21 0.98 -0.06 0.35 -1.00 0.00 0.00 179.01 179.06 2c42 h PHE 1127N 1.06 -0.13 -0.11 4.33 3.57 -0.33 -1.78 116.94 123.55 2c42 h PHE 1127Ca 0.22 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2c42 h PHE 1127Cb 0.34 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 2c42 h PHE 1127CO 0.03 -0.10 0.03 -0.07 -2.23 0.00 0.00 178.31 175.97 2c42 h LEU 1128N -0.04 0.16 -0.83 0.59 3.38 -0.84 -3.03 115.31 114.71 2c42 h LEU 1128Ca 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2c42 h LEU 1128Cb 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2c42 h LEU 1128CO -0.17 0.33 0.00 0.23 0.09 0.00 0.00 178.44 178.92 2c42 n MET 1129N -4.88 0.16 -0.01 1.13 2.81 -0.60 -1.72 117.12 114.01 2c42 n MET 1129Ca -0.06 0.47 0.14 0.00 -1.81 0.00 0.00 57.70 56.45 2c42 n MET 1129Cb 0.14 -1.86 0.66 0.00 -0.71 0.00 0.00 33.22 31.46 2c42 n MET 1129CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c42 n ALA 1130N -1.75 2.61 -3.24 3.04 0.00 -0.68 -4.61 120.51 115.89 2c42 n ALA 1130Ca 0.01 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.80 2c42 n ALA 1130Cb 0.16 -1.30 -0.17 0.00 0.00 0.00 0.00 19.45 18.15 2c42 n ALA 1130CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2c42 s GLN 1131N -1.98 3.00 0.53 0.00 -0.21 -0.70 -1.82 119.66 118.49 2c42 s GLN 1131Ca 0.40 -0.86 0.20 0.00 0.02 0.00 0.00 55.36 55.11 2c42 s GLN 1131Cb 0.20 -2.27 1.40 0.00 1.00 0.00 0.00 33.01 33.34 2c42 s GLN 1131CO 0.33 0.17 2.17 -0.97 -2.12 0.00 0.00 175.29 174.87 2c42 h ASN 1132N 6.73 0.00 0.05 5.90 -1.24 -0.57 -0.81 115.58 125.65 2c42 h ASN 1132Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.81 2c42 h ASN 1132Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 2c42 h ASN 1132CO 0.47 0.01 0.00 0.08 -1.29 0.00 0.00 177.43 176.70 2c42 h ARG 1133N 0.00 0.00 0.00 6.67 0.11 -1.71 -1.18 114.38 118.26 2c42 h ARG 1133Ca -0.00 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.82 2c42 h ARG 1133Cb 0.02 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.06 2c42 h ARG 1133CO 0.00 0.00 -1.88 1.19 0.10 0.00 0.00 179.97 179.38 2c42 n PHE 1134N -2.84 0.00 -0.22 4.08 3.01 -0.56 -0.62 117.46 120.31 2c42 n PHE 1134Ca -0.02 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.47 2c42 n PHE 1134Cb 0.07 -0.58 0.28 0.00 -0.01 0.00 0.00 39.48 39.24 2c42 n PHE 1134CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2c42 h ALA 1135N -0.39 1.54 -0.35 4.37 0.00 -1.09 -2.18 119.26 121.16 2c42 h ALA 1135Ca -0.39 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.51 2c42 h ALA 1135Cb 1.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2c42 h ALA 1135CO -0.19 0.38 0.24 -0.24 0.00 0.00 0.00 179.25 179.44 2c42 h VAL 1136N 0.95 1.03 -0.31 0.00 3.04 -1.46 -1.06 116.25 118.44 2c42 h VAL 1136Ca 0.31 -0.13 -0.18 0.00 -1.01 0.00 0.00 66.70 65.69 2c42 h VAL 1136Cb 0.05 0.62 -0.00 0.00 -2.01 0.00 0.00 31.29 29.94 2c42 h VAL 1136CO -0.09 0.07 -0.50 0.25 -1.01 0.00 0.00 177.57 176.29 2c42 h LEU 1137N 0.38 0.96 -1.53 3.16 5.85 -1.63 -2.46 115.31 120.05 2c42 h LEU 1137Ca 0.14 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 2c42 h LEU 1137Cb 0.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2c42 h LEU 1137CO -0.03 1.28 0.10 -0.78 -0.34 0.00 0.00 178.44 178.67 2c42 h ASP 1138N 0.68 0.37 0.86 1.25 3.58 -1.13 0.75 116.42 122.78 2c42 h ASP 1138Ca 0.03 -0.03 -0.18 0.00 0.42 0.00 0.00 57.03 57.26 2c42 h ASP 1138Cb 1.10 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 2c42 h ASP 1138CO 0.11 0.36 -0.86 0.03 -2.88 0.00 0.00 179.24 176.00 2c42 h ARG 1139N 0.42 0.00 0.04 0.28 3.08 -1.19 -2.98 114.38 114.02 2c42 h ARG 1139Ca 0.10 -0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.77 