#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vgg h ALA 63 N 0.00 1.96 -0.57 3.55 0.00 -1.85 -3.49 119.26 118.87 2vgg h ALA 63 Ca 0.00 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 2vgg h ALA 63 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2vgg h ALA 63 CO 0.00 -0.11 2.08 0.00 0.00 0.00 0.00 179.25 181.22 2vgg n ALA 64 N -2.50 3.42 -0.20 0.00 0.00 -1.26 -4.51 120.51 115.46 2vgg n ALA 64 Ca 0.11 -3.61 -0.00 0.00 0.00 0.00 0.00 53.44 49.94 2vgg n ALA 64 Cb 0.38 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.26 2vgg n ALA 64 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2vgg n THR 68 N 6.51 0.00 0.05 0.00 -2.24 -1.26 -4.83 114.28 112.51 2vgg n THR 68 Ca 0.49 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 62.06 2vgg n THR 68 Cb 0.45 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.53 2vgg n THR 68 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2vgg h PHE 69 N -0.53 0.59 0.20 4.78 -0.00 -1.99 -0.76 116.94 119.23 2vgg h PHE 69 Ca -0.00 -0.42 -0.00 0.00 -0.00 0.00 0.00 57.97 57.55 2vgg h PHE 69 Cb 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 35.95 35.91 2vgg h PHE 69 CO -0.79 1.31 -0.28 1.25 -0.00 0.00 0.00 178.31 179.80 2vgg h LEU 70 N -0.31 -0.81 -0.97 0.59 5.85 -2.02 0.18 115.31 117.83 2vgg h LEU 70 Ca -0.14 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.78 2vgg h LEU 70 Cb 1.65 0.28 -0.15 0.00 0.37 0.00 0.00 40.66 42.81 2vgg h LEU 70 CO 0.16 -0.35 -0.44 -0.08 -0.34 0.00 0.00 178.44 177.39 2vgg h GLU 71 N -0.50 -0.01 -0.23 1.25 4.81 -1.99 0.20 114.58 118.09 2vgg h GLU 71 Ca -0.02 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2vgg h GLU 71 Cb 0.46 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 2vgg h GLU 71 CO -0.08 -0.01 -0.21 1.25 -0.73 0.00 0.00 179.01 179.23 2vgg h HIS 72 N -0.01 -0.66 -0.95 0.92 2.76 -0.52 -1.84 115.15 114.85 2vgg h HIS 72 Ca 0.29 0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.61 2vgg h HIS 72 Cb 0.55 0.32 -0.13 0.00 1.55 0.00 0.00 27.41 29.70 2vgg h HIS 72 CO -0.90 -0.17 -0.52 -0.07 -1.30 0.00 0.00 177.93 174.97 2vgg h LEU 73 N -0.09 -1.90 -0.28 0.26 3.38 0.12 0.76 115.31 117.56 2vgg h LEU 73 Ca 0.04 0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2vgg h LEU 73 Cb 0.20 0.88 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2vgg h LEU 73 CO -0.27 -0.26 0.27 0.00 0.09 0.00 0.00 178.44 178.28 2vgg n LEU 75 N -1.54 2.28 -4.45 0.00 4.77 0.26 -5.09 117.00 113.23 2vgg n LEU 75 Ca -0.00 -1.92 -0.29 0.00 -0.03 0.00 0.00 56.01 53.77 2vgg n LEU 75 Cb 0.28 -0.08 0.26 0.00 -2.33 0.00 0.00 43.42 41.55 2vgg n LEU 75 CO 0.02 0.57 0.50 -0.76 -1.33 0.00 0.00 177.39 176.38 2vgg s LEU 76 N -0.95 0.23 0.00 2.23 1.43 -0.50 -3.85 118.68 117.27 2vgg s LEU 76 Ca 0.09 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 2vgg s LEU 76 Cb 0.05 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.31 2vgg s LEU 76 CO 0.06 -4.50 0.00 2.30 0.23 0.00 0.00 176.35 174.44 2vgg n ILE 78 N -5.08 0.00 0.23 -0.59 -5.35 -1.26 -5.09 119.36 102.22 2vgg n ILE 78 Ca 0.06 -0.13 0.09 0.00 -0.27 0.00 0.00 62.75 62.50 2vgg n ILE 78 Cb 0.57 0.91 0.15 0.00 -1.74 0.00 0.00 39.64 39.53 2vgg n ILE 78 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2vgg n ASP 79 N -0.31 2.92 -4.57 7.28 8.00 -1.26 -4.80 116.55 123.81 2vgg n ASP 79 Ca 0.00 -1.85 -0.39 0.00 0.71 0.00 0.00 54.79 53.26 2vgg n ASP 79 Cb 0.00 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 40.90 2vgg n ASP 79 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2vgg s SER 80 N -1.22 6.32 0.07 -2.24 0.15 -1.26 -4.95 113.70 110.57 2vgg s SER 80 Ca 0.28 -1.77 -0.35 0.00 0.70 0.00 0.00 55.95 54.81 2vgg s SER 80 Cb 0.16 -2.57 -0.15 0.00 -1.71 0.00 0.00 66.02 61.75 2vgg s SER 80 CO 0.23 -1.69 1.55 -0.62 1.20 0.00 0.00 173.24 173.91 2vgg n GLU 81 N 8.64 1.74 -1.57 5.44 -0.58 -1.26 -4.91 120.64 128.14 2vgg n GLU 81 Ca 0.41 0.63 -0.36 0.00 -0.42 0.00 0.00 57.16 57.43 2vgg n GLU 81 Cb 0.48 -2.36 0.08 0.00 -0.57 0.00 0.00 31.44 29.07 2vgg n GLU 81 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2vgg s PRO 82 N 1.38 2.31 -0.27 3.49 0.02 -1.26 -5.00 135.00 135.67 2vgg s PRO 82 Ca 0.84 1.93 -0.00 0.00 0.02 0.00 0.00 61.00 63.79 2vgg s PRO 82 Cb -0.80 -1.83 0.14 0.00 0.02 0.00 0.00 34.50 32.03 2vgg s PRO 82 CO 0.45 -1.75 0.37 0.54 -0.33 0.00 0.00 177.00 176.28 2vgg s VAL 83 N -1.67 -0.58 0.00 3.83 0.11 -1.26 -5.11 120.40 115.72 2vgg s VAL 83 Ca 0.79 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 2vgg s VAL 83 Cb -0.34 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 2vgg s VAL 83 CO 0.42 -0.25 0.00 0.00 -3.33 0.00 0.00 175.10 171.95 2vgg n ALA 84 N 5.35 0.00 -1.61 1.54 0.00 -1.26 -5.08 120.51 119.46 2vgg n ALA 84 Ca -0.02 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.89 2vgg n ALA 84 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 2vgg n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vgg n ALA 85 N -1.33 -0.96 -1.61 0.00 0.00 -1.26 -4.90 120.51 110.45 2vgg n ALA 85 Ca 0.00 0.50 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 2vgg n ALA 85 Cb 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 19.45 17.40 2vgg n ALA 85 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2vgg s ARG 86 N 1.03 2.86 -0.02 0.00 1.70 -1.26 -4.95 118.95 118.31 2vgg s ARG 86 Ca 0.87 1.63 0.05 0.00 -0.47 0.00 0.00 55.73 57.81 2vgg s ARG 86 Cb -0.99 -1.94 -0.07 0.00 -0.57 0.00 0.00 34.95 31.38 2vgg s ARG 86 CO 0.51 -1.24 0.08 -1.13 -1.08 0.00 0.00 175.30 172.43 2vgg n SER 87 N -1.97 3.86 -4.63 -2.89 3.41 -1.26 -4.86 113.62 105.27 2vgg n SER 87 Ca 0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.30 2vgg n SER 87 Cb 0.51 1.01 -0.02 0.00 -0.26 0.00 0.00 64.21 65.44 2vgg n SER 87 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2vgg s THR 88 N -2.26 3.71 0.69 6.66 2.01 -1.26 -1.95 115.64 123.24 2vgg s THR 88 Ca -0.02 0.80 -0.11 0.00 0.31 0.00 0.00 61.69 62.67 2vgg s THR 88 Cb 0.03 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.79 2vgg s THR 88 CO 0.20 -0.33 1.06 -0.44 -0.69 0.00 0.00 174.62 174.42 2vgg s SER 89 N 4.27 5.48 -0.09 3.53 0.01 -1.00 -4.82 113.70 121.07 2vgg s SER 89 Ca 0.71 1.55 0.04 0.00 1.31 0.00 0.00 55.95 59.55 2vgg s SER 89 Cb -0.24 -2.45 -0.00 0.00 0.21 0.00 0.00 66.02 63.54 2vgg s SER 89 CO 0.29 -1.37 -0.22 -0.63 0.41 0.00 0.00 173.24 171.72 2vgg s ILE 90 N -3.09 2.22 -0.20 1.44 1.01 -1.26 -1.88 121.20 119.45 2vgg s ILE 90 Ca 0.58 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 2vgg s ILE 90 Cb -0.13 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 2vgg s ILE 90 CO 0.55 0.56 0.01 -0.63 0.00 0.00 0.00 174.94 175.42 2vgg s ILE 91 N 0.22 4.07 -0.09 2.92 1.01 0.16 -1.35 121.20 128.15 2vgg s ILE 91 Ca -0.14 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.28 2vgg s ILE 91 Cb -0.17 -2.84 -0.00 0.00 0.01 0.00 0.00 42.46 39.46 2vgg s ILE 91 CO 0.07 0.43 -0.23 0.00 0.00 0.00 0.00 174.94 175.21 2vgg s ALA 92 N 0.90 2.21 0.04 9.38 0.00 -0.68 0.07 121.76 133.68 2vgg s ALA 92 Ca 0.01 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 50.71 2vgg s ALA 92 Cb -0.14 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 2vgg s ALA 92 CO 0.02 0.33 0.85 0.99 0.00 0.00 0.00 175.76 177.95 2vgg s THR 93 N 0.17 4.74 0.05 0.00 2.01 -0.66 -1.12 115.64 120.83 2vgg s THR 93 Ca -0.13 1.81 -0.28 0.00 0.31 0.00 0.00 61.69 63.40 2vgg s THR 93 Cb -0.16 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 2vgg s THR 93 CO 0.07 0.29 0.89 -0.63 -0.69 0.00 0.00 174.62 174.56 2vgg s ILE 94 N 0.30 4.71 0.26 1.82 -1.09 -0.31 -3.17 121.20 123.73 2vgg s ILE 94 Ca 0.43 1.90 -0.14 0.00 -2.23 0.00 0.00 60.65 60.61 2vgg s ILE 94 Cb -0.21 -4.24 0.05 0.00 -1.58 0.00 0.00 42.46 36.48 2vgg s ILE 94 CO 0.25 0.28 0.71 0.61 -1.23 0.00 0.00 174.94 175.56 2vgg n GLY 95 N 2.54 1.02 0.51 6.18 0.00 -1.26 -4.62 105.19 109.57 2vgg n GLY 95 Ca 0.02 -1.17 0.33 0.00 0.00 0.00 0.00 46.02 45.19 2vgg n GLY 95 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vgg h PRO 96 N 0.00 0.08 -0.00 1.61 0.11 -1.56 0.91 132.00 133.15 2vgg h PRO 96 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2vgg h PRO 96 Cb 0.99 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2vgg h PRO 96 CO 0.33 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 2vgg n ALA 97 N -2.71 2.68 -2.65 -0.75 0.00 0.15 -4.13 120.51 113.11 2vgg n ALA 97 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 2vgg n ALA 97 Cb 1.19 -1.50 0.11 0.00 0.00 0.00 0.00 19.45 19.26 2vgg n ALA 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2vgg n SER 98 N -0.94 -1.35 -0.00 0.00 3.41 0.31 -4.86 113.62 110.19 2vgg n SER 98 Ca 0.23 -2.10 0.08 0.00 -0.26 0.00 0.00 58.87 56.82 2vgg n SER 98 Cb 0.12 0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 64.62 2vgg n SER 98 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2vgg n ARG 99 N -1.25 1.08 -2.53 4.33 0.63 -1.01 -4.38 116.66 113.53 2vgg n ARG 99 Ca -0.14 -0.06 -0.42 0.00 -0.92 0.00 0.00 57.85 56.30 2vgg n ARG 99 Cb 0.83 -1.34 -0.03 0.00 0.45 0.00 0.00 32.46 32.37 2vgg n ARG 99 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2vgg s SER 100 N -3.14 7.15 0.28 6.15 1.04 -1.26 -4.82 113.70 119.09 2vgg s SER 100 Ca 0.01 1.78 0.06 0.00 0.48 0.00 0.00 55.95 58.28 2vgg s SER 100 Cb 0.12 -2.56 0.78 0.00 0.10 0.00 0.00 66.02 64.46 2vgg s SER 100 CO 0.70 -0.48 1.34 0.52 0.98 0.00 0.00 173.24 176.31 2vgg n VAL 101 N 4.33 -0.36 -0.10 5.02 0.31 -1.26 -0.42 118.33 125.85 2vgg n VAL 101 Ca 0.09 1.85 -0.12 0.00 -0.01 0.00 0.00 64.34 66.15 2vgg n VAL 101 Cb 0.47 -2.77 -0.04 0.00 -0.91 0.00 0.00 33.84 30.59 2vgg n VAL 101 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2vgg h GLU 102 N 0.00 0.58 -0.49 5.55 4.39 -1.97 -0.64 114.58 121.99 2vgg h GLU 102 Ca 0.57 -0.24 0.02 0.00 0.34 0.00 0.00 59.36 60.05 2vgg h GLU 102 Cb 1.28 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 2vgg h GLU 102 CO -0.77 0.80 0.30 -0.09 -1.16 0.00 0.00 179.01 178.09 2vgg h ARG 103 N 0.33 0.59 0.01 2.33 9.65 -1.12 -1.30 114.38 124.88 2vgg h ARG 103 Ca 0.07 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2vgg h ARG 103 Cb 0.60 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 2vgg h ARG 103 CO 0.04 0.39 -0.09 -0.07 2.80 0.00 0.00 179.97 183.04 2vgg h LEU 104 N 0.61 -0.25 -0.62 3.80 -0.00 -0.57 0.40 115.31 118.68 2vgg h LEU 104 Ca 0.19 0.04 0.13 0.00 -0.00 0.00 0.00 57.88 58.24 2vgg h LEU 104 Cb -0.01 0.11 -0.10 0.00 -0.00 0.00 0.00 40.66 40.65 2vgg h LEU 104 CO -0.07 -0.13 0.06 0.11 -0.00 0.00 0.00 178.44 178.40 2vgg h LYS 105 N -0.16 0.17 -0.51 1.13 1.57 -0.86 0.11 116.57 118.02 2vgg h LYS 105 Ca 0.03 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 2vgg h LYS 105 Cb 0.19 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 2vgg h LYS 105 CO -0.08 0.11 0.18 0.93 -0.57 0.00 0.00 179.45 180.02 2vgg h GLU 106 N 0.17 0.35 -0.16 3.15 5.08 0.07 -1.62 114.58 121.61 2vgg h GLU 106 Ca 0.33 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 2vgg h GLU 106 Cb 0.52 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2vgg h GLU 106 CO -0.48 0.23 -0.17 0.52 -1.00 0.00 0.00 179.01 178.10 2vgg h MET 107 N 0.36 0.27 0.28 2.33 2.86 0.68 -1.48 114.93 120.23 2vgg h MET 107 Ca 0.25 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2vgg h MET 107 Cb 0.27 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2vgg h MET 107 CO -0.26 0.45 -0.13 0.82 1.06 0.00 0.00 176.91 178.85 2vgg h ILE 108 N 0.25 0.76 -0.97 -1.22 2.04 -0.24 -1.56 117.51 116.58 2vgg h ILE 108 Ca 0.05 -0.32 0.16 0.00 1.00 0.00 0.00 64.86 65.75 2vgg h ILE 108 Cb 0.46 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.40 2vgg h ILE 108 CO 0.03 0.07 0.61 0.11 0.00 0.00 0.00 178.15 178.97 2vgg h LYS 109 N -0.54 0.74 0.00 2.37 1.57 -0.85 -0.53 116.57 119.32 2vgg h LYS 109 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2vgg h LYS 109 Cb 0.40 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2vgg h LYS 109 CO 0.06 0.49 0.00 0.00 -0.57 0.00 0.00 179.45 179.43 2vgg h ALA 110 N 1.60 1.00 0.00 3.86 0.00 -1.01 -3.47 119.26 121.25 2vgg h ALA 110 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2vgg h ALA 110 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2vgg h ALA 110 CO -0.28 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.38 2vgg n GLY 111 N 0.63 0.18 3.63 0.00 0.00 -0.21 -4.38 105.19 105.05 2vgg n GLY 111 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 2vgg n GLY 111 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2vgg n MET 112 N 0.00 1.67 -0.02 1.61 0.00 -0.76 -4.53 117.12 115.09 2vgg n MET 112 Ca 0.00 0.59 -0.02 0.00 0.00 0.00 0.00 57.70 58.27 2vgg n MET 112 Cb 0.00 -2.13 -0.02 0.00 0.00 0.00 0.00 33.22 31.07 2vgg n MET 112 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2vgg n ASN 113 N 1.70 4.06 -4.30 6.12 4.13 -0.45 -4.76 115.26 121.75 2vgg n ASN 113 Ca 0.11 -0.01 -0.31 0.00 1.68 0.00 0.00 54.58 56.05 2vgg n ASN 113 Cb 0.31 0.38 -0.16 0.00 -1.54 0.00 0.00 39.78 38.76 2vgg n ASN 113 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2vgg s ILE 114 N -2.08 2.08 -0.23 2.41 1.01 -0.90 -0.28 121.20 123.20 2vgg s ILE 114 Ca -0.03 -1.09 -0.07 0.00 0.00 