2c42 h ARG 1139Cb 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 2c42 h ARG 1139CO -0.01 0.86 -2.24 0.43 -1.07 0.00 0.00 179.97 177.94 2c42 n SER 1140N -3.52 2.01 -3.25 7.04 7.64 -0.88 -4.71 113.62 117.95 2c42 n SER 1140Ca -0.00 0.09 -0.25 0.00 1.01 0.00 0.00 58.87 59.72 2c42 n SER 1140Cb 0.82 -0.66 -0.07 0.00 -1.01 0.00 0.00 64.21 63.29 2c42 n SER 1140CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2c42 n PHE 1141N -3.60 1.19 -0.30 1.43 3.01 0.26 -4.99 117.46 114.45 2c42 n PHE 1141Ca -0.42 -3.80 0.11 0.00 1.01 0.00 0.00 57.45 54.36 2c42 n PHE 1141Cb 0.96 -0.43 0.28 0.00 -0.01 0.00 0.00 39.48 40.29 2c42 n PHE 1141CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2c42 h PRO 1142N 3.92 0.47 0.01 -1.08 0.13 -1.56 -0.49 132.00 133.40 2c42 h PRO 1142Ca 0.12 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2c42 h PRO 1142Cb 0.80 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2c42 h PRO 1142CO 0.60 0.31 -0.00 0.93 -0.23 0.00 0.00 178.00 179.61 2c42 h GLU 1143N 0.48 -0.01 -0.47 0.86 5.08 -1.91 -1.18 114.58 117.44 2c42 h GLU 1143Ca 0.53 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.86 2c42 h GLU 1143Cb 0.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2c42 h GLU 1143CO -0.47 0.24 0.16 -0.44 -1.00 0.00 0.00 179.01 177.49 2c42 h ASP 1144N -0.26 0.68 -0.22 1.42 3.45 -1.86 -2.74 116.42 116.89 2c42 h ASP 1144Ca -0.00 -0.20 0.03 0.00 0.43 0.00 0.00 57.03 57.29 2c42 h ASP 1144Cb 0.25 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.81 2c42 h ASP 1144CO 0.00 0.69 0.03 0.00 -1.57 0.00 0.00 179.24 178.39 2c42 h ALA 1145N 1.01 0.21 -0.75 3.45 0.00 -1.05 0.12 119.26 122.24 2c42 h ALA 1145Ca 0.15 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.21 2c42 h ALA 1145Cb 0.25 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2c42 h ALA 1145CO -0.01 -0.40 0.39 -0.22 0.00 0.00 0.00 179.25 179.01 2c42 h LYS 1146N 0.10 0.63 -0.42 0.00 3.64 -1.15 0.10 116.57 119.48 2c42 h LYS 1146Ca 0.10 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2c42 h LYS 1146Cb 0.11 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2c42 h LYS 1146CO -0.15 0.41 0.02 -0.09 -2.27 0.00 0.00 179.45 177.38 2c42 h ARG 1147N 0.64 0.72 -0.11 1.90 2.43 -1.05 -2.49 114.38 116.43 2c42 h ARG 1147Ca 0.37 -0.22 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 2c42 h ARG 1147Cb 0.40 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2c42 h ARG 1147CO -0.28 0.79 -0.52 -0.07 -1.51 0.00 0.00 179.97 178.39 2c42 h LEU 1148N 0.56 0.32 -0.65 3.80 3.38 0.05 -1.43 115.31 121.34 2c42 h LEU 1148Ca 0.12 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2c42 h LEU 1148Cb 0.45 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2c42 h LEU 1148CO 0.02 0.78 -0.62 0.03 0.09 0.00 0.00 178.44 178.74 2c42 h ARG 1149N 0.23 0.21 -0.25 1.13 3.08 -0.79 -1.62 114.38 116.37 2c42 h ARG 1149Ca 0.01 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.76 2c42 h ARG 1149Cb 0.99 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 2c42 h ARG 1149CO 0.08 0.76 -0.46 0.00 -1.07 0.00 0.00 179.97 179.28 2c42 h ALA 1150N 1.20 0.71 -0.52 0.04 0.00 -1.26 -2.17 119.26 117.26 2c42 h ALA 1150Ca -0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2c42 h ALA 1150Cb 1.