0.00 0.00 60.65 59.46 2vgg s ILE 114 Cb 0.01 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2vgg s ILE 114 CO 0.12 0.58 0.07 0.00 0.00 0.00 0.00 174.94 175.70 2vgg s ALA 115 N -0.47 3.20 -0.24 9.38 0.00 0.88 -1.68 121.76 132.82 2vgg s ALA 115 Ca 0.06 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 2vgg s ALA 115 Cb -0.11 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 2vgg s ALA 115 CO 0.00 -0.33 0.18 0.50 0.00 0.00 0.00 175.76 176.11 2vgg s ARG 116 N 1.32 4.06 -0.38 0.00 3.52 -0.27 0.43 118.95 127.63 2vgg s ARG 116 Ca 0.05 -0.25 -0.16 0.00 -0.13 0.00 0.00 55.73 55.23 2vgg s ARG 116 Cb -0.15 -3.56 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 2vgg s ARG 116 CO 0.03 0.02 0.41 -0.51 -0.81 0.00 0.00 175.30 174.44 2vgg s LEU 117 N 1.17 4.64 -0.80 -0.88 1.43 0.06 -1.16 118.68 123.15 2vgg s LEU 117 Ca 0.08 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 2vgg s LEU 117 Cb -0.14 -2.37 0.10 0.00 0.03 0.00 0.00 46.19 43.81 2vgg s LEU 117 CO 0.06 -0.46 1.04 0.21 0.23 0.00 0.00 176.35 177.42 2vgg s ASN 118 N 1.77 6.42 0.00 2.29 2.47 -1.26 -1.07 114.94 125.56 2vgg s ASN 118 Ca 0.12 -1.58 0.01 0.00 0.42 0.00 0.00 52.86 51.83 2vgg s ASN 118 Cb -0.17 -2.40 0.08 0.00 -1.45 0.00 0.00 41.25 37.31 2vgg s ASN 118 CO 0.13 -1.22 0.35 0.49 -3.72 0.00 0.00 177.10 173.12 2vgg n PHE 119 N 7.01 0.00 0.58 0.43 3.01 -0.32 -1.92 117.46 126.25 2vgg n PHE 119 Ca 0.11 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.66 2vgg n PHE 119 Cb 0.47 0.00 0.40 0.00 -0.01 0.00 0.00 39.48 40.34 2vgg n PHE 119 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2vgg n SER 120 N -0.59 0.15 -3.99 4.37 7.64 -1.26 -4.42 113.62 115.52 2vgg n SER 120 Ca 0.01 0.53 -0.10 0.00 1.01 0.00 0.00 58.87 60.32 2vgg n SER 120 Cb 0.00 -0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 62.52 2vgg n SER 120 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2vgg s HIS 121 N -3.06 0.34 0.22 1.43 3.76 -0.81 -5.08 115.29 112.10 2vgg s HIS 121 Ca 0.08 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2vgg s HIS 121 Cb 0.11 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.58 2vgg s HIS 121 CO 0.35 -0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.51 2vgg n GLY 122 N 1.75 -3.08 3.94 -2.22 0.00 -1.26 -4.89 105.19 99.45 2vgg n GLY 122 Ca -0.22 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.31 2vgg n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vgg s SER 123 N -4.51 4.10 0.17 1.61 1.04 -1.26 -4.92 113.70 109.93 2vgg s SER 123 Ca 0.00 0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.50 2vgg s SER 123 Cb 0.00 -0.58 0.09 0.00 0.10 0.00 0.00 66.02 65.63 2vgg s SER 123 CO 0.00 -2.07 1.79 0.45 0.98 0.00 0.00 173.24 174.39 2vgg h HIS 124 N -0.97 0.46 -0.48 5.02 -0.00 -2.00 -1.71 115.15 115.47 2vgg h HIS 124 Ca -0.43 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 59.96 2vgg h HIS 124 Cb 1.28 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 28.52 2vgg h HIS 124 CO -0.31 0.25 0.28 0.93 -0.00 0.00 0.00 177.93 179.09 2vgg h GLU 125 N 0.50 0.65 -0.28 2.45 3.07 -1.99 -0.97 114.58 118.01 2vgg h GLU 125 Ca 0.19 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.92 2vgg h GLU 125 Cb 0.07 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 2vgg h GLU 125 CO -0.11 0.46 -0.17 -0.92 -1.40 0.00 0.00 179.01 176.87 2vgg h TYR 126 N 0.66 0.53 0.10 4.33 3.20 -1.69 -2.28 116.97 121.83 2vgg h TYR 126 Ca 0.17 -0.09 -0.28 0.00 3.14 0.00 0.00 58.73 61.67 2vgg h TYR 126 Cb -0.01 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2vgg h TYR 126 CO 0.00 0.64 -1.35 0.45 -1.64 0.00 0.00 178.16 176.26 2vgg h HIS 127 N 0.44 0.37 -0.39 -3.82 3.86 -1.01 -2.99 115.15 111.62 2vgg h HIS 127 Ca 0.08 -0.27 0.03 0.00 -1.16 0.00 0.00 60.37 59.04 2vgg h HIS 127 Cb 0.56 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 2vgg h HIS 127 CO 0.02 1.26 0.26 0.00 0.86 0.00 0.00 177.93 180.33 2vgg h ALA 128 N 0.63 1.86 -0.59 2.45 0.00 -0.99 0.48 119.26 123.10 2vgg h ALA 128 Ca -0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2vgg h ALA 128 Cb 1.96 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 2vgg h ALA 128 CO 0.17 0.10 0.27 0.93 0.00 0.00 0.00 179.25 180.71 2vgg h GLU 129 N 0.41 0.86 -0.43 0.00 5.08 -1.38 -0.18 114.58 118.93 2vgg h GLU 129 Ca 0.16 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2vgg h GLU 129 Cb 0.12 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2vgg h GLU 129 CO -0.04 0.71 0.07 0.77 -1.00 0.00 0.00 179.01 179.52 2vgg h SER 130 N 0.80 0.69 0.31 1.42 0.02 -0.82 -0.62 113.55 115.35 2vgg h SER 130 Ca 0.20 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2vgg h SER 130 Cb 0.14 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2vgg h SER 130 CO -0.02 0.78 -0.15 0.40 -1.14 0.00 0.00 176.83 176.69 2vgg h ILE 131 N 0.57 0.71 -0.96 3.27 2.04 -1.18 0.22 117.51 122.19 2vgg h ILE 131 Ca 0.13 -0.36 0.29 0.00 1.00 0.00 0.00 64.86 65.92 2vgg h ILE 131 Cb 0.38 0.91 -0.15 0.00 -0.74 0.00 0.00 36.82 37.22 2vgg h ILE 131 CO 0.01 0.07 0.44 0.00 0.00 0.00 0.00 178.15 178.67 2vgg h ALA 132 N 0.00 1.70 0.01 1.87 0.00 -0.75 0.29 119.26 122.38 2vgg h ALA 132 Ca -0.04 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2vgg h ALA 132 Cb 0.44 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2vgg h ALA 132 CO 0.07 -0.53 -0.01 -0.91 0.00 0.00 0.00 179.25 177.87 2vgg h ASN 133 N 0.28 -0.02 -0.29 0.00 -0.26 -0.51 -0.94 115.58 113.84 2vgg h ASN 133 Ca 0.67 -0.77 0.04 0.00 -0.56 0.00 0.00 56.30 55.67 2vgg h ASN 133 Cb 1.47 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.67 2vgg h ASN 133 CO -0.63 0.80 -0.44 0.58 -1.06 0.00 0.00 177.43 176.67 2vgg h VAL 134 N -0.87 0.00 -1.16 2.81 2.07 0.19 0.55 116.25 119.84 2vgg h VAL 134 Ca -0.00 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.86 2vgg h VAL 134 Cb 0.78 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.44 2vgg h VAL 134 CO 0.00 0.00 0.74 0.03 0.02 0.00 0.00 177.57 178.36 2vgg h ARG 135 N -0.34 0.24 0.03 1.57 3.08 -1.01 0.35 114.38 118.31 2vgg h ARG 135 Ca 0.05 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2vgg h ARG 135 Cb 0.48 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2vgg h ARG 135 CO -0.45 0.16 -0.02 1.49 -1.07 0.00 0.00 179.97 180.08 2vgg h GLU 136 N 0.25 -0.04 -0.77 0.04 4.81 0.13 -1.74 114.58 117.25 2vgg h GLU 136 Ca 0.70 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 60.03 2vgg h GLU 136 Cb 1.98 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 31.30 2vgg h GLU 136 CO -0.37 0.53 0.41 0.00 -0.73 0.00 0.00 179.01 178.85 2vgg h ALA 137 N 0.26 1.10 0.36 2.92 0.00 0.22 -2.66 119.26 121.46 2vgg h ALA 137 Ca -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2vgg h ALA 137 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2vgg h ALA 137 CO 0.01 0.01 -0.17 0.28 0.00 0.00 0.00 179.25 179.38 2vgg h VAL 138 N 0.69 0.64 0.00 0.00 2.07 -0.37 -2.76 116.25 116.52 2vgg h VAL 138 Ca 0.38 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2vgg h VAL 138 Cb 0.39 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2vgg h VAL 138 CO -0.27 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 176.77 2vgg n GLU 139 N -5.21 0.02 0.06 1.57 -0.58 -0.66 -1.64 120.64 114.20 2vgg n GLU 139 Ca -0.10 0.28 0.07 0.00 -0.42 0.00 0.00 57.16 56.99 2vgg n GLU 139 Cb 0.26 -1.50 0.34 0.00 -0.57 0.00 0.00 31.44 29.97 2vgg n GLU 139 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2vgg n SER 140 N -1.47 0.26 -0.72 1.62 3.41 -1.02 -0.91 113.62 114.79 2vgg n SER 140 Ca 0.03 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 2vgg n SER 140 Cb 0.13 -0.63 0.10 0.00 -0.26 0.00 0.00 64.21 63.55 2vgg n SER 140 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2vgg n PHE 141 N -1.81 0.16 0.55 7.33 3.01 -0.65 -4.50 117.46 121.55 2vgg n PHE 141 Ca 0.02 -0.12 0.04 0.00 1.01 0.00 0.00 57.45 58.40 2vgg n PHE 141 Cb 0.13 -0.00 0.25 0.00 -0.01 0.00 0.00 39.48 39.85 2vgg n PHE 141 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2vgg n ALA 142 N 0.93 1.83 0.32 4.37 0.00 -0.08 -2.94 120.51 124.94 2vgg n ALA 142 Ca 0.11 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.57 2vgg n ALA 142 Cb 0.43 -1.14 0.31 0.00 0.00 0.00 0.00 19.45 19.06 2vgg n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vgg n GLY 143 N -0.44 -0.93 2.84 0.00 0.00 -1.26 -4.21 105.19 101.19 2vgg n GLY 143 Ca 0.06 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2vgg n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vgg s SER 144 N -3.42 0.79 0.50 1.61 0.01 -1.15 -5.03 113.70 107.01 2vgg s SER 144 Ca 0.04 -1.03 0.24 0.00 1.31 0.00 0.00 55.95 56.50 2vgg s SER 144 Cb 0.07 0.83 1.32 0.00 0.21 0.00 0.00 66.02 68.45 2vgg s SER 144 CO 0.22 -0.30 1.94 -0.65 0.41 0.00 0.00 173.24 174.87 2vgg h PRO 145 N 7.57 0.12 0.00 12.44 0.11 -1.85 0.93 132.00 151.32 2vgg h PRO 145 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2vgg h PRO 145 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2vgg h PRO 145 CO 0.23 0.08 0.00 -0.07 -0.21 0.00 0.00 178.00 178.03 2vgg h LEU 146 N 0.13 0.00 -0.16 2.35 3.38 -1.95 -3.25 115.31 115.80 2vgg h LEU 146 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2vgg h LEU 146 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2vgg h LEU 146 CO -0.04 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.25 2vgg n SER 147 N -2.56 0.16 -4.65 -0.43 2.88 0.28 -4.78 113.62 104.52 2vgg n SER 147 Ca 0.01 -0.53 -0.42 0.00 -1.33 0.00 0.00 58.87 56.59 2vgg n SER 147 Cb 0.20 0.68 -0.03 0.00 -0.75 0.00 0.00 64.21 64.31 2vgg n SER 147 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2vgg s TYR 148 N -0.68 1.74 -0.36 0.66 5.04 -0.96 -4.98 117.35 117.81 2vgg s TYR 148 Ca 0.00 0.12 -0.15 0.00 -2.44 0.00 0.00 57.07 54.61 2vgg s TYR 148 Cb 0.00 -4.02 -0.01 0.00 0.35 0.00 0.00 41.96 38.28 2vgg s TYR 148 CO 0.00 -4.15 0.33 1.03 -1.34 0.00 0.00 175.55 171.42 2vgg s ARG 149 N 4.51 3.45 1.10 4.97 0.52 -1.26 -4.86 118.95 127.37 2vgg s ARG 149 Ca 0.80 -0.56 -0.12 0.00 -0.52 0.00 0.00 55.73 55.32 2vgg s ARG 149 Cb -0.34 -3.84 0.25 0.00 0.52 0.00 0.00 34.95 31.54 2vgg s ARG 149 CO 0.33 -0.56 1.05 -2.14 0.02 0.00 0.00 175.30 174.01 2vgg s PRO 150 N 1.93 -0.38 -0.09 3.54 0.02 -1.26 -5.02 135.00 133.75 2vgg s PRO 150 Ca 0.10 0.86 -0.04 0.00 0.02 0.00 0.00 61.00 61.94 2vgg s PRO 150 Cb -0.17 -1.62 0.05 0.00 0.02 0.00 0.00 34.50 32.78 2vgg s PRO 150 CO 0.11 -3.37 0.19 0.08 -0.33 0.00 0.00 177.00 173.69 2vgg s VAL 151 N -2.59 -0.14 0.62 3.83 1.01 -1.26 -4.93 120.40 116.94 2vgg s VAL 151 Ca 0.67 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.78 2vgg s VAL 151 Cb -0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 2vgg s VAL 151 CO 0.62 0.09 1.01 0.00 0.00 0.00 0.00 175.10 176.82 2vgg s ALA 152 N 1.59 3.10 -0.13 5.51 0.00 0.61 -4.87 121.76 127.57 2vgg s ALA 152 Ca -0.05 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.65 2vgg s ALA 152 Cb -0.11 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.06 2vgg s ALA 152 CO -0.07 -0.79 -0.22 0.42 0.00 0.00 0.00 175.76 175.10 2vgg s ILE 153 N -3.16 2.04 -0.17 0.00 1.01 -1.26 -0.09 121.20 119.57 2vgg s ILE 153 Ca 0.55 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2vgg s ILE 153 Cb -0.11 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.59 2vgg s ILE 153 CO 0.51 0.55 -0.19 0.00 0.00 0.00 0.00 174.94 175.81 2vgg s ALA 154 N 0.75 2.22 -0.28 9.38 0.00 0.17 -1.17 121.76 132.84 2vgg s ALA 154 Ca -0.09 -1.14 -0.26 0.00 0.00 0.00 0.00 51.96 50.47 2vgg s ALA 154 Cb -0.16 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2vgg s ALA 154 CO -0.00 -0.33 0.91 -1.17 0.00 0.00 0.00 175.76 175.17 2vgg s LEU 155 N 1.28 4.05 -0.27 0.00 0.20 0.26 -0.76 118.68 123.45 2vgg s LEU 155 Ca 0.04 0.98 -0.11 0.00 0.69 0.00 0.00 54.13 55.73 2vgg s LEU 155 Cb -0.13 -3.29 -0.05 0.00 -0.43 0.00 0.00 46.19 42.28 2vgg s LEU 155 CO -0.11 -0.66 0.18 -0.62 -0.29 0.00 0.00 176.35 174.85 2vgg s ASP 156 N 1.48 6.06 0.43 3.68 -1.08 -0.23 -0.23 116.67 126.77 2vgg s ASP 156 Ca 0.38 0.03 -0.20 0.00 -0.52 0.00 0.00 52.55 52.25 2vgg s ASP 156 Cb -0.14 -2.12 -0.10 0.00 -1.46 0.00 0.00 42.92 39.10 2vgg s ASP 156 CO 0.11 -0.01 0.93 0.28 0.52 0.00 0.00 175.17 176.99 2vgg s THR 157 N 1.54 4.43 -0.03 1.71 -1.32 -0.98 -1.18 115.64 119.82 2vgg s THR 157 Ca 0.07 1.41 -0.24 0.00 -1.21 0.00 0.00 61.69 61.72 2vgg s THR 157 Cb -0.15 -3.61 -0.21 0.00 -1.51 0.00 0.00 72.50 67.01 2vgg s THR 157 CO 0.09 -0.35 1.13 0.50 -2.21 0.00 0.00 174.62 173.78 2vgg h LYS 158 N 1.83 0.19 0.00 7.08 3.64 -1.93 -3.39 116.57 124.00 2vgg h LYS 158 Ca -0.49 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 58.75 2vgg h LYS 158 Cb 1.18 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2vgg h LYS 158 CO 0.61 0.83 -0.03 0.41 -2.27 0.00 0.00 179.45 179.00 2vgg n GLY 159 N 0.76 -0.97 2.20 5.01 0.00 -1.26 -3.88 105.19 107.05 2vgg n GLY 159 Ca -0.09 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2vgg n GLY 159 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vgg n PRO 160 N -2.12 1.58 -1.00 1.61 -0.04 -1.26 -4.90 135.00 128.87 2vgg n PRO 160 Ca 0.00 -0.85 -0.30 0.00 -0.04 0.00 0.00 63.50 62.31 2vgg n PRO 160 Cb 0.04 -1.96 0.16 0.00 -0.04 0.00 0.00 33.50 31.71 2vgg n PRO 160 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2vgg s GLU 161 N 1.81 0.93 0.04 0.54 2.02 -1.25 -5.03 118.70 117.76 2vgg s GLU 161 Ca 0.47 0.99 0.05 0.00 0.02 0.00 0.00 54.97 56.51 2vgg s GLU 161 Cb 0.21 -1.76 -0.02 0.00 0.10 0.00 0.00 34.13 32.66 2vgg s GLU 161 CO -0.01 -2.51 -0.16 0.42 0.02 0.00 0.00 175.26 173.02 2vgg s ILE 162 N -2.80 1.25 0.04 -1.63 1.01 -1.26 -4.97 121.20 112.84 2vgg s ILE 162 Ca 0.65 -1.