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2c42 h ALA 1150CO 0.09 0.67 0.19 0.37 0.00 0.00 0.00 179.25 180.58 2c42 h GLN 1151N 0.52 0.79 -0.67 0.00 4.15 -0.98 -1.29 115.11 117.63 2c42 h GLN 1151Ca 0.03 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 2c42 h GLN 1151Cb 1.01 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 2c42 h GLN 1151CO 0.09 0.71 0.35 0.28 -1.93 0.00 0.00 178.83 178.33 2c42 h VAL 1152N 0.71 1.22 -0.90 2.39 2.07 -1.19 0.26 116.25 120.81 2c42 h VAL 1152Ca 0.17 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2c42 h VAL 1152Cb 0.22 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2c42 h VAL 1152CO -0.01 0.24 0.59 0.00 0.02 0.00 0.00 177.57 178.41 2c42 h ALA 1153N 1.17 1.16 -0.39 1.67 0.00 -1.04 -1.49 119.26 120.33 2c42 h ALA 1153Ca 0.23 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 2c42 h ALA 1153Cb 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2c42 h ALA 1153CO -0.03 0.50 -0.35 1.25 0.00 0.00 0.00 179.25 180.62 2c42 h HIS 1154N 1.19 1.07 -0.23 0.00 6.17 -0.69 -2.57 115.15 120.08 2c42 h HIS 1154Ca 0.34 -0.31 0.01 0.00 0.71 0.00 0.00 60.37 61.12 2c42 h HIS 1154Cb -0.09 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 29.59 2c42 h HIS 1154CO -0.01 1.12 0.13 0.93 0.71 0.00 0.00 177.93 180.81 2c42 h GLU 1155N 0.75 0.27 0.00 5.26 5.08 -0.35 -1.23 114.58 124.36 2c42 h GLU 1155Ca 0.07 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2c42 h GLU 1155Cb 0.93 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2c42 h GLU 1155CO 0.09 0.18 -0.32 1.37 -1.00 0.00 0.00 179.01 179.32 2c42 h LEU 1156N 0.27 0.00 0.06 1.33 8.10 -1.30 -0.62 115.31 123.15 2c42 h LEU 1156Ca 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.08 2c42 h LEU 1156Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2c42 h LEU 1156CO -0.05 0.32 -0.03 -0.78 -4.11 0.00 0.00 178.44 173.80 2c42 h ASP 1157N 0.00 -0.06 -0.29 0.17 3.58 -1.00 -1.05 116.42 117.76 2c42 h ASP 1157Ca -0.00 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 2c42 h ASP 1157Cb 0.73 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 2c42 h ASP 1157CO 0.04 0.31 0.15 0.58 -2.88 0.00 0.00 179.24 177.44 2c42 h VAL 1158N -0.45 1.14 -0.57 2.25 2.07 -1.09 -2.56 116.25 117.04 2c42 h VAL 1158Ca -0.01 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2c42 h VAL 1158Cb 0.40 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2c42 h VAL 1158CO 0.01 0.14 0.38 -0.09 0.02 0.00 0.00 177.57 178.03 2c42 h ARG 1159N 0.34 0.74 -0.85 1.57 2.43 -1.10 -0.95 114.38 116.57 2c42 h ARG 1159Ca 0.10 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2c42 h ARG 1159Cb 0.09 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 2c42 h ARG 1159CO -0.01 0.49 0.43 0.35 -1.51 0.00 0.00 179.97 179.72 2c42 h PHE 1160N 0.77 1.20 -0.65 2.20 3.57 -1.09 -0.76 116.94 122.18 2c42 h PHE 1160Ca 0.21 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2c42 h PHE 1160Cb -0.09 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.25 2c42 h PHE 1160CO -0.04 0.85 0.24 0.87 -2.23 0.00 0.00 178.31 178.00 2c42 h LYS 1161N 1.20 0.96 -0.30 1.11 1.57 -1.00 0.26 116.57 120.37 2c42 h LYS 1161Ca 0.30 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2c42 h LYS 1161Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2c42 h LYS 1161CO -0.04 0.80 -0.20 0.93 -0.57 0.00 0.00 179.45 180.36 2c42 h GLU 1162N 0.94 0.56 -0.27 3.15 5.08 -0.34 -0.97 114.58 122.73 2c42 h GLU 1162Ca 0.22 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 2c42 h GLU 1162Cb 0.21 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2c42 h GLU 1162CO -0.02 0.73 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.16 2c42 h LEU 1163N 0.50 0.81 -0.85 1.33 3.38 -0.48 -1.23 115.31 118.78 2c42 h LEU 1163Ca 0.08 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2c42 h LEU 1163Cb 0.63 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2c42 h LEU 1163CO 0.04 1.17 0.40 -0.33 0.09 0.00 0.00 178.44 179.81 2c42 h GLU 1164N 0.58 1.22 -0.83 1.13 5.08 -0.59 -1.08 114.58 120.10 2c42 h GLU 1164Ca 0.03 