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 2vgg s ILE 162 Cb -0.20 -1.12 0.03 0.00 0.01 0.00 0.00 42.46 41.18 2vgg s ILE 162 CO 0.58 0.05 0.35 -0.13 0.00 0.00 0.00 174.94 175.79 2vgg s ARG 163 N -1.16 0.84 0.62 2.79 0.52 -1.26 -1.09 118.95 120.21 2vgg s ARG 163 Ca 0.03 -0.42 -0.05 0.00 -0.52 0.00 0.00 55.73 54.78 2vgg s ARG 163 Cb -0.08 0.37 0.03 0.00 0.52 0.00 0.00 34.95 35.79 2vgg s ARG 163 CO 0.01 -0.27 0.91 0.95 0.02 0.00 0.00 175.30 176.92 2vgg s THR 164 N -2.40 2.98 0.13 0.02 -4.23 -0.85 -0.83 115.64 110.46 2vgg s THR 164 Ca -0.06 -0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 60.19 2vgg s THR 164 Cb -0.01 -3.21 0.03 0.00 1.34 0.00 0.00 72.50 70.65 2vgg s THR 164 CO -0.02 -0.20 0.18 0.61 -0.54 0.00 0.00 174.62 174.65 2vgg n GLY 165 N -2.65 -0.90 3.84 3.99 0.00 -0.99 -3.60 105.19 104.88 2vgg n GLY 165 Ca 0.06 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 2vgg n GLY 165 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vgg s ILE 166 N -1.24 4.84 0.00 -0.61 1.09 -1.26 -1.39 121.20 122.63 2vgg s ILE 166 Ca 0.10 0.89 0.00 0.00 -1.10 0.00 0.00 60.65 60.55 2vgg s ILE 166 Cb -0.00 -3.76 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 2vgg s ILE 166 CO 0.07 0.29 0.00 -0.11 -0.10 0.00 0.00 174.94 175.10 2vgg n LEU 167 N 0.95 0.03 -1.19 2.97 7.94 -1.26 -4.56 117.00 121.89 2vgg n LEU 167 Ca -0.06 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 2vgg n LEU 167 Cb 0.52 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 44.05 2vgg n LEU 167 CO 0.42 -0.42 0.00 -0.62 -1.11 0.00 0.00 177.39 175.66 2vgg n GLU 172 N -2.30 0.00 -2.55 1.96 4.71 -1.26 -5.07 120.64 116.13 2vgg n GLU 172 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 2vgg n GLU 172 Cb 0.00 -1.29 -0.01 0.00 -1.01 0.00 0.00 31.44 29.13 2vgg n GLU 172 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2vgg s SER 173 N 0.85 6.38 -0.28 1.62 1.04 -1.26 -5.07 113.70 116.98 2vgg s SER 173 Ca 0.00 1.16 0.01 0.00 0.48 0.00 0.00 55.95 57.60 2vgg s SER 173 Cb 0.00 -2.34 0.08 0.00 0.10 0.00 0.00 66.02 63.86 2vgg s SER 173 CO 0.00 -0.57 0.01 -1.61 0.98 0.00 0.00 173.24 172.05 2vgg s GLU 174 N -4.44 1.35 0.06 4.02 2.02 -1.26 -4.59 118.70 115.86 2vgg s GLU 174 Ca 0.51 -1.27 -0.30 0.00 0.02 0.00 0.00 54.97 53.93 2vgg s GLU 174 Cb -0.10 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 2vgg s GLU 174 CO 0.40 -0.79 1.08 0.08 0.02 0.00 0.00 175.26 176.05 2vgg s VAL 175 N 1.31 4.35 -0.49 2.63 1.01 -1.12 -4.91 120.40 123.19 2vgg s VAL 175 Ca 0.03 1.76 -0.21 0.00 0.00 0.00 0.00 61.98 63.56 2vgg s VAL 175 Cb -0.18 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.11 2vgg s VAL 175 CO -0.12 0.18 0.72 -0.70 0.00 0.00 0.00 175.10 175.18 2vgg s GLU 176 N 0.69 3.25 -0.13 2.72 2.12 -1.26 -1.59 118.70 124.50 2vgg s GLU 176 Ca 0.54 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 55.08 2vgg s GLU 176 Cb -0.26 -4.02 -0.02 0.00 0.26 0.00 0.00 34.13 30.10 2vgg s GLU 176 CO 0.30 -1.20 1.17 -0.51 -0.54 0.00 0.00 175.26 174.48 2vgg s LEU 177 N 3.06 4.21 -0.13 2.70 1.43 -0.91 -4.83 118.68 124.21 2vgg s LEU 177 Ca 0.23 1.66 -0.05 0.00 -1.03 0.00 0.00 54.13 54.94 2vgg s LEU 177 Cb -0.15 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 2vgg s LEU 177 CO 0.17 -0.65 0.05 -0.69 0.23 0.00 0.00 176.35 175.46 2vgg s VAL 178 N 2.85 4.67 -0.21 -1.59 1.01 -1.26 -1.81 120.40 124.06 2vgg s VAL 178 Ca 0.52 -0.10 -0.39 0.00 0.00 0.00 0.00 61.98 62.02 2vgg s VAL 178 Cb -0.21 -3.03 -0.15 0.00 0.00 0.00 0.00 36.38 32.98 2vgg s VAL 178 CO 0.16 0.55 1.70 1.17 0.00 0.00 0.00 175.10 178.68 2vgg n LYS 179 N 2.65 1.24 0.00 2.72 4.81 -1.26 -2.19 118.16 126.13 2vgg n LYS 179 Ca -0.18 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2vgg n LYS 179 Cb 0.53 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.44 2vgg n LYS 179 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vgg n GLY 180 N 3.97 2.98 3.76 3.14 0.00 0.21 -4.94 105.19 114.31 2vgg n GLY 180 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 2vgg n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vgg s SER 181 N 0.33 6.48 1.13 1.61 1.04 -0.93 -4.52 113.70 118.84 2vgg s SER 181 Ca 0.00 2.88 -0.15 0.00 0.48 0.00 0.00 55.95 59.16 2vgg s SER 181 Cb 0.00 -2.64 0.20 0.00 0.10 0.00 0.00 66.02 63.68 2vgg s SER 181 CO 0.00 -0.81 0.64 0.00 0.98 0.00 0.00 173.24 174.05 2vgg n GLN 182 N 1.67 -1.90 -3.21 4.02 3.00 -1.26 -1.63 117.38 118.06 2vgg n GLN 182 Ca 0.05 -0.53 0.04 0.00 -0.01 0.00 0.00 57.00 56.56 2vgg n GLN 182 Cb 0.39 -2.00 -0.03 0.00 0.00 0.00 0.00 30.24 28.60 2vgg n GLN 182 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2vgg s LEU 184 N -4.75 -0.25 -0.16 1.08 2.96 -1.06 -4.77 118.68 111.73 2vgg s LEU 184 Ca 0.63 0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.71 2vgg s LEU 184 Cb -0.20 1.25 -0.05 0.00 0.50 0.00 0.00 46.19 47.69 2vgg s LEU 184 CO 0.65 -0.05 0.17 -0.69 -1.32 0.00 0.00 176.35 175.11 2vgg s VAL 185 N 2.50 5.41 0.02 1.68 1.01 -0.96 -1.25 120.40 128.81 2vgg s VAL 185 Ca -0.02 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2vgg s VAL 185 Cb -0.05 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2vgg s VAL 185 CO -0.14 0.49 -0.04 0.42 0.00 0.00 0.00 175.10 175.84 2vgg s THR 186 N -0.07 0.21 -0.06 3.92 -4.23 -0.69 -3.06 115.64 111.67 2vgg s THR 186 Ca 0.12 -0.68 0.03 0.00 -1.18 0.00 0.00 61.69 59.97 2vgg s THR 186 Cb -0.12 -0.29 0.05 0.00 1.34 0.00 0.00 72.50 73.48 2vgg s THR 186 CO 0.01 -0.30 1.03 1.33 -0.54 0.00 0.00 174.62 176.15 2vgg n VAL 187 N 2.03 1.10 -1.68 2.29 0.24 -1.26 -2.04 118.33 119.00 2vgg n VAL 187 Ca -0.20 -1.14 -0.42 0.00 -2.04 0.00 0.00 64.34 60.54 2vgg n VAL 187 Cb 0.56 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 2vgg n VAL 187 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2vgg s ASP 188 N -1.20 6.17 0.11 -1.34 -1.08 -1.26 -4.93 116.67 113.13 2vgg s ASP 188 Ca 0.05 2.40 -0.26 0.00 -0.52 0.00 0.00 52.55 54.21 2vgg s ASP 188 Cb 0.04 -2.52 -0.08 0.00 -1.46 0.00 0.00 42.92 38.89 2vgg s ASP 188 CO 0.01 -1.32 1.44 -0.65 0.52 0.00 0.00 175.17 175.17 2vgg h PRO 189 N 11.86 -0.26 -0.95 4.34 0.11 -2.00 -1.15 132.00 143.95 2vgg h PRO 189 Ca -0.46 0.02 0.26 0.00 0.11 0.00 0.00 66.00 65.93 2vgg h PRO 189 Cb 1.23 0.06 -0.17 0.00 0.11 0.00 0.00 31.00 32.23 2vgg h PRO 189 CO 0.95 -0.17 0.07 0.00 -0.21 0.00 0.00 178.00 178.64 2vgg h ALA 190 N -0.22 1.18 0.00 -0.75 0.00 -2.03 0.47 119.26 117.90 2vgg h ALA 190 Ca 0.07 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2vgg h ALA 190 Cb 0.45 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2vgg h ALA 190 CO -0.52 -0.55 0.00 1.19 0.00 0.00 0.00 179.25 179.37 2vgg n PHE 191 N -5.43 0.00 0.62 0.00 3.01 -0.44 -4.43 117.46 110.79 2vgg n PHE 191 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.68 2vgg n PHE 191 Cb 0.74 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 2vgg n PHE 191 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2vgg n ARG 192 N -0.30 0.87 0.00 -1.08 0.63 0.16 -2.36 116.66 114.58 2vgg n ARG 192 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2vgg n ARG 192 Cb 0.05 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 31.89 2vgg n ARG 192 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2vgg n THR 193 N 0.76 0.00 0.53 5.15 5.66 -1.26 -4.53 114.28 120.58 2vgg n THR 193 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2vgg n THR 193 Cb 0.43 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 2vgg n THR 193 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2vgg n ARG 194 N 0.00 0.53 -2.19 1.09 1.74 -1.00 -4.77 116.66 112.08 2vgg n ARG 194 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2vgg n ARG 194 Cb 0.00 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 2vgg n ARG 194 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2vgg s GLY 195 N 0.49 1.98 0.29 -0.13 0.00 -1.26 -4.82 107.32 103.87 2vgg s GLY 195 Ca 0.00 1.09 0.04 0.00 0.00 0.00 0.00 44.72 45.85 2vgg s GLY 195 CO 0.00 2.35 0.23 0.54 0.00 0.00 0.00 173.10 176.22 2vgg s ASN 196 N 1.18 1.17 0.60 1.64 2.20 0.31 -4.89 114.94 117.15 2vgg s ASN 196 Ca 0.64 -1.63 0.25 0.00 -0.94 0.00 0.00 52.86 51.18 2vgg s ASN 196 Cb -0.36 0.50 0.85 0.00 -2.00 0.00 0.00 41.25 40.24 2vgg s ASN 196 CO 0.30 -0.99 1.26 0.00 -2.94 0.00 0.00 177.10 174.72 2vgg n ALA 197 N -0.51 0.94 -0.19 3.54 0.00 -1.26 0.19 120.51 123.21 2vgg n ALA 197 Ca 0.06 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2vgg n ALA 197 Cb 0.63 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2vgg n ALA 197 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2vgg n ASN 198 N -3.17 1.23 -3.93 0.00 3.02 -1.26 -4.66 115.26 106.49 2vgg n ASN 198 Ca 0.22 -1.43 -0.22 0.00 -0.03 0.00 0.00 54.58 53.12 2vgg n ASN 198 Cb 1.49 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 40.49 2vgg n ASN 198 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2vgg s THR 199 N -0.43 0.75 -0.01 3.41 2.01 0.50 -2.57 115.64 119.30 2vgg s THR 199 Ca 0.00 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2vgg s THR 199 Cb 0.00 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.77 2vgg s THR 199 CO 0.00 0.28 -0.03 0.68 -0.69 0.00 0.00 174.62 174.86 2vgg s VAL 200 N 0.98 0.31 0.14 3.82 -7.23 -0.38 0.12 120.40 118.15 2vgg s VAL 200 Ca -0.10 -0.11 0.10 0.00 -1.81 0.00 0.00 61.98 60.05 2vgg s VAL 200 Cb -0.14 -0.30 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 2vgg s VAL 200 CO 0.00 0.11 -0.18 0.86 -0.31 0.00 0.00 175.10 175.58 2vgg s TRP 201 N 0.22 2.50 0.04 2.82 -0.00 -1.26 -1.71 118.94 121.55 2vgg s TRP 201 Ca -0.02 -0.28 -0.00 0.00 -0.00 0.00 0.00 56.10 55.80 2vgg s TRP 201 Cb -0.05 -1.29 -0.03 0.00 -0.00 0.00 0.00 33.47 32.10 2vgg s TRP 201 CO -0.00 0.43 -0.04 0.54 -0.00 0.00 0.00 176.95 177.88 2vgg s VAL 202 N -1.35 0.22 -0.55 5.86 0.11 -0.87 -2.35 120.40 121.48 2vgg s VAL 202 Ca 0.20 -1.39 0.11 0.00 -2.93 0.00 0.00 61.98 57.97 2vgg s VAL 202 Cb -0.10 -0.93 0.59 0.00 -1.53 0.00 0.00 36.38 34.41 2vgg s VAL 202 CO 0.11 -0.74 1.41 -0.90 -3.33 0.00 0.00 175.10 171.65 2vgg n ASP 203 N 0.83 4.35 -3.88 3.54 3.85 -0.01 -4.63 116.55 120.61 2vgg n ASP 203 Ca -0.19 -2.63 -0.30 0.00 -0.71 0.00 0.00 54.79 50.96 2vgg n ASP 203 Cb 0.58 -0.62 -0.14 0.00 -1.35 0.00 0.00 41.12 39.59 2vgg n ASP 203 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 2vgg s TYR 204 N -2.22 2.80 0.25 2.11 5.04 -1.26 -4.93 117.35 119.14 2vgg s TYR 204 Ca 0.39 -2.63 -0.03 0.00 -2.44 0.00 0.00 57.07 52.36 2vgg s TYR 204 Cb 0.30 -2.41 0.50 0.00 0.35 0.00 0.00 41.96 40.70 2vgg s TYR 204 CO 0.12 -0.86 1.70 -1.35 -1.34 0.00 0.00 175.55 173.83 2vgg h PRO 205 N 7.31 0.33 0.00 4.97 0.11 -1.92 -2.45 132.00 140.35 2vgg h PRO 205 Ca -0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2vgg h PRO 205 Cb 0.97 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2vgg h PRO 205 CO 0.54 0.22 0.00 0.09 -0.21 0.00 0.00 178.00 178.64 2vgg n ASN 206 N -5.09 0.28 -0.32 -2.05 3.02 -1.26 -3.29 115.26 106.55 2vgg n ASN 206 Ca 0.15 0.62 0.15 0.00 -0.03 0.00 0.00 54.58 55.48 2vgg n ASN 206 Cb 0.47 -0.66 0.35 0.00 -0.61 0.00 0.00 39.78 39.33 2vgg n ASN 206 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2vgg h ILE 207 N 0.00 0.49 0.00 2.41 2.10 -1.86 0.72 117.51 121.37 2vgg h ILE 207 Ca 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.78 2vgg h ILE 207 Cb 0.04 -0.02 0.00 0.00 -1.09 0.00 0.00 36.82 35.76 2vgg h ILE 207 CO 0.00 0.09 0.00 1.33 -1.08 0.00 0.00 178.15 178.49 2vgg n VAL 208 N -4.98 0.98 -0.05 2.19 0.24 -1.21 -2.13 118.33 113.37 2vgg n VAL 208 Ca 0.24 0.33 -0.03 0.00 -2.04 0.00 0.00 64.34 62.85 2vgg n VAL 208 Cb 0.70 -1.24 -0.12 0.00 -1.47 0.00 0.00 33.84 31.72 2vgg n VAL 208 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2vgg n ARG 209 N -2.02 1.31 0.00 7.34 0.63 0.18 -4.61 116.66 119.49 2vgg n ARG 209 Ca 0.02 -0.04 0.11 0.00 -0.92 0.00 0.00 57.85 57.01 2vgg n ARG 209 Cb 0.17 -1.37 0.09 0.00 0.45 0.00 0.00 32.46 31.79 2vgg n ARG 209 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2vgg n VAL 210 N -2.40 0.00 -3.85 5.15 0.31 -0.78 -4.83 118.33 111.93 2vgg n VAL 210 Ca -0.18 -0.06 -0.36 0.00 -0.01 0.00 0.00 64.34 63.73 2vgg n VAL 210 Cb 0.82 0.71 -0.13 0.00 -0.91 0.00 0.00 33.84 34.33 2vgg n VAL 210 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2vgg s VAL 211 N -2.85 3.19 0.71 2.52 1.01 -0.93 -4.70 120.40 119.35 2vgg s VAL 211 Ca 0.13 -1.49 -0.10 0.00 0.00 0.00 0.00 61.98 60.52 2vgg s VAL 211 Cb 0.17 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.68 2vgg s VAL 211 CO 0.72 -0.25 1.07 -2.16 0.00 0.00 0.00 175.10 174.48 2vgg s PRO 212 N 1.25 2.52 0.08 2.72 0.04 -1.26 -4.86 135.00 135.49 2vgg s PRO 212 Ca -0.02 0.17 -0.34 0.00 0.04 0.00 0.00 61.00 