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2c42 h GLU 1164Cb 1.07 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 2c42 h GLU 1164CO 0.10 0.94 0.40 1.25 -1.00 0.00 0.00 179.01 180.71 2c42 h HIS 1165N 1.21 1.18 -0.74 4.33 2.76 -0.92 -0.90 115.15 122.08 2c42 h HIS 1165Ca 0.29 -0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2c42 h HIS 1165Cb 0.13 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 2c42 h HIS 1165CO 0.02 0.85 0.22 0.52 -1.30 0.00 0.00 177.93 178.24 2c42 h MET 1166N 1.17 1.15 -0.01 5.26 2.86 -0.48 -1.68 114.93 123.21 2c42 h MET 1166Ca 0.28 -0.25 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 2c42 h MET 1166Cb 0.11 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2c42 h MET 1166CO -0.04 0.99 -0.64 0.00 1.06 0.00 0.00 176.91 178.27 2c42 h ALA 1167N 1.13 0.92 0.00 6.32 0.00 -0.77 -3.23 119.26 123.63 2c42 h ALA 1167Ca 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2c42 h ALA 1167Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2c42 h ALA 1167CO -0.01 0.80 -0.66 0.00 0.00 0.00 0.00 179.25 179.38 2c42 h ALA 1168N 1.34 0.66 -2.87 0.00 0.00 -1.01 -3.48 119.26 113.90 2c42 h ALA 1168Ca -0.01 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.35 2c42 h ALA 1168Cb 1.14 0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.10 2c42 h ALA 1168CO 0.09 0.00 0.33 -2.37 0.00 0.00 0.00 179.25 177.29 2c42 n THR 1169N -2.70 3.68 0.41 0.00 5.66 -0.65 -4.92 114.28 115.76 2c42 n THR 1169Ca 0.02 -0.40 0.06 0.00 -3.05 0.00 0.00 64.05 60.67 2c42 n THR 1169Cb 0.53 -1.29 0.07 0.00 -1.55 0.00 0.00 70.33 68.08 2c42 n THR 1169CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2c42 n ASN 1170N -2.02 2.19 -4.19 1.09 6.94 -1.26 -4.87 115.26 113.14 2c42 n ASN 1170Ca 0.14 -1.59 -0.35 0.00 -0.02 0.00 0.00 54.58 52.77 2c42 n ASN 1170Cb 0.49 -0.04 -0.14 0.00 -2.36 0.00 0.00 39.78 37.73 2c42 n ASN 1170CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2c42 s ILE 1171N -1.03 2.93 0.20 1.53 2.07 -1.26 -5.05 121.20 120.58 2c42 s ILE 1171Ca 0.16 -1.21 0.02 0.00 -1.41 0.00 0.00 60.65 58.22 2c42 s ILE 1171Cb 0.11 -2.59 -0.05 0.00 0.13 0.00 0.00 42.46 40.06 2c42 s ILE 1171CO 0.16 0.05 0.02 0.72 -1.91 0.00 0.00 174.94 173.98 2c42 s PHE 1172N 1.29 1.35 -0.72 3.50 -0.71 -1.26 -5.09 117.98 116.33 2c42 s PHE 1172Ca -0.03 -1.04 -0.26 0.00 -1.04 0.00 0.00 56.93 54.56 2c42 s PHE 1172Cb -0.18 -0.78 0.01 0.00 -1.21 0.00 0.00 43.02 40.86 2c42 s PHE 1172CO -0.03 -0.21 1.56 -1.21 -1.34 0.00 0.00 175.22 174.00 2c42 s GLU 1173N -3.93 2.96 0.32 1.99 2.02 -1.26 -4.98 118.70 115.82 2c42 s GLU 1173Ca 0.28 0.02 0.07 0.00 0.02 0.00 0.00 54.97 55.36 2c42 s GLU 1173Cb 0.06 -4.41 -0.03 0.00 0.10 0.00 0.00 34.13 29.85 2c42 s GLU 1173CO 0.07 -2.46 0.28 -1.54 0.02 0.00 0.00 175.26 171.62 2c42 s SER 1174N 5.82 5.32 0.08 -0.19 1.04 -1.26 -4.93 113.70 119.58 2c42 s SER 1174Ca 0.51 -0.46 0.09 0.00 0.48 0.00 0.00 55.95 56.56 2c42 s SER 1174Cb -0.09 -1.03 -0.03 0.00 0.10 0.00 0.00 66.02 64.96 2c42 s SER 1174CO 0.14 -0.31 -0.23 -0.36 0.98 0.00 0.00 173.24 173.47 2c42 s PHE 1175N -2.28 2.00 1.19 5.02 0.40 -1.26 -5.14 117.98 117.91 2c42 s PHE 1175Ca 0.40 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 56.16 2c42 s PHE 1175Cb -0.06 -1.15 0.28 0.00 0.51 0.00 0.00 43.02 42.60 2c42 s PHE 1175CO 0.26 0.18 1.06 0.00 0.70 0.00 0.00 175.22 177.42 2c42 s ALA 1176N -0.94 0.25 0.00 5.36 0.00 -1.26 -4.94 121.76 120.22 2c42 s ALA 1176Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2c42 s ALA 1176Cb -0.10 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2c42 s ALA 1176CO 0.03 -3.64 0.98 -0.35 0.00 0.00 0.00 175.76 172.78 2c42 n PRO 1177N -4.81 0.00 -3.39 0.00 -0.04 -1.26 -4.98 135.00 120.52 2c42 n PRO 1177Ca 0.09 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 2c42 n PRO 1177Cb 0.58 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2c42 n PRO 1177CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2c42 n ALA 1178N -2.79 0.00 -0.07 0.55 0.00 -1.26 -5.04 120.51 111.89 2c42 n ALA 1178Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2c42 n ALA 1178Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2c42 n ALA 1178CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c42 n GLY 1179N 0.00 -0.21 0.00 0.00 0.00 -1.26 -5.14 105.19 98.58 2c42 n GLY 1179Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2c42 n GLY 1179CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c42 n GLY 1180N 2.67 1.57 3.75 -0.02 0.00 -1.26 -4.99 105.19 106.91 2c42 n GLY 1180Ca -0.26 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 2c42 n GLY 1180CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c42 n LYS 1181N 1.49 1.98 -3.66 1.61 5.02 -1.26 -5.00 118.16 118.34 2c42 n LYS 1181Ca 0.00 0.71 -0.29 0.00 -2.02 0.00 0.00 58.31 56.71 2c42 n LYS 1181Cb 0.00 -2.57 -0.15 0.00 -0.02 0.00 0.00 35.03 32.29 2c42 n LYS 1181CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c42 s ALA 1182N -1.24 1.19 -0.72 7.82 0.00 -1.26 -5.08 121.76 122.47 2c42 s ALA 1182Ca 0.65 -1.46 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 2c42 s ALA 1182Cb -0.44 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.15 2c42 s ALA 1182CO 0.54 -1.67 1.48 0.34 0.00 0.00 0.00 175.76 176.45 2c42 s ASP 1183N 1.78 5.88 0.00 0.00 2.15 -1.26 -4.77 116.67 120.46 2c42 s ASP 1183Ca 0.10 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.81 2c42 s ASP 1183Cb -0.17 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 2c42 s ASP 1183CO -0.29 -2.01 0.00 0.61 -0.17 0.00 0.00 175.17 173.31 2c42 n GLY 1184N 5.59 0.01 3.82 2.66 0.00 -1.26 -5.12 105.19 110.88 2c42 n GLY 1184Ca 0.11 -2.28 -0.08 0.00 0.00 0.00 0.00 46.02 43.77 2c42 n GLY 1184CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c42 s SER 1185N -3.41 -0.15 0.00 1.61 1.04 -1.26 -5.18 113.70 106.35 2c42 s SER 1185Ca 0.00 -0.81 -0.06 0.00 0.48 0.00 0.00 55.95 55.56 2c42 s SER 1185Cb 0.00 0.76 -0.00 0.00 0.10 0.00 0.00 66.02 66.88 2c42 s SER 1185CO 0.00 -1.44 0.12 0.54 0.98 0.00 0.00 173.24 173.44 2c42 s VAL 1186N -3.42 0.08 0.25 5.02 0.11 -1.26 -5.15 120.40 116.04 2c42 s VAL 1186Ca 0.13 -0.69 -0.24 0.00 -2.93 0.00 0.00 61.98 58.25 2c42 s VAL 1186Cb -0.05 -0.41 -0.09 0.00 -1.53 0.00 0.00 36.38 34.30 2c42 s VAL 1186CO 0.09 -0.38 0.84 -0.62 -3.33 0.00 0.00 175.10 171.69 2c42 s ASP 1187N -1.34 7.28 0.59 3.54 -1.08 -1.26 -4.95 116.67 119.44 2c42 s ASP 1187Ca -0.14 1.67 0.39 0.00 -0.52 0.00 0.00 52.55 53.94 2c42 s ASP 1187Cb -0.08 -2.51 2.05 0.00 -1.46 0.00 0.00 42.92 40.92 2c42 s ASP 1187CO 0.01 0.04 2.19 2.19 0.52 0.00 0.00 175.17 180.12 2c42 h PHE 1188N 3.54 0.00 -0.01 -5.34 -5.15 -2.02 -2.47 116.94 105.49 2c42 h PHE 1188Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 2c42 h PHE 1188Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.37 2c42 h PHE 1188CO 0.63 0.00 -0.50 0.41 -2.00 0.00 0.00 178.31 176.84 2c42 n GLY 1189N -0.92 -0.66 3.69 6.09 0.00 -1.26 -4.85 105.19 107.28 2c42 n GLY 1189Ca -0.02 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2c42 n GLY 1189CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2c42 n GLU 1190N -0.83 2.79 -1.17 1.61 2.13 -0.93 -2.31 120.64 121.92 2c42 n GLU 1190Ca 0.08 1.02 -0.06 0.00 0.66 0.00 0.00 57.16 58.86 2c42 n GLU 1190Cb 0.37 -2.91 -0.03 0.00 0.27 0.00 0.00 31.44 29.15 2c42 n GLU 1190CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c42 