60.85 2vgg s PRO 212 Cb -0.20 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.13 2vgg s PRO 212 CO -0.01 -1.16 1.64 0.28 0.04 0.00 0.00 177.00 177.79 2vgg n VAL 213 N -3.00 0.17 -1.79 -0.36 0.31 -1.26 0.70 118.33 113.09 2vgg n VAL 213 Ca 0.07 -0.03 -0.07 0.00 -0.01 0.00 0.00 64.34 64.30 2vgg n VAL 213 Cb 0.59 -1.56 -0.01 0.00 -0.91 0.00 0.00 33.84 31.95 2vgg n VAL 213 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vgg n GLY 214 N 3.62 0.40 3.78 2.92 0.00 1.08 -4.99 105.19 112.01 2vgg n GLY 214 Ca 0.19 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 2vgg n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vgg s GLY 215 N -2.76 2.47 -0.10 -0.02 0.00 0.22 -4.83 107.32 102.30 2vgg s GLY 215 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 44.72 44.35 2vgg s GLY 215 CO 0.00 0.47 0.57 -1.60 0.00 0.00 0.00 173.10 172.55 2vgg s ARG 216 N -0.32 4.38 -0.08 2.90 3.52 -1.26 0.08 118.95 128.17 2vgg s ARG 216 Ca 0.25 0.63 0.03 0.00 -0.13 0.00 0.00 55.73 56.52 2vgg s ARG 216 Cb -0.16 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 2vgg s ARG 216 CO 0.13 0.12 -0.17 0.42 -0.81 0.00 0.00 175.30 174.98 2vgg s ILE 217 N 0.70 2.74 -0.09 4.11 1.01 0.63 -4.41 121.20 125.90 2vgg s ILE 217 Ca 0.31 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2vgg s ILE 217 Cb -0.16 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 2vgg s ILE 217 CO 0.14 0.56 -0.09 -0.31 0.00 0.00 0.00 174.94 175.24 2vgg s TYR 218 N -0.17 2.89 -0.04 3.97 1.51 -0.57 0.12 117.35 125.05 2vgg s TYR 218 Ca -0.01 -0.16 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 2vgg s TYR 218 Cb -0.14 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.97 2vgg s TYR 218 CO 0.03 0.17 -0.10 0.42 -1.11 0.00 0.00 175.55 174.96 2vgg s ILE 219 N -0.44 0.93 -0.33 2.71 1.01 0.11 -0.67 121.20 124.52 2vgg s ILE 219 Ca 0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 2vgg s ILE 219 Cb -0.12 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.52 2vgg s ILE 219 CO 0.02 0.29 0.39 -0.67 0.00 0.00 0.00 174.94 174.97 2vgg n ASP 220 N 3.48 -6.85 -0.03 3.58 2.03 0.95 -1.20 116.55 118.51 2vgg n ASP 220 Ca -0.20 0.59 -0.00 0.00 0.52 0.00 0.00 54.79 55.69 2vgg n ASP 220 Cb 0.53 -4.57 -0.00 0.00 -0.72 0.00 0.00 41.12 36.36 2vgg n ASP 220 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2vgg n ASP 221 N -0.15 -5.69 0.00 1.67 2.03 -1.26 -0.66 116.55 112.48 2vgg n ASP 221 Ca 0.08 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2vgg n ASP 221 Cb 0.30 -3.23 0.00 0.00 -0.72 0.00 0.00 41.12 37.47 2vgg n ASP 221 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vgg n GLY 222 N 0.57 0.57 0.19 0.27 0.00 -1.23 -4.88 105.19 100.69 2vgg n GLY 222 Ca -0.00 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.73 2vgg n GLY 222 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2vgg h LEU 223 N 0.00 0.00 -8.66 0.99 3.38 -0.91 -3.44 115.31 106.67 2vgg h LEU 223 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2vgg h LEU 223 Cb 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.48 2vgg h LEU 223 CO 0.00 0.00 -0.80 -0.63 0.09 0.00 0.00 178.44 177.10 2vgg s ILE 224 N -3.25 2.80 -0.05 1.22 -1.09 -0.34 -4.63 121.20 115.87 2vgg s ILE 224 Ca 0.07 -0.78 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 2vgg s ILE 224 Cb 0.08 -2.12 0.01 0.00 -1.58 0.00 0.00 42.46 38.84 2vgg s ILE 224 CO 0.62 0.56 -0.12 -0.55 -1.23 0.00 0.00 174.94 174.21 2vgg s SER 225 N -0.07 1.70 -0.01 3.58 0.15 0.24 0.09 113.70 119.38 2vgg s SER 225 Ca -0.04 -0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.36 2vgg s SER 225 Cb -0.14 -0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 63.53 2vgg s SER 225 CO 0.04 0.07 -0.09 -0.76 1.20 0.00 0.00 173.24 173.70 2vgg s LEU 226 N 0.40 1.99 -0.24 3.45 1.43 0.31 -0.65 118.68 125.38 2vgg s LEU 226 Ca -0.09 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2vgg s LEU 226 Cb -0.13 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 2vgg s LEU 226 CO 0.02 0.11 0.11 -0.69 0.23 0.00 0.00 176.35 176.13 2vgg s VAL 227 N -0.18 4.79 -0.02 -1.59 1.01 0.42 0.23 120.40 125.07 2vgg s VAL 227 Ca 0.03 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 2vgg s VAL 227 Cb -0.04 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 2vgg s VAL 227 CO -0.00 0.34 1.59 -0.69 0.00 0.00 0.00 175.10 176.34 2vgg s VAL 228 N 1.32 3.49 -0.05 2.92 1.01 0.11 -1.19 120.40 128.02 2vgg s VAL 228 Ca 0.06 0.75 0.07 0.00 0.00 0.00 0.00 61.98 62.86 2vgg s VAL 228 Cb -0.15 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 2vgg s VAL 228 CO 0.05 -0.04 0.08 0.00 0.00 0.00 0.00 175.10 175.19 2vgg n GLN 229 N 6.38 1.89 -3.61 2.72 10.64 0.20 0.35 117.38 135.94 2vgg n GLN 229 Ca 0.16 -0.03 -0.23 0.00 -1.83 0.00 0.00 57.00 55.07 2vgg n GLN 229 Cb 0.42 -1.18 -0.17 0.00 -0.86 0.00 0.00 30.24 28.46 2vgg n GLN 229 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2vgg s LYS 230 N -2.30 0.04 -0.40 2.61 -0.14 -0.91 -4.84 119.74 113.80 2vgg s LYS 230 Ca -0.03 0.11 -0.13 0.00 -1.36 0.00 0.00 55.97 54.55 2vgg s LYS 230 Cb 0.03 -1.33 0.02 0.00 -1.68 0.00 0.00 37.83 34.87 2vgg s LYS 230 CO 0.29 -0.56 0.26 -1.50 -0.76 0.00 0.00 175.35 173.08 2vgg s ILE 231 N 2.18 4.98 0.26 2.17 -1.16 -1.26 -0.29 121.20 128.08 2vgg s ILE 231 Ca 0.03 -0.75 -0.10 0.00 -0.51 0.00 0.00 60.65 59.33 2vgg s ILE 231 Cb -0.15 -3.78 0.40 0.00 0.61 0.00 0.00 42.46 39.54 2vgg s ILE 231 CO -0.08 -0.29 1.58 1.55 -2.81 0.00 0.00 174.94 174.89 2vgg h PRO 233 N 8.55 -0.00 -1.04 3.50 0.13 -2.04 -3.47 132.00 137.63 2vgg h PRO 233 Ca -0.26 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.42 2vgg h PRO 233 Cb 1.11 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.83 2vgg h PRO 233 CO 0.71 -0.00 -0.97 -0.85 -0.23 0.00 0.00 178.00 176.66 2vgg n GLU 234 N -5.57 2.40 -1.53 0.86 -0.00 -1.26 -5.16 120.64 110.38 2vgg n GLU 234 Ca 0.14 -3.86 -0.31 0.00 -0.00 0.00 0.00 57.16 53.13 2vgg n GLU 234 Cb 0.45 -1.80 -0.12 0.00 -0.00 0.00 0.00 31.44 29.97 2vgg n GLU 234 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2vgg n LEU 236 N -0.39 0.79 -4.58 -1.84 4.77 -1.17 -4.81 117.00 109.77 2vgg n LEU 236 Ca 0.24 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 55.34 2vgg n LEU 236 Cb 0.79 -1.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 2vgg n LEU 236 CO 0.28 -1.46 1.29 -0.69 -1.33 0.00 0.00 177.39 175.48 2vgg s VAL 237 N 9.17 3.76 0.25 4.08 1.01 0.60 -2.26 120.40 137.01 2vgg s VAL 237 Ca 1.17 0.67 0.11 0.00 0.00 0.00 0.00 61.98 63.93 2vgg s VAL 237 Cb -0.66 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.37 2vgg s VAL 237 CO 0.37 -1.02 -0.12 0.42 0.00 0.00 0.00 175.10 174.74 2vgg s THR 238 N 6.21 2.90 -0.08 3.92 -4.23 -1.26 0.60 115.64 123.69 2vgg s THR 238 Ca 0.57 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 2vgg s THR 238 Cb -0.12 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 2vgg s THR 238 CO 0.27 -0.30 -0.16 -1.58 -0.54 0.00 0.00 174.62 172.31 2vgg s GLN 239 N -3.33 2.86 -0.31 3.99 0.74 -0.33 -4.38 119.66 118.90 2vgg s GLN 239 Ca 0.28 -0.73 -0.29 0.00 0.05 0.00 0.00 55.36 54.68 2vgg s GLN 239 Cb -0.06 -2.44 -0.01 0.00 1.10 0.00 0.00 33.01 31.59 2vgg s GLN 239 CO 0.16 0.42 1.64 0.08 -0.55 0.00 0.00 175.29 177.04 2vgg s VAL 240 N -0.21 3.66 -0.14 1.34 1.01 -0.65 -0.44 120.40 124.99 2vgg s VAL 240 Ca -0.00 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 2vgg s VAL 240 Cb -0.13 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 2vgg s VAL 240 CO 0.03 -0.45 0.18 -0.08 0.00 0.00 0.00 175.10 174.78 2vgg h GLU 241 N 11.57 0.00 -4.93 2.72 4.81 -1.22 0.60 114.58 128.13 2vgg h GLU 241 Ca -0.32 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.24 2vgg h GLU 241 Cb 1.15 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.18 2vgg h GLU 241 CO 1.03 0.39 -0.80 -0.80 -0.73 0.00 0.00 179.01 178.11 2vgg s ASN 242 N -5.95 4.05 0.65 1.04 0.01 -0.76 -4.76 114.94 109.22 2vgg s ASN 242 Ca -0.12 -1.05 0.00 0.00 -0.71 0.00 0.00 52.86 50.98 2vgg s ASN 242 Cb 0.01 -1.56 0.09 0.00 0.41 0.00 0.00 41.25 40.19 2vgg s ASN 242 CO 0.31 -0.12 0.91 -0.83 -1.51 0.00 0.00 177.10 175.85 2vgg s GLY 243 N 1.22 1.78 0.00 0.66 0.00 -1.26 0.79 107.32 110.50 2vgg s GLY 243 Ca -0.03 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.13 2vgg s GLY 243 CO -0.07 -1.11 0.00 0.61 0.00 0.00 0.00 173.10 172.53 2vgg n GLY 244 N -2.64 -1.20 3.52 0.20 0.00 -0.75 -4.79 105.19 99.52 2vgg n GLY 244 Ca 0.12 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 2vgg n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vgg s VAL 245 N -3.00 4.30 0.08 1.61 1.01 -1.26 -2.14 120.40 121.00 2vgg s VAL 245 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 2vgg s VAL 245 Cb 0.00 -4.61 -0.07 0.00 0.00 0.00 0.00 36.38 31.71 2vgg s VAL 245 CO 0.00 -1.25 0.62 -0.22 0.00 0.00 0.00 175.10 174.26 2vgg s LEU 246 N 4.18 4.52 0.00 3.92 2.96 -0.62 -5.01 118.68 128.63 2vgg s LEU 246 Ca 0.30 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.54 2vgg s LEU 246 Cb -0.13 -3.00 0.00 0.00 0.50 0.00 0.00 46.19 43.57 2vgg s LEU 246 CO 0.18 0.22 0.00 0.61 -1.32 0.00 0.00 176.35 176.04 2vgg n GLY 247 N 1.86 6.29 3.72 7.98 0.00 -1.26 -2.77 105.19 121.01 2vgg n GLY 247 Ca -0.08 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 2vgg n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vgg s SER 248 N 0.92 6.65 -0.52 1.61 0.01 -1.26 -4.66 113.70 116.45 2vgg s SER 248 Ca 0.00 0.78 -0.21 0.00 1.31 0.00 0.00 55.95 57.83 2vgg s SER 248 Cb 0.00 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.99 2vgg s SER 248 CO 0.00 0.01 0.64 0.54 0.41 0.00 0.00 173.24 174.84 2vgg n ARG 249 N 3.66 -2.00 -4.37 12.44 1.74 -0.49 -5.00 116.66 122.65 2vgg n ARG 249 Ca -0.08 1.64 -0.27 0.00 -0.77 0.00 0.00 57.85 58.37 2vgg n ARG 249 Cb 0.52 -3.95 -0.13 0.00 -1.02 0.00 0.00 32.46 27.88 2vgg n ARG 249 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2vgg s LYS 250 N -2.87 1.36 0.04 5.56 1.02 -1.25 -4.75 119.74 118.85 2vgg s LYS 250 Ca 0.24 -1.34 -0.36 0.00 0.02 0.00 0.00 55.97 54.53 2vgg s LYS 250 Cb -0.04 -1.77 -0.15 0.00 -0.52 0.00 0.00 37.83 35.35 2vgg s LYS 250 CO 0.82 0.41 1.50 0.41 -0.92 0.00 0.00 175.35 177.57 2vgg n GLY 251 N 0.82 0.76 3.59 -3.33 0.00 -1.26 -2.02 105.19 103.76 2vgg n GLY 251 Ca -0.17 0.74 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 2vgg n GLY 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vgg s VAL 252 N 1.30 3.53 -0.01 1.61 1.01 -0.25 -0.03 120.40 127.55 2vgg s VAL 252 Ca 0.86 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2vgg s VAL 252 Cb -0.88 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 32.90 2vgg s VAL 252 CO 0.48 0.22 0.01 0.20 0.00 0.00 0.00 175.10 176.01 2vgg s ASN 253 N -1.91 0.04 -0.60 3.32 0.01 0.15 -4.35 114.94 111.60 2vgg s ASN 253 Ca 0.20 0.02 0.04 0.00 -0.71 0.00 0.00 52.86 52.41 2vgg s ASN 253 Cb -0.11 -0.03 0.15 0.00 0.41 0.00 0.00 41.25 41.66 2vgg s ASN 253 CO 0.12 -0.06 0.37 -0.76 -1.51 0.00 0.00 177.10 175.26 2vgg s LEU 254 N 0.51 4.40 0.78 0.60 1.43 -1.26 -1.51 118.68 123.63 2vgg s LEU 254 Ca -0.04 -3.39 -0.11 0.00 -1.03 0.00 0.00 54.13 49.55 2vgg s LEU 254 Cb -0.06 -1.58 0.06 0.00 0.03 0.00 0.00 46.19 44.64 2vgg s LEU 254 CO -0.01 -0.16 1.09 -2.16 0.23 0.00 0.00 176.35 175.34 2vgg s PRO 255 N -0.80 2.23 0.00 1.29 0.05 -1.26 -3.01 135.00 133.49 2vgg s PRO 255 Ca 0.21 0.65 0.00 0.00 0.05 0.00 0.00 61.00 61.91 2vgg s PRO 255 Cb -0.15 -1.93 0.00 0.00 0.05 0.00 0.00 34.50 32.46 2vgg s PRO 255 CO -0.08 -1.52 0.00 0.41 0.05 0.00 0.00 177.00 175.86 2vgg n GLY 256 N -2.18 0.80 3.62 0.56 0.00 -1.26 -4.82 105.19 101.91 2vgg n GLY 256 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2vgg n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vgg s ALA 257 N -1.59 3.29 -0.43 4.61 0.00 -1.17 -5.07 121.76 121.40 2vgg s ALA 257 Ca 0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 2vgg s ALA 257 Cb 0.00 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.43 2vgg s ALA 257 CO 0.00 0.32 1.08 1.14 0.00 0.00 0.00 175.76 178.30 2vgg s GLN 258 N -0.03 3.80 -0.44 0.00 -2.07 -1.26 -4.94 119.66 114.71 2vgg s GLN 258 Ca 0.04 0.66 -0.24 0.00 -1.82 0.00 0.00 55.36 54.00 2vgg s GLN 258 Cb -0.13 -3.86 0.02 0.00 -1.09 0.00 0.00 33.01 27.96 2vgg s GLN 258 CO 0.02 -1.21 0.84 0.08 -1.32 0.00 0.00 175.29 173.70 2vgg s VAL 259 N 4.11 4.59 -1.34 3.63 1.01 -1.26 -4.87 120.40 126.26 2vgg s VAL 259 Ca 0.45 0.61 0.30 0.00 0.00 0.00 0.00 61.98 63.35 2vgg s VAL 259 Cb -0.09 -4.35 0.47 0.00 0.00 0.00 0.00 36.38 32.40 2vgg s VAL 259 CO 0.26 -0.73 2.02 -0.90 0.00 0.00 0.00 175.10 175.76 2vgg n ASP 260 N 6.85 0.00 -4.58 3.32 5.75 -1.26 -4.84 116.55 121.79 2vgg n ASP 260 Ca 0.04 -0.01 -0.55 0.00 -0.01 0.00 0.00 54.79 54.25 2vgg n ASP 260 Cb 0.48 -0.33 -0.07 0.00 -1.03 0.00 0.00 41.12 40.18 2vgg n ASP 260 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2vgg n LEU 261 N -1.33 1.18 -4.78 -2.12 7.94 -1.26 -4.90 117.00 111.73 2vgg n LEU 261 Ca 0.13 1.13 -0.36 0.00 -1.11 0.00 0.00 56.01 55.80 2vgg n LEU 261 Cb 0.26 -1.09 -0.02 0.00 0.53 0.00 0.00 43.42 43.10 2vgg n LEU 261 CO 0.24 -1.26 0.78 -2.16 -1.11 0.00 0.00 177.39 173.88 2vgg s PRO 262 N 0.66 3.72 0.14 1.96 0.05 -1.26 -4.96 135.00 135.31 2vgg s PRO 262 Ca 0.88 1.61 -0.15 0.00 0.05 0.00 0.00 61.00 63.39 2vgg s PRO 262 Cb -1.08 -2.25 0.01 0.00 0.05 0.00 0.00 34.50 31.23 2vgg s PRO 262 CO 0.53 -0.55 1.71 0.78 0.05 0.00 0.00 177.00 179.52 2vgg h GLY 263 N 1.78 0.69 -7.56 0.56 0.00 -1.94 -3.38 103.07 93.22 2vgg h GLY 263 Ca -0.49 -0.35 -0.69 0.00 0.00 0.00 0.00 47.33 45.79 2vgg h GLY 263 CO 0.59 0.34 -0.59 1.08 0.00 0.00 0.00 176.54 177.95 2vgg s LEU 264 N -9.85 4.92 0.47 3.11 1.02 -1.26 -4.38 118.68 112.71 2vgg s LEU 264 Ca -0.13 -1.87 -0.09 0.00 0.02 0.00 0.00 54.13 52.06 2vgg s LEU 264 Cb 0.11 -1.79 -0.05 0.00 0.02 0.00 0.00 46.19 44.47 2vgg s LEU 264 CO 0.75 -0.47 0.83 -0.94 0.02 0.00 0.00 176.35 176.55 2vgg s SER 265 N 1.62 6.40 0.23 2.29 1.04 -1.26 -4.93 113.70 119.09 2vgg s SER 265 Ca 0.06 1.14 -0.12 0.00 0.48 0.00 0.00 55.95 57.50 2vgg s SER 265 Cb -0.22 -2.33 0.30 0.00 0.10 0.00 0.00 66.02 63.88 2vgg s SER 265 CO -0.04 -0.55 1.61 -0.33 0.98 0.00 0.00 173.24 174.91 2vgg h GLU 266 N 0.64 0.00 -0.40 4.02 5.08 -1.99 0.08 114.58 122.00 2vgg h GLU 266 Ca -0.47 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.97 2vgg h GLU 266 Cb 1.19 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 2vgg h GLU 266 CO 0.63 0.00 -0.05 0.37 -1.00 0.00 0.00 179.01 178.96 2vgg h GLN 267 N 0.00 0.05 -0.95 2.33 5.75 -1.99 0.56 115.11 120.87 2vgg h GLN 267 Ca 0.36 -0.00 0.15 0.00 -0.15 0.00 0.00 58.65 59.01 2vgg h GLN 267 Cb 0.54 -0.01 -0.10 0.00 1.07 0.00 0.00 27.48 28.99 2vgg h GLN 267 CO -0.76 0.03 0.55 -0.44 -2.65 0.00 0.00 178.83 175.56 2vgg h ASP 268 N 0.05 0.73 -0.36 -0.69 3.32 -1.38 0.43 116.42 118.53 2vgg h ASP 268 Ca 0.20 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 2vgg h ASP 268 Cb 0.29 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2vgg h ASP 268 CO -0.37 0.32 -0.08 0.58 -1.72 0.00 0.00 179.24 177.97 2vgg h VAL 269 N 0.78 1.28 -0.03 -1.35 2.07 -0.27 0.23 116.25 118.96 2vgg h VAL 269 Ca 0.51 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.92 2vgg h VAL 269 Cb 0.69 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2vgg h VAL 269 CO -0.34 0.38 -0.14 0.03 0.02 0.00 0.00 177.57 177.52 2vgg h ARG 270 N 0.49 -0.21 -0.59 1.57 3.08 -0.54 -0.11 114.38 118.06 2vgg h ARG 270 Ca 0.09 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.24 2vgg h ARG 270 Cb 0.59 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.62 2vgg h ARG 270 CO 0.03 -0.14 0.23 -0.44 -1.07 0.00 0.00 179.97 178.58 2vgg h ASP 271 N -0.22 0.24 -0.48 7.04 5.19 0.50 0.12 116.42 128.81 2vgg h ASP 271 Ca 0.06 0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.49 2vgg h ASP 271 Cb 0.30 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 2vgg h ASP 271 CO -0.16 0.15 0.13 -0.07 -3.12 0.00 0.00 179.24 176.17 2vgg h LEU 272 N 0.42 0.73 -0.56 1.55 3.38 -0.11 -0.53 115.31 120.17 2vgg h LEU 272 Ca 0.29 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2vgg h LEU 272 Cb 0.34 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2vgg h LEU 272 CO -0.29 0.76 0.35 0.03 0.09 0.00 0.00 178.44 179.38 2vgg h ARG 273 N 0.66 0.66 -0.41 1.13 2.47 0.39 0.96 114.38 120.25 2vgg h ARG 273 Ca 0.15 -0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.92 2vgg h ARG 273 Cb 0.31 -0.15 -0.09 0.00 -1.65 0.00 0.00 29.97 28.39 2vgg h ARG 273 CO -0.00 0.44 -0.22 0.35 0.56 0.00 0.00 179.97 181.10 2vgg h PHE 274 N 0.68 -0.56 -0.57 3.04 3.57 -0.35 0.92 116.94 123.68 2vgg h PHE 274 Ca 0.23 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.85 2vgg h PHE 274 Cb 0.01 0.31 -0.10 0.00 2.79 0.00 0.00 35.95 38.96 2vgg h PHE 274 CO -0.06 -0.30 -0.48 0.78 -2.23 0.00 0.00 178.31 176.03 2vgg h GLY 275 N -0.15 -0.63 0.94 2.40 0.00 0.77 0.60 103.07 107.01 2vgg h GLY 275 Ca 0.20 0.62 -0.01 0.00 0.00 0.00 0.00 47.33 48.14 2vgg h GLY 275 CO -0.50 -0.13 -0.16 -2.08 0.00 0.00 0.00 176.54 173.67 2vgg h VAL 276 N -0.25 0.67 -0.94 4.60 2.07 -0.23 0.66 116.25 122.83 2vgg h VAL 276 Ca 0.15 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.96 2vgg h VAL 276 Cb 0.56 0.67 -0.15 0.00 -1.52 0.00 0.00 31.29 30.84 2vgg h VAL 276 CO -0.69 0.00 0.34 -0.33 0.02 0.00 0.00 177.57 176.91 2vgg h GLU 277 N -0.41 0.18 -0.26 1.57 5.08 0.29 0.23 114.58 121.26 2vgg h GLU 277 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2vgg h GLU 277 Cb 0.33 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2vgg h GLU 277 CO 0.03 0.12 0.00 0.72 -1.00 0.00 0.00 179.01 178.88 2vgg n HIS 278 N -5.22 0.33 -3.32 4.33 8.25 0.09 -4.98 115.22 114.71 2vgg n HIS 278 Ca 0.27 -0.17 -0.19 0.00 -0.26 0.00 0.00 57.72 57.37 2vgg n HIS 278 Cb 0.85 0.00 0.06 0.00 1.12 0.00 0.00 29.99 32.02 2vgg n HIS 278 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2vgg n GLY 279 N 1.35 -0.23 3.59 -1.41 0.00 0.81 -4.99 105.19 104.30 2vgg n GLY 279 Ca 0.18 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 2vgg n GLY 279 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2vgg n VAL 280 N -4.46 0.00 0.37 1.61 0.24 -0.79 -4.95 118.33 110.35 2vgg n VAL 280 Ca -0.00 -0.10 0.05 0.00 -2.04 0.00 0.00 64.34 62.25 2vgg n VAL 280 Cb 0.55 -0.92 -0.07 0.00 -1.47 0.00 0.00 33.84 31.93 2vgg n VAL 280 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2vgg n ASP 281 N -3.79 1.04 -3.69 -1.34 9.92 -0.31 -4.87 116.55 113.50 2vgg n ASP 281 Ca 0.10 -0.55 -0.11 0.00 -0.53 0.00 0.00 54.79 53.69 2vgg n ASP 281 Cb 0.53 1.14 -0.10 0.00 -0.64 0.00 0.00 41.12 42.05 2vgg n ASP 281 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2vgg s ILE 282 N -2.22 -0.01 -0.45 0.53 1.01 -1.10 -2.94 121.20 116.02 2vgg s ILE 282 Ca 0.02 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 2vgg s ILE 282 Cb 0.08 -0.70 0.09 0.00 0.01 0.00 0.00 42.46 41.94 2vgg s ILE 282 CO 0.45 0.01 0.32 -0.69 0.00 0.00 0.00 174.94 175.03 2vgg s VAL 283 N 0.87 4.43 -0.42 2.92 1.01 0.19 -0.57 120.40 128.82 2vgg s VAL 283 Ca -0.05 -1.46 -0.28 0.00 0.00 0.00 0.00 61.98 60.19 2vgg s VAL 283 Cb -0.05 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2vgg s VAL 283 CO -0.07 -0.61 1.55 -0.36 0.00 0.00 0.00 175.10 175.61 2vgg s PHE 284 N 1.45 2.18 -0.37 5.22 0.08 0.68 -2.20 117.98 125.02 2vgg s PHE 284 Ca 0.04 0.64 -0.23 0.00 0.12 0.00 0.00 56.93 57.50 2vgg s PHE 284 Cb -0.24 -4.26 0.01 0.00 -0.57 0.00 0.00 43.02 37.96 2vgg s PHE 284 CO 0.02 -2.28 0.77 0.00 -0.10 0.00 0.00 175.22 173.63 2vgg s ALA 285 N 6.11 3.42 0.99 5.36 0.00 -0.36 -2.32 121.76 134.96 2vgg s ALA 285 Ca 0.66 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.80 2vgg s ALA 285 Cb -0.16 -3.35 0.19 0.00 0.00 0.00 0.00 23.12 19.80 2vgg s ALA 285 CO 0.32 -1.50 1.08 -1.12 0.00 0.00 0.00 175.76 174.54 2vgg s SER 286 N 1.85 2.50 -1.16 0.00 0.01 -1.26 -1.69 113.70 113.96 2vgg s SER 286 Ca 0.30 1.57 -0.15 0.00 1.31 0.00 0.00 55.95 58.99 2vgg s SER 286 Cb -0.13 -2.24 0.15 0.00 0.21 0.00 0.00 66.02 64.01 2vgg s SER 286 CO 0.17 -3.26 0.37 0.49 0.41 0.00 0.00 173.24 171.42 2vgg n PHE 287 N -4.30 -1.03 -1.85 2.43 3.01 -1.26 -4.78 117.46 109.69 2vgg n PHE 287 Ca 0.06 0.42 -0.42 0.00 1.01 0.00 0.00 57.45 58.52 2vgg n PHE 287 Cb 0.55 -1.30 -0.03 0.00 -0.01 0.00 0.00 39.48 38.69 2vgg n PHE 287 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2vgg s VAL 288 N -2.49 3.31 -0.72 -4.37 1.01 -1.03 -4.87 120.40 111.24 2vgg s VAL 288 Ca 0.52 0.36 0.12 0.00 0.00 0.00 0.00 61.98 62.97 2vgg s VAL 288 Cb -0.30 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 2vgg s VAL 288 CO 0.63 -0.10 0.55 0.54 0.00 0.00 0.00 175.10 176.73 2vgg n ARG 289 N 7.76 2.83 -3.59 2.72 1.74 -1.26 -4.48 116.66 122.39 2vgg n ARG 289 Ca 0.21 -0.21 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 2vgg n ARG 289 Cb 0.43 -1.07 -0.05 0.00 -1.02 0.00 0.00 32.46 30.76 2vgg n ARG 289 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2vgg s LYS 290 N -1.90 0.46 0.27 5.56 -2.85 -1.26 -4.38 119.74 115.62 2vgg s LYS 290 Ca 0.06 0.08 -0.04 0.00 -1.00 0.00 0.00 55.97 55.07 2vgg s LYS 290 Cb 0.09 0.21 0.51 0.00 -2.06 0.00 0.00 37.83 36.59 2vgg s LYS 290 CO 0.41 -0.15 1.43 0.00 0.10 0.00 0.00 175.35 177.15 2vgg n ALA 291 N 0.59 0.30 0.13 0.59 0.00 -1.26 0.58 120.51 121.44 2vgg n ALA 291 Ca -0.07 1.00 0.10 0.00 0.00 0.00 0.00 53.44 54.47 2vgg n ALA 291 Cb 0.58 -0.64 0.59 0.00 0.00 0.00 0.00 19.45 19.99 2vgg n ALA 291 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2vgg h SER 292 N 0.00 0.13 -0.52 0.00 4.64 -1.98 -1.30 113.55 114.51 2vgg h SER 292 Ca 0.48 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.85 2vgg h SER 292 Cb 0.83 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.84 2vgg h SER 292 CO -0.92 0.09 0.25 0.44 -0.87 0.00 0.00 176.83 175.82 2vgg h ASP 293 N 0.15 0.34 1.16 4.97 3.32 -0.27 -1.70 116.42 124.39 2vgg h ASP 293 Ca 0.10 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 2vgg h ASP 293 Cb 0.23 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2vgg h ASP 293 CO -0.01 0.23 -0.33 1.62 -1.72 0.00 0.00 179.24 179.02 2vgg h VAL 294 N 0.48 0.68 0.29 -1.35 3.04 -1.32 -2.76 116.25 115.31 2vgg h VAL 294 Ca 0.24 -1.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.38 2vgg h VAL 294 Cb 0.18 2.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.46 2vgg h VAL 294 CO -0.18 0.33 -0.32 0.00 -1.01 0.00 0.00 177.57 176.38 2vgg h ALA 295 N 1.67 -0.66 -0.05 3.17 0.00 -1.01 -1.55 119.26 120.83 2vgg h ALA 295 Ca -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2vgg h ALA 295 Cb 1.00 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2vgg h ALA 295 CO 0.04 -0.91 -0.44 0.00 0.00 0.00 0.00 179.25 177.94 2vgg h ALA 296 N -0.10 -0.85 -1.09 0.00 0.00 -1.07 0.35 119.26 116.51 2vgg h ALA 296 Ca -0.01 -0.06 0.42 0.00 0.00 0.00 0.00 54.91 55.25 2vgg h ALA 296 Cb 0.60 0.90 -0.15 0.00 0.00 0.00 0.00 17.79 19.14 2vgg h ALA 296 CO -0.08 -0.99 0.64 0.28 0.00 0.00 0.00 179.25 179.10 2vgg n VAL 297 N -4.91 -0.33 -0.04 0.00 0.31 -1.10 0.55 118.33 112.82 2vgg n VAL 297 Ca -0.06 1.82 -0.13 0.00 -0.01 0.00 0.00 64.34 65.96 2vgg n VAL 297 Cb 0.32 -2.96 -0.09 0.00 -0.91 0.00 0.00 33.84 30.20 2vgg n VAL 297 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2vgg h ARG 298 N 0.00 0.20 0.41 5.55 2.43 0.67 -0.38 114.38 123.25 2vgg h ARG 298 Ca 0.81 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.85 2vgg h ARG 298 Cb 2.34 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.89 2vgg h ARG 298 CO -0.60 0.68 -0.29 0.00 -1.51 0.00 0.00 179.97 178.24 2vgg h ALA 299 N 0.52 -0.69 -0.71 2.80 0.00 0.20 -1.08 119.26 120.31 2vgg h ALA 299 Ca 0.01 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.92 2vgg h ALA 299 Cb 0.66 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 2vgg h ALA 299 CO 0.03 -0.91 0.26 0.00 0.00 0.00 0.00 179.25 178.62 2vgg h ALA 300 N -0.18 0.95 -0.17 0.00 0.00 -0.65 0.70 119.26 119.92 2vgg h ALA 300 Ca -0.04 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2vgg h ALA 300 Cb 0.59 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2vgg h ALA 300 CO 0.01 -0.22 0.14 1.25 0.00 0.00 0.00 179.25 180.44 2vgg h LEU 301 N 0.41 0.00 -0.19 0.00 5.85 -0.12 -3.42 115.31 117.83 2vgg h LEU 301 Ca 0.38 0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.29 2vgg h LEU 301 Cb 0.55 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 2vgg h LEU 301 CO -0.39 0.00 -0.38 0.61 -0.34 0.00 0.00 178.44 177.94 2vgg n GLY 302 N -1.49 -2.01 0.16 3.75 0.00 0.25 -3.85 105.19 101.98 2vgg n GLY 302 Ca 0.01 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 2vgg n GLY 302 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vgg h PRO 303 N -0.69 0.46 0.00 1.61 0.11 -1.88 -1.17 132.00 130.44 2vgg h PRO 303 Ca -0.02 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2vgg h PRO 303 Cb 0.68 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2vgg h PRO 303 CO 0.02 0.43 0.25 0.39 -0.21 0.00 0.00 178.00 178.88 2vgg n GLU 304 N -4.76 0.05 -0.89 1.05 -0.58 -1.26 -2.93 120.64 111.32 2vgg n GLU 304 Ca -0.02 0.46 0.03 0.00 -0.42 0.00 0.00 57.16 57.21 2vgg n GLU 304 Cb 0.11 -1.92 0.16 0.00 -0.57 0.00 0.00 31.44 29.22 2vgg n GLU 304 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2vgg n GLY 305 N -1.29 4.63 0.24 0.62 0.00 -0.44 -4.74 105.19 104.21 2vgg n GLY 305 Ca -0.01 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.73 2vgg n GLY 305 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2vgg h HIS 306 N 1.13 0.00 0.00 1.61 3.86 -1.66 -2.71 115.15 117.39 2vgg h HIS 306 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2vgg h HIS 306 Cb 1.18 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.65 2vgg h HIS 306 CO 0.68 0.14 -0.00 0.78 0.86 0.00 0.00 177.93 180.39 2vgg h GLY 307 N 0.55 0.00 -4.62 2.45 0.00 -1.89 -3.45 103.07 96.11 2vgg h GLY 307 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.80 2vgg h GLY 307 CO 0.02 0.00 0.88 -0.42 0.00 0.00 0.00 176.54 177.02 2vgg s ILE 308 N -3.56 2.67 -0.13 2.60 1.01 -1.02 -4.98 121.20 117.79 2vgg s ILE 308 Ca 0.03 0.47 -0.24 0.00 0.00 0.00 0.00 60.65 60.90 2vgg s ILE 308 Cb 0.08 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 2vgg s ILE 308 CO 0.58 0.03 0.76 -0.54 0.00 0.00 0.00 174.94 175.77 2vgg s LYS 309 N 1.22 4.35 -0.40 2.79 -0.14 -1.15 -4.91 119.74 121.49 2vgg s LYS 309 