n GLY 1191N 4.24 0.72 3.78 8.31 0.00 -1.26 -4.99 105.19 115.99 2c42 n GLY 1191Ca 0.18 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2c42 n GLY 1191CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c42 s ALA 1192N -1.86 2.95 0.13 4.61 0.00 -0.98 -4.96 121.76 121.64 2c42 s ALA 1192Ca 0.00 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 2c42 s ALA 1192Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2c42 s ALA 1192CO 0.00 -0.55 1.48 0.93 0.00 0.00 0.00 175.76 177.62 2c42 h GLU 1193N 1.98 0.85 -5.82 0.00 4.39 -1.94 -3.45 114.58 110.60 2c42 h GLU 1193Ca -0.49 -0.41 -0.61 0.00 0.34 0.00 0.00 59.36 58.19 2c42 h GLU 1193Cb 1.24 -0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.77 2c42 h GLU 1193CO 0.60 1.05 -0.59 -0.06 -1.16 0.00 0.00 179.01 178.85 2c42 s PHE 1194N -4.50 2.52 0.40 4.33 0.40 -1.26 -4.45 117.98 115.42 2c42 s PHE 1194Ca -0.12 -0.58 -0.26 0.00 -0.60 0.00 0.00 56.93 55.37 2c42 s PHE 1194Cb 0.10 -1.70 -0.10 0.00 0.51 0.00 0.00 43.02 41.83 2c42 s PHE 1194CO 0.85 0.42 1.21 0.00 0.70 0.00 0.00 175.22 178.40 2c42 n THR 1196N -0.18 0.00 -4.20 0.00 -2.24 -1.26 -4.98 114.28 101.42 2c42 n THR 1196Ca 0.07 -0.42 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 2c42 n THR 1196Cb 0.39 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 69.60 2c42 n THR 1196CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2c42 s ARG 1197N -1.18 0.90 0.53 -0.78 0.52 -1.26 -5.01 118.95 112.67 2c42 s ARG 1197Ca 0.07 -1.02 -0.07 0.00 -0.52 0.00 0.00 55.73 54.19 2c42 s ARG 1197Cb 0.07 -0.95 0.12 0.00 0.52 0.00 0.00 34.95 34.71 2c42 s ARG 1197CO 0.20 0.21 0.73 -0.40 0.02 0.00 0.00 175.30 176.06 2c42 n ASP 1198N 1.16 0.32 -1.94 0.23 3.85 -1.26 -4.99 116.55 113.92 2c42 n ASP 1198Ca -0.20 -1.43 -0.18 0.00 -0.71 0.00 0.00 54.79 52.28 2c42 n ASP 1198Cb 0.54 -0.53 0.20 0.00 -1.35 0.00 0.00 41.12 39.98 2c42 n ASP 1198CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 2c42 n ASP 1199N -3.32 3.52 -5.00 -1.12 5.68 -1.26 -4.84 116.55 110.22 2c42 n ASP 1199Ca 0.10 -3.62 -0.18 0.00 -0.50 0.00 0.00 54.79 50.59 2c42 n ASP 1199Cb 0.35 -0.78 0.01 0.00 -1.14 0.00 0.00 41.12 39.56 2c42 n ASP 1199CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2c42 s THR 1200N -3.26 3.25 0.45 2.12 -4.23 -1.26 -5.02 115.64 107.69 2c42 s THR 1200Ca 0.54 -0.98 0.20 0.00 -1.18 0.00 0.00 61.69 60.27 2c42 s THR 1200Cb 0.46 -3.10 0.24 0.00 1.34 0.00 0.00 72.50 71.43 2c42 s THR 1200CO 0.08 -0.04 2.04 -0.65 -0.54 0.00 0.00 174.62 175.51 2c42 h PRO 1201N 0.68 0.00 -0.12 3.99 0.11 -1.97 -2.97 132.00 131.73 2c42 h PRO 1201Ca -0.41 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.59 2c42 h PRO 1201Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2c42 h PRO 1201CO 0.47 0.15 -0.41 0.52 -0.21 0.00 0.00 178.00 178.52 2c42 h MET 1202N 0.00 0.26 -0.01 1.05 2.86 -1.98 -3.13 114.93 113.98 2c42 h MET 1202Ca -0.00 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2c42 h MET 1202Cb 0.30 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2c42 h MET 1202CO 0.02 0.64 -0.54 -1.33 1.06 0.00 0.00 176.91 176.76 2c42 n MET 1203N -4.02 0.90 -1.74 1.72 2.81 -1.16 -4.96 117.12 110.67 2c42 n MET 1203Ca -0.01 -0.71 -0.42 0.00 -1.81 0.00 0.00 57.70 54.75 2c42 n MET 1203Cb 0.48 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.49 2c42 n MET 1203CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c42 n ALA 1204N -0.43 2.66 -2.15 3.04 0.00 -1.13 -4.97 120.51 117.52 2c42 n ALA 1204Ca 0.09 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 2c42 n ALA 1204Cb 0.42 -2.48 -0.10 0.00 0.00 0.00 0.00 19.45 17.29 2c42 n ALA 1204CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2c42 