Ca 0.70 0.92 -0.12 0.00 -1.36 0.00 0.00 55.97 56.11 2vgg s LYS 309 Cb -0.43 -3.52 0.04 0.00 -1.68 0.00 0.00 37.83 32.23 2vgg s LYS 309 CO 0.31 -0.16 0.25 0.42 -0.76 0.00 0.00 175.35 175.41 2vgg s ILE 310 N 1.57 4.71 -0.38 2.17 1.01 -1.26 -0.63 121.20 128.38 2vgg s ILE 310 Ca 0.37 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 2vgg s ILE 310 Cb -0.17 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2vgg s ILE 310 CO 0.15 -0.32 0.23 -0.63 0.00 0.00 0.00 174.94 174.37 2vgg s ILE 311 N 1.57 4.78 -0.00 2.92 -1.09 -0.93 -2.24 121.20 126.20 2vgg s ILE 311 Ca 0.03 -0.77 -0.30 0.00 -2.23 0.00 0.00 60.65 57.37 2vgg s ILE 311 Cb -0.20 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2vgg s ILE 311 CO 0.07 -0.24 1.10 -0.44 -1.23 0.00 0.00 174.94 174.20 2vgg s SER 312 N 1.59 7.19 -0.01 3.58 0.01 -1.07 -1.22 113.70 123.77 2vgg s SER 312 Ca 0.03 1.79 -0.19 0.00 1.31 0.00 0.00 55.95 58.89 2vgg s SER 312 Cb -0.19 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 2vgg s SER 312 CO 0.08 -0.42 0.54 -0.54 0.41 0.00 0.00 173.24 173.31 2vgg s LYS 313 N 1.40 4.24 -0.17 12.44 1.02 -0.68 -1.71 119.74 136.28 2vgg s LYS 313 Ca 0.54 0.64 -0.00 0.00 0.02 0.00 0.00 55.97 57.17 2vgg s LYS 313 Cb -0.24 -3.32 -0.00 0.00 -0.52 0.00 0.00 37.83 33.74 2vgg s LYS 313 CO 0.26 0.42 -0.14 0.42 -0.92 0.00 0.00 175.35 175.39 2vgg s ILE 314 N -0.33 2.74 0.00 2.17 -1.09 -0.83 -2.47 121.20 121.38 2vgg s ILE 314 Ca 0.29 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 2vgg s ILE 314 Cb -0.18 -2.17 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 2vgg s ILE 314 CO 0.16 0.50 0.17 -0.62 -1.23 0.00 0.00 174.94 173.92 2vgg n GLU 315 N 4.23 0.00 -3.82 2.79 1.02 -1.26 -1.36 120.64 122.23 2vgg n GLU 315 Ca -0.19 -0.17 -0.07 0.00 -0.02 0.00 0.00 57.16 56.71 2vgg n GLU 315 Cb 0.51 -0.31 -0.02 0.00 -0.02 0.00 0.00 31.44 31.61 2vgg n GLU 315 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2vgg s ASN 316 N 0.00 -0.27 0.17 1.62 2.20 -1.26 -2.54 114.94 114.87 2vgg s ASN 316 Ca 0.00 -0.55 -0.23 0.00 -0.94 0.00 0.00 52.86 51.14 2vgg s ASN 316 Cb 0.00 0.69 0.08 0.00 -2.00 0.00 0.00 41.25 40.02 2vgg s ASN 316 CO 0.00 -1.27 1.58 -0.74 -2.94 0.00 0.00 177.10 173.73 2vgg h HIS 317 N 2.00 -1.04 -0.37 1.54 -0.00 -1.93 0.16 115.15 115.51 2vgg h HIS 317 Ca -0.20 0.07 0.07 0.00 -0.00 0.00 0.00 60.37 60.30 2vgg h HIS 317 Cb 1.25 0.53 -0.06 0.00 -0.00 0.00 0.00 27.41 29.13 2vgg h HIS 317 CO 0.41 -0.40 0.01 1.49 -0.00 0.00 0.00 177.93 179.44 2vgg h GLU 318 N -0.21 0.11 -0.65 5.26 4.81 -1.97 0.20 114.58 122.12 2vgg h GLU 318 Ca 0.20 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.54 2vgg h GLU 318 Cb 0.56 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.82 2vgg h GLU 318 CO -0.64 0.07 0.20 0.78 -0.73 0.00 0.00 179.01 178.69 2vgg h GLY 319 N 0.11 0.90 0.89 1.92 0.00 -0.97 0.94 103.07 106.87 2vgg h GLY 319 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2vgg h GLY 319 CO -0.29 -0.09 0.07 -2.08 0.00 0.00 0.00 176.54 174.15 2vgg h VAL 320 N 0.34 1.15 0.00 4.60 2.07 0.81 -1.08 116.25 124.15 2vgg h VAL 320 Ca 0.35 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2vgg h VAL 320 Cb 0.51 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2vgg h VAL 320 CO -0.39 0.14 -0.03 0.11 0.02 0.00 0.00 177.57 177.42 2vgg h LYS 321 N 0.14 0.00 -0.28 1.57 1.79 0.70 -2.44 116.57 118.05 2vgg h LYS 321 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2vgg h LYS 321 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2vgg h LYS 321 CO -0.01 0.03 0.00 0.54 -1.08 0.00 0.00 179.45 178.94 2vgg n ARG 322 N -3.59 2.85 -0.30 3.15 1.74 0.18 -4.66 116.66 116.03 2vgg n ARG 322 Ca -0.02 -2.27 -0.08 0.00 -0.77 0.00 0.00 57.85 54.70 2vgg n ARG 322 Cb 0.13 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 30.09 2vgg n ARG 322 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2vgg h PHE 323 N 1.74 -1.46 -0.99 -1.55 3.57 -0.69 0.41 116.94 117.97 2vgg h PHE 323 Ca 0.00 0.10 0.19 0.00 3.53 0.00 0.00 57.97 61.79 2vgg h PHE 323 Cb 0.94 0.74 -0.10 0.00 2.79 0.00 0.00 35.95 40.33 2vgg h PHE 323 CO 0.29 -0.41 0.61 -0.44 -2.23 0.00 0.00 178.31 176.13 2vgg h ASP 324 N -0.14 0.70 -0.14 0.41 3.32 -1.83 0.41 116.42 119.14 2vgg h ASP 324 Ca 0.20 0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.19 2vgg h ASP 324 Cb 0.53 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2vgg h ASP 324 CO -0.81 0.26 -0.45 1.05 -1.72 0.00 0.00 179.24 177.57 2vgg h GLU 325 N 0.68 0.56 -0.56 3.56 4.11 -0.65 -2.87 114.58 119.41 2vgg h GLU 325 Ca 0.55 -0.41 0.03 0.00 0.07 0.00 0.00 59.36 59.61 2vgg h GLU 325 Cb 0.97 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 2vgg h GLU 325 CO -0.33 1.03 0.33 0.82 0.07 0.00 0.00 179.01 180.93 2vgg h ILE 326 N 0.19 1.04 -0.61 -1.06 2.04 0.14 -2.65 117.51 116.59 2vgg h ILE 326 Ca -0.01 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2vgg h ILE 326 Cb 1.07 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2vgg h ILE 326 CO 0.10 0.12 0.38 0.25 0.00 0.00 0.00 178.15 179.00 2vgg h LEU 327 N 0.64 0.64 -0.67 1.44 6.46 -0.27 -2.12 115.31 121.43 2vgg h LEU 327 Ca 0.23 -0.00 0.11 0.00 -0.12 0.00 0.00 57.88 58.09 2vgg h LEU 327 Cb 0.06 -0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 39.77 2vgg h LEU 327 CO -0.11 0.45 0.28 -0.08 -0.62 0.00 0.00 178.44 178.35 2vgg h GLU 328 N 0.76 0.45 0.00 1.25 4.81 -1.24 -2.32 114.58 118.29 2vgg h GLU 328 Ca 0.24 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2vgg h GLU 328 Cb -0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2vgg h GLU 328 CO -0.09 0.30 -0.14 0.28 -0.73 0.00 0.00 179.01 178.63 2vgg n VAL 329 N -4.96 0.51 -3.74 0.32 0.31 -0.91 -4.93 118.33 104.93 2vgg n VAL 329 Ca 0.11 -0.27 -0.20 0.00 -0.01 0.00 0.00 64.34 63.97 2vgg n VAL 329 Cb 0.31 -0.47 -0.02 0.00 -0.91 0.00 0.00 33.84 32.75 2vgg n VAL 329 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2vgg s SER 330 N -4.37 5.81 0.17 4.52 0.01 -0.85 -5.01 113.70 113.99 2vgg s SER 330 Ca 0.10 -0.22 0.26 0.00 1.31 0.00 0.00 55.95 57.40 2vgg s SER 330 Cb 0.13 -1.31 0.89 0.00 0.21 0.00 0.00 66.02 65.94 2vgg s SER 330 CO 0.62 -0.29 1.80 0.47 0.41 0.00 0.00 173.24 176.25 2vgg n ASP 331 N -1.47 0.66 0.00 2.44 8.00 -0.95 -4.95 116.55 120.28 2vgg n ASP 331 Ca -0.03 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.03 2vgg n ASP 331 Cb 0.58 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 2vgg n ASP 331 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vgg n GLY 332 N 1.29 -1.14 3.12 0.44 0.00 -1.25 -3.82 105.19 103.84 2vgg n GLY 332 Ca 0.06 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2vgg n GLY 332 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vgg s ILE 333 N -3.00 0.13 -0.06 -0.61 -1.09 0.17 -2.59 121.20 114.15 2vgg s ILE 333 Ca 0.00 -1.04 0.04 0.00 -2.23 0.00 0.00 60.65 57.42 2vgg s ILE 333 Cb 0.00 -0.86 -0.00 0.00 -1.58 0.00 0.00 42.46 40.02 2vgg s ILE 333 CO 0.00 -0.57 -0.19 -0.32 -1.23 0.00 0.00 174.94 172.63 2vgg s MET 334 N -2.51 2.11 -0.76 2.79 -2.45 -0.69 -0.19 119.30 117.59 2vgg s MET 334 Ca -0.06 -0.67 -0.20 0.00 -1.25 0.00 0.00 55.69 53.51 2vgg s MET 334 Cb -0.02 -1.76 0.11 0.00 1.25 0.00 0.00 34.83 34.42 2vgg s MET 334 CO -0.04 0.22 0.95 0.08 1.05 0.00 0.00 175.02 177.29 2vgg s VAL 335 N 0.15 4.69 -1.11 10.11 1.01 0.92 -1.96 120.40 134.20 2vgg s VAL 335 Ca -0.08 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.57 2vgg s VAL 335 Cb -0.14 -4.66 0.08 0.00 0.00 0.00 0.00 36.38 31.66 2vgg s VAL 335 CO 0.04 -1.37 1.50 0.00 0.00 0.00 0.00 175.10 175.26 2vgg s ALA 336 N 2.93 3.10 0.14 5.51 0.00 -0.46 -3.35 121.76 129.63 2vgg s ALA 336 Ca 0.23 -2.63 0.31 0.00 0.00 0.00 0.00 51.96 49.88 2vgg s ALA 336 Cb -0.13 -4.47 1.28 0.00 0.00 0.00 0.00 23.12 19.80 2vgg s ALA 336 CO 0.00 -3.36 1.96 0.00 0.00 0.00 0.00 175.76 174.36 2vgg h ARG 337 N 8.75 0.00 0.00 0.00 3.08 -1.82 -2.19 114.38 122.19 2vgg h ARG 337 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2vgg h ARG 337 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2vgg h ARG 337 CO 1.38 0.06 0.00 0.41 -1.07 0.00 0.00 179.97 180.75 2vgg n GLY 338 N 0.00 -2.94 0.23 0.04 0.00 -1.26 0.01 105.19 101.27 2vgg n GLY 338 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2vgg n GLY 338 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vgg h ASP 339 N 0.00 -0.53 -1.05 1.61 3.32 -1.85 -1.08 116.42 116.84 2vgg h ASP 339 Ca 0.00 0.06 0.37 0.00 0.02 0.00 0.00 57.03 57.48 2vgg h ASP 339 Cb 0.00 0.20 -0.15 0.00 0.22 0.00 0.00 39.33 39.59 2vgg h ASP 339 CO 0.00 -0.28 0.61 0.25 -1.72 0.00 0.00 179.24 178.10 2vgg h LEU 340 N -0.38 0.42 0.00 1.55 5.85 -1.10 0.54 115.31 122.19 2vgg h LEU 340 Ca 0.02 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2vgg h LEU 340 Cb 0.39 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2vgg h LEU 340 CO -0.09 -0.23 0.00 0.61 -0.34 0.00 0.00 178.44 178.39 2vgg n GLY 341 N -1.32 -0.86 0.02 3.75 0.00 0.10 -1.45 105.19 105.43 2vgg n GLY 341 Ca 0.34 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 2vgg n GLY 341 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2vgg n ILE 342 N -1.21 0.24 -0.18 -0.61 5.41 0.18 -4.19 119.36 118.99 2vgg n ILE 342 Ca 0.11 -0.13 -0.11 0.00 1.00 0.00 0.00 62.75 63.62 2vgg n ILE 342 Cb 0.13 -0.83 0.01 0.00 -0.71 0.00 0.00 39.64 38.24 2vgg n ILE 342 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2vgg h GLU 343 N 0.00 1.03 -6.17 0.38 4.39 -1.10 -3.44 114.58 109.67 2vgg h GLU 343 Ca -0.09 -0.40 -0.55 0.00 0.34 0.00 0.00 59.36 58.66 2vgg h GLU 343 Cb 1.19 -0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.69 2vgg h GLU 343 CO -0.00 1.09 -0.61 0.96 -1.16 0.00 0.00 179.01 179.28 2vgg s ILE 344 N -4.80 3.40 0.61 3.13 -4.36 -0.53 -4.78 121.20 113.87 2vgg s ILE 344 Ca -0.12 -1.84 -0.18 0.00 -0.26 0.00 0.00 60.65 58.25 2vgg s ILE 344 Cb 0.13 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 2vgg s ILE 344 CO 0.87 -0.33 1.04 -2.65 0.24 0.00 0.00 174.94 174.11 2vgg n PRO 345 N -0.97 0.96 -0.31 0.37 -0.02 -1.26 -4.62 135.00 129.15 2vgg n PRO 345 Ca -0.06 0.37 -0.04 0.00 -2.02 0.00 0.00 63.50 61.76 2vgg n PRO 345 Cb 0.59 -2.25 0.08 0.00 -0.02 0.00 0.00 33.50 31.91 2vgg n PRO 345 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vgg h ALA 346 N 0.52 1.07 0.00 3.55 0.00 -1.93 -2.34 119.26 120.13 2vgg h ALA 346 Ca -0.49 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2vgg h ALA 346 Cb 1.36 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2vgg h ALA 346 CO 0.51 0.50 0.10 0.39 0.00 0.00 0.00 179.25 180.75 2vgg n GLU 347 N -4.47 0.00 -0.03 0.00 4.71 -1.26 -2.85 120.64 116.74 2vgg n GLU 347 Ca 0.09 0.41 0.00 0.00 -0.01 0.00 0.00 57.16 57.65 2vgg n GLU 347 Cb 0.03 -1.62 -0.10 0.00 -1.01 0.00 0.00 31.44 28.74 2vgg n GLU 347 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2vgg n LYS 348 N -1.43 1.18 -0.28 3.49 5.02 -0.88 -4.56 118.16 120.70 2vgg n LYS 348 Ca -0.00 -0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.30 2vgg n LYS 348 Cb 0.10 -1.32 0.19 0.00 -0.02 0.00 0.00 35.03 33.98 2vgg n LYS 348 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2vgg h VAL 349 N 0.00 0.29 -0.71 -0.18 2.07 -1.59 0.14 116.25 116.26 2vgg h VAL 349 Ca -0.17 -0.04 0.15 0.00 0.82 0.00 0.00 66.70 67.47 2vgg h VAL 349 Cb 1.20 0.17 -0.12 0.00 -1.52 0.00 0.00 31.29 31.02 2vgg h VAL 349 CO 0.01 0.02 -0.03 2.19 0.02 0.00 0.00 177.57 179.78 2vgg h PHE 350 N 0.11 -0.11 -0.25 1.57 -0.00 -1.80 0.95 116.94 117.40 2vgg h PHE 350 Ca 0.46 0.05 0.03 0.00 -0.00 0.00 0.00 57.97 58.51 2vgg h PHE 350 Cb 0.85 0.16 -0.03 0.00 -0.00 0.00 0.00 35.95 36.93 2vgg h PHE 350 CO -0.42 -0.23 0.08 -0.07 -0.00 0.00 0.00 178.31 177.67 2vgg h LEU 351 N 0.09 0.09 -1.14 2.10 3.38 -1.04 0.47 115.31 119.26 2vgg h LEU 351 Ca 0.37 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2vgg h LEU 351 Cb 0.63 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2vgg h LEU 351 CO -0.64 0.09 0.54 0.00 0.09 0.00 0.00 178.44 178.52 2vgg h ALA 352 N 1.16 1.37 -0.01 1.53 0.00 0.49 -0.82 119.26 122.98 2vgg h ALA 352 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vgg h ALA 352 Cb 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2vgg h ALA 352 CO -0.11 0.57 -0.00 0.37 0.00 0.00 0.00 179.25 180.07 2vgg h GLN 353 N 1.15 0.01 0.00 0.00 4.15 0.35 -1.94 115.11 118.84 2vgg h GLN 353 Ca 0.31 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.66 2vgg h GLN 353 Cb -0.11 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2vgg h GLN 353 CO -0.06 0.44 -0.29 0.87 -1.93 0.00 0.00 178.83 177.86 2vgg h LYS 354 N -0.41 0.00 0.26 1.69 1.57 0.01 -2.01 116.57 117.67 2vgg h LYS 354 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2vgg h LYS 354 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2vgg h LYS 354 CO 0.00 0.29 -0.12 1.98 -0.57 0.00 0.00 179.45 181.03 2vgg h MET 355 N 0.00 -0.33 -0.57 3.15 4.05 -0.99 -2.22 114.93 118.02 2vgg h MET 355 Ca -0.00 0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.37 2vgg h MET 355 Cb 0.53 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 2vgg h MET 355 CO 0.04 0.02 0.07 0.52 0.23 0.00 0.00 176.91 177.79 2vgg h MET 356 N -0.80 0.92 -0.52 0.39 2.86 -1.21 -0.83 114.93 115.75 2vgg h MET 356 Ca -0.04 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.41 2vgg h MET 356 Cb 0.51 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 2vgg h MET 356 CO 0.06 0.87 0.27 0.82 1.06 0.00 0.00 176.91 179.99 2vgg h ILE 357 N 0.87 0.96 0.53 -1.22 2.04 -1.43 0.22 117.51 119.49 2vgg h ILE 357 Ca 0.17 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2vgg h ILE 357 Cb 0.41 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2vgg h ILE 357 CO 0.01 0.10 -0.48 1.23 0.00 0.00 0.00 178.15 179.01 2vgg h GLY 358 N 0.52 -1.20 0.46 5.37 0.00 -0.79 0.31 103.07 107.73 2vgg h GLY 358 Ca 0.23 0.55 0.06 0.00 0.00 0.00 0.00 47.33 48.17 2vgg h GLY 358 CO -0.15 -0.38 -0.04 3.21 0.00 0.00 0.00 176.54 179.17 2vgg h ARG 359 N -1.00 0.03 -0.10 4.80 3.08 -0.95 -0.68 114.38 119.56 2vgg h ARG 359 Ca -0.06 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.03 2vgg h ARG 359 Cb 0.86 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.85 2vgg h ARG 359 CO -0.03 0.02 -0.27 0.00 -1.07 0.00 0.00 179.97 178.62 2vgg h ASN 361 N -0.35 -0.06 -0.86 0.00 -0.26 0.68 0.15 115.58 114.89 2vgg h ASN 361 Ca 0.09 0.19 -0.00 0.00 -0.56 0.00 0.00 56.30 56.02 2vgg h ASN 361 Cb 0.49 0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 37.98 2vgg h ASN 361 CO -0.30 -0.15 0.53 0.25 -1.06 0.00 0.00 177.43 176.70 2vgg h LEU 362 N 0.20 1.02 0.00 1.61 5.85 0.29 -1.32 115.31 122.95 2vgg h LEU 362 Ca 0.52 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.19 2vgg h LEU 362 Cb 1.02 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2vgg h LEU 362 CO -0.65 0.77 -0.36 0.00 -0.34 0.00 0.00 178.44 177.86 2vgg n ALA 363 N -2.41 3.19 -2.66 1.25 0.00 0.26 -4.92 120.51 115.22 2vgg n ALA 363 Ca 0.09 -0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 2vgg n ALA 363 Cb 0.05 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.30 2vgg n ALA 363 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vgg n GLY 364 N 1.49 0.13 3.50 0.00 0.00 0.28 -5.05 105.19 105.54 2vgg n GLY 364 Ca 0.06 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 2vgg n GLY 364 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vgg s LYS 365 N -5.14 1.86 0.37 1.61 1.02 -1.18 -4.87 119.74 113.42 2vgg s LYS 365 Ca 0.16 -1.14 -0.27 0.00 0.02 0.00 0.00 55.97 54.74 2vgg s LYS 365 Cb -0.07 -2.15 -0.11 0.00 -0.52 0.00 0.00 37.83 34.97 2vgg s LYS 365 CO 0.20 0.49 1.33 -2.30 -0.92 0.00 0.00 175.35 174.15 2vgg n PRO 366 N 0.83 2.20 -4.21 -1.68 -0.02 -1.25 -4.50 135.00 126.37 2vgg n PRO 366 Ca -0.15 0.77 -0.17 0.00 -2.02 0.00 0.00 63.50 61.93 2vgg n PRO 366 Cb 0.53 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.43 2vgg n PRO 366 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2vgg s VAL 367 N -1.13 0.49 -0.08 -1.45 0.11 -1.26 -0.65 120.40 116.43 2vgg s VAL 367 Ca 0.57 -0.25 0.05 0.00 -2.93 0.00 0.00 61.98 59.41 2vgg s VAL 367 Cb -0.53 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 2vgg s VAL 367 CO 0.61 0.14 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.60 2vgg s VAL 368 N -0.08 2.11 -0.12 2.04 1.01 0.73 -0.22 120.40 125.87 2vgg s VAL 368 Ca 0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 2vgg s VAL 368 Cb -0.03 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2vgg s VAL 368 CO -0.00 0.56 0.01 0.00 0.00 0.00 0.00 175.10 175.68 2vgg s ALA 370 N -0.42 -0.10 0.00 0.00 0.00 -1.21 -2.20 121.76 117.82 2vgg s ALA 370 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2vgg s ALA 370 Cb -0.12 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.28 2vgg s ALA 370 CO 0.02 -0.35 0.00 2.41 0.00 0.00 0.00 175.76 177.85 2vgg n THR 371 N 0.65 -1.25 -2.05 0.00 -1.04 -1.26 -3.34 114.28 105.99 2vgg n THR 371 Ca -0.18 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.67 2vgg n THR 371 Cb 0.59 -1.25 -0.03 0.00 -1.82 0.00 0.00 70.33 67.82 2vgg n THR 371 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vgg n GLN 372 N -0.06 -1.75 0.13 -2.82 6.02 -1.26 -4.83 117.38 112.81 2vgg n GLN 372 Ca 0.00 0.83 0.01 0.00 -0.01 0.00 0.00 57.00 57.83 2vgg n GLN 372 Cb 0.00 -5.32 0.35 0.00 1.02 0.00 0.00 30.24 26.28 2vgg n GLN 372 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2vgg h MET 373 N 0.00 0.18 -0.33 -1.09 2.86 -1.87 -3.28 114.93 111.40 2vgg h MET 373 Ca -0.35 -0.06 -0.25 0.00 -2.06 0.00 0.00 59.70 56.98 2vgg h MET 373 Cb 1.18 -0.02 -0.37 0.00 0.06 0.00 0.00 31.60 32.45 2vgg h MET 373 CO 0.45 0.43 -1.00 1.28 1.06 0.00 0.00 176.91 179.13 2vgg n LEU 374 N -4.18 2.05 -0.18 1.22 4.32 -1.26 -4.58 117.00 114.39 2vgg n LEU 374 Ca -0.01 -3.10 -0.12 0.00 -0.02 0.00 0.00 56.01 52.75 2vgg n LEU 374 Cb 0.35 0.14 -0.08 0.00 -1.62 0.00 0.00 43.42 42.21 2vgg n LEU 374 CO 0.39 1.10 0.52 -0.33 -1.22 0.00 0.00 177.39 177.85 2vgg h GLU 375 N 1.98 -0.31 -0.00 3.23 4.39 -1.96 -0.09 114.58 121.81 2vgg h GLU 375 Ca -0.07 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2vgg h GLU 375 Cb 1.46 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.18 2vgg h GLU 375 CO 0.24 -0.21 0.22 0.66 -1.16 0.00 0.00 179.01 178.76 2vgg h SER 376 N -0.32 0.00 0.00 1.42 4.64 -1.92 1.02 113.55 118.38 2vgg h SER 376 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2vgg h SER 376 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2vgg h SER 376 CO -0.64 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.55 2vgg n MET 377 N -2.97 0.45 0.17 4.77 2.81 -0.05 0.08 117.12 122.39 2vgg n MET 377 Ca -0.02 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.91 2vgg n MET 377 Cb 0.28 -1.33 0.22 0.00 -0.71 0.00 0.00 33.22 31.68 2vgg n MET 377 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2vgg h ILE 378 N 0.00 0.93 0.00 2.02 2.04 0.91 -3.36 117.51 120.05 2vgg h ILE 378 Ca 0.00 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.03 2vgg h ILE 378 Cb 0.00 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2vgg h ILE 378 CO 0.00 0.44 -0.86 0.41 0.00 0.00 0.00 178.15 178.14 2vgg n THR 379 N -3.44 0.00 -4.40 -0.27 -1.04 -0.05 -1.98 114.28 103.09 2vgg n THR 379 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.76 2vgg n THR 379 Cb 0.60 -0.53 -0.12 0.00 -1.82 0.00 0.00 70.33 68.46 2vgg n THR 379 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2vgg s LYS 380 N -1.83 1.47 0.00 -2.82 1.02 0.11 -4.92 119.74 112.77 2vgg s LYS 380 Ca 0.00 -1.51 0.30 0.00 0.02 0.00 0.00 55.97 54.78 2vgg s LYS 380 Cb 0.00 -1.73 1.41 0.00 -0.52 0.00 0.00 37.83 36.99 2vgg s LYS 380 CO 0.00 0.37 1.97 -0.35 -0.92 0.00 0.00 175.35 176.42 2vgg n PRO 381 N 0.24 0.76 -4.24 -1.68 -0.05 -1.26 -3.97 135.00 124.79 2vgg n PRO 381 Ca -0.12 -0.19 -0.17 0.00 -0.05 0.00 0.00 63.50 62.97 2vgg n PRO 381 Cb 0.56 -1.50 -0.13 0.00 -0.05 0.00 0.00 33.50 32.38 2vgg n PRO 381 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 2vgg s ARG 382 N -2.37 0.68 0.64 0.54 1.81 -1.26 -4.98 118.95 114.01 2vgg s ARG 382 Ca 0.33 -0.53 -0.06 0.00 -1.72 0.00 0.00 55.73 53.76 2vgg s ARG 382 Cb 0.21 -0.61 0.04 0.00 -0.45 0.00 0.00 34.95 34.13 2vgg s ARG 382 CO 0.44 0.15 0.95 -1.25 -0.68 0.00 0.00 175.30 174.91 2vgg s PRO 383 N -0.81 2.51 0.67 3.54 0.04 -1.26 -4.61 135.00 135.08 2vgg s PRO 383 Ca -0.01 -0.21 -0.07 0.00 0.04 0.00 0.00 61.00 60.75 2vgg s PRO 383 Cb -0.06 -2.24 0.04 0.00 0.04 0.00 0.00 34.50 32.28 2vgg s PRO 383 CO 0.00 -0.98 0.99 0.95 0.04 0.00 0.00 177.00 178.01 2vgg s THR 384 N -3.10 2.90 0.48 1.26 -4.23 -1.26 -4.89 115.64 106.81 2vgg s THR 384 Ca 0.57 -0.06 0.19 0.00 -1.18 0.00 0.00 61.69 61.21 2vgg s THR 384 Cb -0.11 -3.22 0.24 0.00 1.34 0.00 0.00 72.50 70.76 2vgg s THR 384 CO 0.44 -0.24 2.08 0.03 -0.54 0.00 0.00 174.62 176.39 2vgg h ARG 385 N -0.48 0.00 -0.03 3.99 2.47 -2.00 0.80 114.38 119.13 2vgg h ARG 385 Ca -0.45 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.09 2vgg h ARG 385 Cb 1.29 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.60 2vgg h ARG 385 CO 0.61 0.10 -0.78 0.00 0.56 0.00 0.00 179.97 180.46 2vgg h ALA 386 N 1.90 0.61 -0.01 0.04 0.00 -1.98 -2.74 119.26 117.06 2vgg h ALA 386 Ca -0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 54.91 54.00 2vgg h ALA 386 Cb 0.20 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.94 2vgg h ALA 386 CO 0.01 0.83 -1.00 0.93 0.00 0.00 0.00 179.25 180.02 2vgg h GLU 387 N 0.17 0.65 -0.14 0.00 5.08 -1.13 0.45 114.58 119.66 2vgg h GLU 387 Ca -0.03 -0.68 0.05 0.00 -1.00 0.00 0.00 59.36 57.69 2vgg h GLU 387 Cb 1.37 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 30.74 2vgg h GLU 387 CO 0.12 1.28 -0.35 1.15 -1.00 0.00 0.00 179.01 180.21 2vgg h THR 388 N 0.37 0.23 -0.97 1.13 2.02 -1.38 -1.41 112.91 112.90 2vgg h THR 388 Ca -0.11 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.15 2vgg h THR 388 Cb 1.65 0.23 -0.07 0.00 -1.74 0.00 0.00 68.15 68.22 2vgg h THR 388 CO 0.19 0.00 0.61 -1.28 0.37 0.00 0.00 175.52 175.42 2vgg h SER 389 N -0.42 0.95 -0.23 4.18 0.87 -1.16 -1.41 113.55 116.34 2vgg h SER 389 Ca 0.09 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2vgg h SER 389 Cb 0.57 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2vgg h SER 389 CO -0.38 0.58 0.11 -0.78 -0.53 0.00 0.00 176.83 175.83 2vgg h ASP 390 N 1.07 0.17 -0.07 6.23 3.58 0.91 -1.90 116.42 126.41 2vgg h ASP 390 Ca 0.44 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.91 2vgg h ASP 390 Cb 0.27 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2vgg h ASP 390 CO -0.21 0.13 -0.01 0.58 -2.88 0.00 0.00 179.24 176.85 2vgg h VAL 391 N 0.24 0.94 -0.10 2.25 2.07 -0.35 -0.21 116.25 121.10 2vgg h VAL 391 Ca 0.09 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 2vgg h VAL 391 Cb 0.02 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2vgg h VAL 391 CO -0.06 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.36 2vgg h ALA 392 N 1.06 -0.12 0.00 1.67 0.00 -1.23 -1.70 119.26 118.94 2vgg h ALA 392 Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2vgg h ALA 392 Cb 0.04 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2vgg h ALA 392 CO -0.06 -0.63 -0.03 -0.91 0.00 0.00 0.00 179.25 177.62 2vgg h ASN 393 N -0.22 0.00 0.05 0.00 2.35 -0.78 0.14 115.58 117.11 2vgg h ASN 393 Ca 0.09 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 2vgg h ASN 393 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2vgg h ASN 393 CO -0.23 0.03 -0.47 0.00 -1.65 0.00 0.00 177.43 175.11 2vgg h ALA 394 N 1.97 0.83 -0.02 -0.83 0.00 -0.13 0.26 119.26 121.35 2vgg h ALA 394 Ca -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2vgg h ALA 394 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2vgg h ALA 394 CO 0.00 0.66 -0.07 0.28 0.00 0.00 0.00 179.25 180.12 2vgg h VAL 395 N 0.39 1.50 -0.12 0.00 2.07 -0.43 -2.22 116.25 117.44 2vgg h VAL 395 Ca 0.02 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 66.00 2vgg h VAL 395 Cb 0.97 2.51 -0.00 0.00 -1.52 0.00 0.00 31.29 33.25 2vgg h VAL 395 CO 0.09 0.42 0.15 -0.07 0.02 0.00 0.00 177.57 178.18 2vgg h LEU 396 N -0.54 0.00 -0.68 2.57 4.07 -1.03 0.15 115.31 119.86 2vgg h LEU 396 Ca -0.00 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.83 2vgg h LEU 396 Cb 0.73 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 2vgg h LEU 396 CO 0.02 0.00 -0.32 0.44 -1.08 0.00 0.00 178.44 177.50 2vgg h ASP 397 N 0.00 0.70 0.00 -0.43 3.32 0.11 -3.47 116.42 116.65 2vgg h ASP 397 Ca 0.06 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2vgg h ASP 397 Cb 0.36 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2vgg h ASP 397 CO -0.00 0.97 0.00 0.61 -1.72 0.00 0.00 179.24 179.10 2vgg n GLY 398 N -0.12 0.59 3.77 2.75 0.00 0.53 -4.79 105.19 107.92 2vgg n GLY 398 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2vgg n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vgg s ALA 399 N -1.29 3.60 0.04 4.61 0.00 -0.96 -4.90 121.76 122.85 2vgg s ALA 399 Ca 0.00 1.48 -0.16 0.00 0.00 0.00 0.00 51.96 53.28 2vgg s ALA 399 Cb 0.00 -3.59 -0.31 0.00 0.00 0.00 0.00 23.12 19.22 2vgg s ALA 399 CO 0.00 -0.92 1.06 -0.44 0.00 0.00 0.00 175.76 175.46 2vgg h ASP 400 N 3.72 0.84 -3.98 0.00 3.32 -0.94 -3.45 116.42 115.93 2vgg h ASP 400 Ca -0.49 -0.86 -0.43 0.00 0.02 0.00 0.00 57.03 55.27 2vgg h ASP 400 Cb 1.23 -0.27 -0.18 0.00 0.22 0.00 0.00 39.33 40.33 2vgg h ASP 400 CO 0.69 1.63 -0.76 0.00 -1.72 0.00 0.00 179.24 179.08 2vgg s ILE 402 N -2.16 2.07 0.22 0.00 -4.36 -0.79 -1.70 121.20 114.49 2vgg s ILE 402 Ca 0.10 -2.20 0.09 0.00 -0.26 0.00 0.00 60.65 58.38 2vgg s ILE 402 Cb -0.05 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 2vgg s ILE 402 CO 0.03 -0.42 -0.16 -0.32 0.24 0.00 0.00 174.94 174.31 2vgg s MET 403 N -3.32 1.42 -0.01 0.37 1.75 -0.94 0.40 119.30 118.96 2vgg s MET 403 Ca 0.23 -1.63 0.02 0.00 -1.25 0.00 0.00 55.69 53.07 2vgg s MET 403 Cb -0.04 -1.30 -0.00 0.00 2.84 0.00 0.00 34.83 36.33 2vgg s MET 403 CO 0.10 0.23 -0.08 -0.51 -0.65 0.00 0.00 175.02 174.11 2vgg s LEU 404 N -3.34 1.95 0.00 4.11 1.43 0.11 -4.61 118.68 118.33 2vgg s LEU 404 Ca 0.24 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2vgg s LEU 404 Cb -0.02 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.78 2vgg s LEU 404 CO 0.09 0.08 0.00 -1.20 0.23 0.00 0.00 176.35 175.55 2vgg n SER 405 N 3.00 0.00 -0.29 2.29 7.64 -1.26 -1.65 113.62 123.35 2vgg n