s ARG 1205N -0.05 0.80 0.31 0.00 1.81 -1.26 -5.02 118.95 115.54 2c42 s ARG 1205Ca 0.67 -1.33 0.08 0.00 -1.72 0.00 0.00 55.73 53.43 2c42 s ARG 1205Cb -0.50 -0.03 0.83 0.00 -0.45 0.00 0.00 34.95 34.81 2c42 s ARG 1205CO 0.44 -0.09 1.74 -1.35 -0.68 0.00 0.00 175.30 175.36 2c42 h PRO 1206N 2.99 0.58 -0.61 3.54 0.11 -2.04 -0.59 132.00 135.98 2c42 h PRO 1206Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2c42 h PRO 1206Cb 1.16 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2c42 h PRO 1206CO 0.64 0.39 0.00 -0.25 -0.21 0.00 0.00 178.00 178.57 2c42 n ASP 1207N -4.88 3.60 -4.96 -2.05 8.00 -1.26 -4.95 116.55 110.06 2c42 n ASP 1207Ca 0.25 -2.25 -0.23 0.00 0.71 0.00 0.00 54.79 53.28 2c42 n ASP 1207Cb 0.69 -0.47 0.02 0.00 -0.02 0.00 0.00 41.12 41.34 2c42 n ASP 1207CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c42 s SER 1208N -0.86 5.61 0.00 -2.24 1.04 -0.23 -4.70 113.70 112.33 2c42 s SER 1208Ca 0.39 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.04 2c42 s SER 1208Cb 0.24 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 65.05 2c42 s SER 1208CO 0.21 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2c42 n GLY 1209N -2.21 1.21 3.79 7.32 0.00 -1.26 -4.87 105.19 109.17 2c42 n GLY 1209Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2c42 n GLY 1209CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c42 s GLU 1210N 0.00 3.44 0.43 1.61 2.12 -1.26 -5.00 118.70 120.04 2c42 s GLU 1210Ca 0.00 1.44 -0.24 0.00 0.36 0.00 0.00 54.97 56.53 2c42 s GLU 1210Cb 0.00 -2.03 -0.08 0.00 0.26 0.00 0.00 34.13 32.28 2c42 s GLU 1210CO 0.00 -0.74 1.17 0.00 -0.54 0.00 0.00 175.26 175.15 2c42 s ALA 1211N -2.01 3.08 0.22 6.30 0.00 -1.26 -5.04 121.76 123.05 2c42 s ALA 1211Ca 0.69 0.96 -0.22 0.00 0.00 0.00 0.00 51.96 53.39 2c42 s ALA 1211Cb -0.20 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.58 2c42 s ALA 1211CO 0.28 -0.59 0.66 0.00 0.00 0.00 0.00 175.76 176.11 2c42 s ASP 1213N -2.84 6.80 -0.04 0.00 -1.08 -1.26 -4.76 116.67 113.48 2c42 s ASP 1213Ca 0.06 1.07 0.08 0.00 -0.52 0.00 0.00 52.55 53.24 2c42 s ASP 1213Cb -0.04 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.18 2c42 s ASP 1213CO -0.02 -0.99 1.13 1.67 0.52 0.00 0.00 175.17 177.47 2c42 n GLN 1214N 7.14 2.08 -2.03 4.34 7.27 -1.26 -0.77 117.38 134.16 2c42 n GLN 1214Ca 0.13 -1.17 -0.15 0.00 0.07 0.00 0.00 57.00 55.88 2c42 n GLN 1214Cb 0.47 -1.49 -0.02 0.00 2.41 0.00 0.00 30.24 31.61 2c42 n GLN 1214CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2c42 n ASN 1215N 0.32 -4.65 -1.07 1.69 3.02 -1.26 -4.89 115.26 108.42 2c42 n ASN 1215Ca 0.11 0.11 0.12 0.00 -0.03 0.00 0.00 54.58 54.88 2c42 n ASN 1215Cb 0.42 -3.69 0.17 0.00 -0.61 0.00 0.00 39.78 36.06 2c42 n ASN 1215CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2c42 n ARG 1216N -2.49 2.41 -0.02 3.52 1.74 -1.26 -4.26 116.66 116.30 2c42 n ARG 1216Ca -0.17 -2.14 0.02 0.00 -0.77 0.00 0.00 57.85 54.78 2c42 n ARG 1216Cb 0.59 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.57 2c42 n ARG 1216CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c42 n ALA 1217N 1.43 1.93 0.00 7.54 0.00 -1.26 -5.13 120.51 125.01 2c42 n ALA 1217Ca 0.17 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2c42 n ALA 1217Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2c42 n ALA 1217CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c42 n GLY 1218N -0.57 -0.13 3.56 0.00 0.00 -1.26 -4.48 105.19 102.31 2c42 n GLY 1218Ca 0.02 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 2c42 n GLY 1218CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c42 s THR 1219N -1.57 1.93 0.10 2.61 -4.23 -1.26 -4.69 115.64 108.52 2c42 s THR 1219Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.25 2c42 s THR 1219Cb 0.00 -2.28 -0.11 0.00 1.34 0.00 0.00 72.50 71.45 2c42 s THR 1219CO 0.00 0.00 1.68 0.28 -0.54 0.00 0.00 174.62 176.04 2c42 h SER 1220N -2.41 -0.42 -0.84 3.99 0.02 -1.99 -0.25 113.55 111.65 2c42 h SER 1220Ca -0.57 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.43 2c42 h SER 1220Cb 1.33 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.98 2c42 h SER 1220CO 0.51 -0.23 0.55 1.05 -1.14 0.00 0.00 176.83 177.57 2c42 h GLU 1221N -0.33 1.11 -0.77 3.45 9.09 -1.98 0.15 114.58 125.31 2c42 h GLU 1221Ca 0.01 -0.07 -0.03 0.00 0.05 0.00 0.00 59.36 59.31 2c42 h GLU 1221Cb 0.32 -0.25 -0.03 0.00 -1.65 0.00 0.00 28.75 27.14 2c42 h GLU 1221CO -0.06 0.75 0.35 1.96 0.05 0.00 0.00 179.01 182.06 2c42 h GLN 1222N 1.14 1.12 -0.44 1.06 4.20 -1.84 0.17 115.11 120.52 2c42 h GLN 1222Ca 0.31 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.70 2c42 h GLN 1222Cb -0.12 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.46 2c42 h GLN 1222CO -0.06 0.89 -0.27 1.96 -0.67 0.00 0.00 178.83 180.67 2c42 h GLN 1223N 1.09 0.95 -0.32 1.46 4.20 -0.49 -1.35 115.11 120.65 2c42 h GLN 1223Ca 0.26 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 2c42 h GLN 1223Cb 0.15 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2c42 h GLN 1223CO -0.03 1.09 0.05 0.78 -0.67 0.00 0.00 178.83 180.05 2c42 h GLY 1224N 0.86 0.57 0.99 3.46 0.00 -0.31 -1.60 103.07 107.04 2c42 h GLY 1224Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2c42 h GLY 1224CO 0.07 0.35 0.32 -1.80 0.00 0.00 0.00 176.54 175.49 2c42 h ASP 1225N 0.35 0.69 -0.98 0.19 3.58 -0.61 -1.11 116.42 118.52 2c42 h ASP 1225Ca 0.10 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.51 2c42 h ASP 1225Cb 0.35 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.17 2c42 h ASP 1225CO 0.01 0.57 0.64 0.25 -2.88 0.00 0.00 179.24 177.82 2c42 h LEU 1226N 0.76 1.05 -0.05 2.28 5.85 -1.10 0.24 115.31 124.34 2c42 h LEU 1226Ca 0.20 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.92 2c42 h LEU 1226Cb 0.02 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2c42 h LEU 1226CO -0.03 0.71 0.00 -1.28 -0.34 0.00 0.00 178.44 177.50 2c42 h SER 1227N 1.22 -0.01 -0.51 1.25 0.87 -0.50 0.04 113.55 115.89 2c42 h SER 1227Ca 0.40 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.99 2c42 h SER 1227Cb 0.05 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 2c42 h SER 1227CO -0.14 0.00 0.32 0.50 -0.53 0.00 0.00 176.83 176.98 2c42 h LYS 1228N 0.02 0.62 0.00 2.24 3.64 -0.31 0.29 116.57 123.08 2c42 h LYS 1228Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2c42 h LYS 1228Cb 0.02 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2c42 h LYS 1228CO -0.04 0.41 0.00 0.54 -2.27 0.00 0.00 179.45 178.09 2c42 n ARG 1229N -4.78 0.08 -0.06 1.90 1.74 0.74 -3.33 116.66 112.95 2c42 n ARG 1229Ca 0.03 0.29 -0.06 0.00 -0.77 0.00 0.00 57.85 57.33 2c42 n ARG 1229Cb 0.06 -1.64 -0.10 0.00 -1.02 0.00 0.00 32.46 29.76 2c42 n ARG 1229CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2c42 n THR 1230N -1.79 0.86 0.00 0.55 -2.24 -0.04 -4.91 114.28 106.72 2c42 n THR 1230Ca 0.03 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2c42 n THR 1230Cb 0.22 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2c42 n THR 1230CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2c42 n LYS 1231N -2.50 0.00 -0.78 -0.78 2.85 0.94 -5.08 118.16 112.82 2c42 n LYS 1231Ca -0.21 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 2c42 n LYS 1231Cb 0.90 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.28 2c42 n LYS 1231CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98