SER 405 Ca -0.15 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.84 2vgg n SER 405 Cb 0.57 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 64.02 2vgg n SER 405 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2vgg h GLY 406 N 0.00 1.19 -0.36 0.23 0.00 -1.98 0.20 103.07 102.35 2vgg h GLY 406 Ca 0.00 0.04 0.30 0.00 0.00 0.00 0.00 47.33 47.67 2vgg h GLY 406 CO 0.00 -0.37 0.66 0.83 0.00 0.00 0.00 176.54 177.66 2vgg h GLU 407 N 0.14 0.37 -0.01 4.80 3.07 -1.88 -2.32 114.58 118.76 2vgg h GLU 407 Ca 0.52 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 2vgg h GLU 407 Cb 1.02 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 2vgg h GLU 407 CO -0.70 0.25 -0.15 0.25 -1.40 0.00 0.00 179.01 177.26 2vgg n THR 408 N -4.79 0.00 -0.07 1.13 -2.24 0.46 -3.84 114.28 104.92 2vgg n THR 408 Ca 0.29 -0.43 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 2vgg n THR 408 Cb 0.95 1.08 -0.12 0.00 -2.10 0.00 0.00 70.33 70.14 2vgg n THR 408 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vgg n ALA 409 N -0.31 1.07 -0.01 6.98 0.00 0.24 -4.18 120.51 124.31 2vgg n ALA 409 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2vgg n ALA 409 Cb 0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 2vgg n ALA 409 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2vgg n LYS 410 N -3.67 1.92 -1.40 0.00 5.02 -0.97 -0.67 118.16 118.38 2vgg n LYS 410 Ca -0.39 -0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.60 2vgg n LYS 410 Cb 0.95 -1.05 0.15 0.00 -0.02 0.00 0.00 35.03 35.06 2vgg n LYS 410 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2vgg s GLY 411 N -2.75 1.57 0.00 0.72 0.00 -1.00 -4.70 107.32 101.17 2vgg s GLY 411 Ca -0.01 -0.49 0.23 0.00 0.00 0.00 0.00 44.72 44.46 2vgg s GLY 411 CO 0.08 0.10 1.80 0.70 0.00 0.00 0.00 173.10 175.78 2vgg n ASN 412 N -3.93 0.53 -2.68 1.64 3.02 -0.84 -4.23 115.26 108.77 2vgg n ASN 412 Ca 0.06 -1.39 -0.08 0.00 -0.03 0.00 0.00 54.58 53.14 2vgg n ASN 412 Cb 0.59 -0.02 0.04 0.00 -0.61 0.00 0.00 39.78 39.77 2vgg n ASN 412 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2vgg n PHE 413 N -0.49 0.83 0.01 3.10 3.01 -1.26 -4.98 117.46 117.70 2vgg n PHE 413 Ca 0.17 -2.64 -0.12 0.00 1.01 0.00 0.00 57.45 55.88 2vgg n PHE 413 Cb 0.17 -0.18 -0.07 0.00 -0.01 0.00 0.00 39.48 39.39 2vgg n PHE 413 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2vgg h PRO 414 N 2.86 0.06 -0.45 -1.08 0.13 -1.74 0.19 132.00 131.97 2vgg h PRO 414 Ca -0.12 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.96 2vgg h PRO 414 Cb 1.20 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2vgg h PRO 414 CO 0.41 0.11 0.11 0.28 -0.23 0.00 0.00 178.00 178.68 2vgg h VAL 415 N -0.00 1.24 -0.11 1.56 2.07 -1.93 -1.35 116.25 117.72 2vgg h VAL 415 Ca 0.02 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2vgg h VAL 415 Cb 0.06 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2vgg h VAL 415 CO -0.00 0.29 -0.06 -0.33 0.02 0.00 0.00 177.57 177.49 2vgg h GLU 416 N 0.61 0.16 -0.24 1.57 3.07 -1.85 -0.29 114.58 117.61 2vgg h GLU 416 Ca 0.14 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 2vgg h GLU 416 Cb 0.33 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2vgg h GLU 416 CO 0.00 0.24 0.01 0.00 -1.40 0.00 0.00 179.01 177.86 2vgg h ALA 417 N 1.79 0.32 -0.10 3.43 0.00 -0.01 -2.39 119.26 122.29 2vgg h ALA 417 Ca 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2vgg h ALA 417 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2vgg h ALA 417 CO 0.01 0.03 0.05 0.28 0.00 0.00 0.00 179.25 179.62 2vgg h VAL 418 N 0.20 0.99 -0.66 0.00 2.07 -0.02 -1.59 116.25 117.24 2vgg h VAL 418 Ca 0.07 -0.04 0.12 0.00 0.82 0.00 0.00 66.70 67.67 2vgg h VAL 418 Cb 0.38 0.88 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 2vgg h VAL 418 CO 0.01 0.02 0.21 0.11 0.02 0.00 0.00 177.57 177.93 2vgg h LYS 419 N 0.10 0.34 0.43 1.57 1.57 -1.10 -0.28 116.57 119.21 2vgg h LYS 419 Ca 0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2vgg h LYS 419 Cb 0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2vgg h LYS 419 CO -0.03 0.22 -0.25 1.98 -0.57 0.00 0.00 179.45 180.80 2vgg h MET 420 N 0.35 -0.62 -0.99 3.15 4.05 -0.99 0.52 114.93 120.40 2vgg h MET 420 Ca 0.35 0.04 0.19 0.00 -0.28 0.00 0.00 59.70 60.00 2vgg h MET 420 Cb 0.51 0.14 -0.11 0.00 -0.80 0.00 0.00 31.60 31.35 2vgg h MET 420 CO -0.39 -0.41 0.59 1.96 0.23 0.00 0.00 176.91 178.89 2vgg h GLN 421 N -0.64 0.71 -0.81 0.39 4.20 -0.67 0.21 115.11 118.48 2vgg h GLN 421 Ca -0.05 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 2vgg h GLN 421 Cb 0.52 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 2vgg h GLN 421 CO 0.06 0.47 0.37 1.25 -0.67 0.00 0.00 178.83 180.32 2vgg h HIS 422 N 0.73 1.19 -0.15 2.96 2.76 -0.28 -2.00 115.15 120.36 2vgg h HIS 422 Ca 0.57 -0.07 -0.14 0.00 -2.20 0.00 0.00 60.37 58.54 2vgg h HIS 422 Cb 0.91 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.51 2vgg h HIS 422 CO -0.02 0.87 -0.45 0.00 -1.30 0.00 0.00 177.93 177.03 2vgg h ALA 423 N 1.20 0.26 0.12 5.26 0.00 0.15 -2.82 119.26 123.43 2vgg h ALA 423 Ca 0.28 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2vgg h ALA 423 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2vgg h ALA 423 CO -0.03 0.40 -0.06 0.82 0.00 0.00 0.00 179.25 180.39 2vgg h ILE 424 N 0.22 0.94 -0.66 0.00 2.04 -0.89 -2.92 117.51 116.24 2vgg h ILE 424 Ca -0.01 -0.19 0.14 0.00 1.00 0.00 0.00 64.86 65.80 2vgg h ILE 424 Cb 1.07 1.06 -0.10 0.00 -0.74 0.00 0.00 36.82 38.10 2vgg h ILE 424 CO 0.10 0.05 0.07 0.00 0.00 0.00 0.00 178.15 178.36 2vgg h ALA 425 N 0.64 0.73 -0.89 1.87 0.00 -1.37 0.64 119.26 120.88 2vgg h ALA 425 Ca -0.02 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2vgg h ALA 425 Cb 0.19 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2vgg h ALA 425 CO 0.03 -0.37 0.58 0.00 0.00 0.00 0.00 179.25 179.48 2vgg h ARG 426 N 0.18 1.09 -0.07 0.00 3.08 -1.31 0.63 114.38 117.98 2vgg h ARG 426 Ca 0.35 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 2vgg h ARG 426 Cb 0.58 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2vgg h ARG 426 CO -0.51 0.72 -0.04 0.93 -1.07 0.00 0.00 179.97 180.00 2vgg h GLU 427 N 1.12 0.15 -0.95 0.04 4.39 -1.00 -2.65 114.58 115.68 2vgg h GLU 427 Ca 0.35 -0.07 0.13 0.00 0.34 0.00 0.00 59.36 60.12 2vgg h GLU 427 Cb -0.01 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.56 2vgg h GLU 427 CO -0.11 0.53 0.60 0.00 -1.16 0.00 0.00 179.01 178.87 2vgg h ALA 428 N 0.61 1.68 -0.06 3.43 0.00 0.07 -1.37 119.26 123.61 2vgg h ALA 428 Ca 0.01 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2vgg h ALA 428 Cb 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2vgg h ALA 428 CO 0.01 0.07 -0.48 0.93 0.00 0.00 0.00 179.25 179.79 2vgg h GLU 429 N 0.84 0.16 0.00 0.00 5.08 0.41 -0.96 114.58 120.10 2vgg h GLU 429 Ca 0.48 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2vgg h GLU 429 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2vgg h GLU 429 CO -0.24 0.60 0.00 0.00 -1.00 0.00 0.00 179.01 178.37 2vgg n ALA 430 N -2.46 1.82 0.98 3.43 0.00 -0.54 -3.03 120.51 120.70 2vgg n ALA 430 Ca -0.02 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.49 2vgg n ALA 430 Cb 0.52 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 2vgg n ALA 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vgg n ALA 431 N -1.55 4.20 -1.70 0.00 0.00 -0.37 -4.90 120.51 116.18 2vgg n ALA 431 Ca 0.04 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 2vgg n ALA 431 Cb 0.22 -0.77 -0.00 0.00 0.00 0.00 0.00 19.45 18.91 2vgg n ALA 431 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2vgg n VAL 432 N -0.84 2.18 -2.81 0.00 0.31 -1.16 -4.91 118.33 111.10 2vgg n VAL 432 Ca 0.06 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.47 2vgg n VAL 432 Cb 0.39 -1.58 0.01 0.00 -0.91 0.00 0.00 33.84 31.75 2vgg n VAL 432 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vgg n TYR 433 N 0.15 2.49 -0.37 3.52 9.36 -1.26 -4.84 117.16 126.21 2vgg n TYR 433 Ca 0.05 -2.57 0.01 0.00 3.32 0.00 0.00 57.90 58.72 2vgg n TYR 433 Cb 0.37 -1.24 0.07 0.00 -0.63 0.00 0.00 39.34 37.91 2vgg n TYR 433 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2vgg n HIS 434 N 0.69 0.12 0.00 2.98 8.25 -1.26 -0.91 115.22 125.09 2vgg n HIS 434 Ca 0.37 1.20 0.00 0.00 -0.26 0.00 0.00 57.72 59.03 2vgg n HIS 434 Cb 0.30 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.48 2vgg n HIS 434 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2vgg n ARG 435 N -5.49 0.00 -0.29 -0.41 0.63 -1.26 0.16 116.66 110.00 2vgg n ARG 435 Ca 0.12 0.07 0.12 0.00 -0.92 0.00 0.00 57.85 57.24 2vgg n ARG 435 Cb 0.42 -0.18 0.28 0.00 0.45 0.00 0.00 32.46 33.44 2vgg n ARG 435 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2vgg h GLN 436 N 0.00 0.27 0.83 -0.14 4.15 -1.44 -0.98 115.11 117.80 2vgg h GLN 436 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 2vgg h GLN 436 Cb 0.00 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 27.64 2vgg h GLN 436 CO 0.00 0.18 -0.40 1.25 -1.93 0.00 0.00 178.83 177.93 2vgg h LEU 437 N 0.28 -0.95 -0.27 -2.39 5.85 0.15 0.72 115.31 118.70 2vgg h LEU 437 Ca 0.54 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.33 2vgg h LEU 437 Cb 1.04 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 2vgg h LEU 437 CO -0.59 -0.66 0.05 0.15 -0.34 0.00 0.00 178.44 177.05 2vgg h PHE 438 N -1.15 0.09 -0.01 1.25 3.57 0.22 0.61 116.94 121.51 2vgg h PHE 438 Ca -0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.44 2vgg h PHE 438 Cb 0.86 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.54 2vgg h PHE 438 CO 0.03 0.02 -0.33 0.93 -2.23 0.00 0.00 178.31 176.73 2vgg h GLU 439 N 0.16 -0.46 -0.45 1.11 5.08 -1.11 0.47 114.58 119.38 2vgg h GLU 439 Ca 0.13 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 2vgg h GLU 439 Cb 0.13 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 2vgg h GLU 439 CO -0.17 -0.31 0.03 0.93 -1.00 0.00 0.00 179.01 178.50 2vgg h GLU 440 N -0.48 0.15 0.67 2.33 5.08 0.21 0.34 114.58 122.87 2vgg h GLU 440 Ca 0.06 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2vgg h GLU 440 Cb 0.57 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2vgg h GLU 440 CO -0.28 0.10 -0.32 -0.07 -1.00 0.00 0.00 179.01 177.43 2vgg h LEU 441 N 0.15 -0.76 -0.96 1.33 3.38 0.65 -0.56 115.31 118.54 2vgg h LEU 441 Ca 0.23 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.28 2vgg h LEU 441 Cb 0.32 0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.15 2vgg h LEU 441 CO -0.35 -0.46 -0.57 0.54 0.09 0.00 0.00 178.44 177.70 2vgg n ARG 442 N -5.43 -0.42 0.02 1.13 1.74 0.16 -0.57 116.66 113.28 2vgg n ARG 442 Ca -0.13 1.46 -0.10 0.00 -0.77 0.00 0.00 57.85 58.30 2vgg n ARG 442 Cb 0.38 -2.14 -0.04 0.00 -1.02 0.00 0.00 32.46 29.64 2vgg n ARG 442 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2vgg h ARG 443 N 0.00 -0.35 -0.59 5.56 2.43 -0.15 -2.19 114.38 119.10 2vgg h ARG 443 Ca 0.15 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2vgg h ARG 443 Cb 0.39 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2vgg h ARG 443 CO -0.90 -0.23 0.22 0.00 -1.51 0.00 0.00 179.97 177.55 2vgg h ALA 444 N 0.51 0.76 -2.69 2.80 0.00 -0.67 -3.44 119.26 116.54 2vgg h ALA 444 Ca 0.09 -0.17 -0.52 0.00 0.00 0.00 0.00 54.91 54.30 2vgg h ALA 444 Cb 0.49 -0.23 0.06 0.00 0.00 0.00 0.00 17.79 18.12 2vgg h ALA 444 CO -0.30 0.39 0.93 0.00 0.00 0.00 0.00 179.25 180.27 2vgg s ALA 445 N -5.52 3.83 0.83 0.00 0.00 0.26 -4.95 121.76 116.21 2vgg s ALA 445 Ca -0.13 1.51 -0.11 0.00 0.00 0.00 0.00 51.96 53.24 2vgg s ALA 445 Cb 0.13 -3.66 0.09 0.00 0.00 0.00 0.00 23.12 19.68 2vgg s ALA 445 CO 0.80 -0.89 1.09 -1.25 0.00 0.00 0.00 175.76 175.51 2vgg s PRO 446 N 0.66 1.83 0.93 0.00 0.04 -1.26 -4.94 135.00 132.25 2vgg s PRO 446 Ca 0.70 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.56 2vgg s PRO 446 Cb -0.47 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.25 2vgg s PRO 446 CO 0.36 -1.88 0.50 1.28 0.04 0.00 0.00 177.00 177.30 2vgg n LEU 447 N -3.66 0.29 -4.01 -3.56 4.77 -1.26 -5.02 117.00 104.55 2vgg n LEU 447 Ca 0.08 0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 56.32 2vgg n LEU 447 Cb 0.54 -1.24 -0.08 0.00 -2.33 0.00 0.00 43.42 40.31 2vgg n LEU 447 CO 0.55 -3.42 -0.10 -0.55 -1.33 0.00 0.00 177.39 172.54 2vgg s SER 448 N -2.04 0.12 0.00 -1.43 0.15 -1.26 -5.05 113.70 104.18 2vgg s SER 448 Ca 0.59 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2vgg s SER 448 Cb -0.22 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2vgg s SER 448 CO 0.66 -0.84 0.36 -1.14 1.20 0.00 0.00 173.24 173.48 2vgg n ARG 449 N -0.17 -0.45 -2.86 5.44 3.00 -1.26 -4.93 116.66 115.43 2vgg n ARG 449 Ca -0.07 -0.38 -0.42 0.00 -0.00 0.00 0.00 57.85 56.97 2vgg n ARG 449 Cb 0.63 -0.82 -0.04 0.00 0.00 0.00 0.00 32.46 32.23 2vgg n ARG 449 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2vgg s ASP 450 N -0.05 6.66 0.46 6.15 2.15 -1.26 -4.90 116.67 125.88 2vgg s ASP 450 Ca 0.00 0.57 0.31 0.00 0.43 0.00 0.00 52.55 53.86 2vgg s ASP 450 Cb 0.00 -2.44 1.42 0.00 -0.30 0.00 0.00 42.92 41.60 2vgg s ASP 450 CO 0.00 -0.79 1.66 -0.65 -0.17 0.00 0.00 175.17 175.22 2vgg h PRO 451 N 8.39 0.11 -0.07 4.34 0.11 -1.94 0.17 132.00 143.12 2vgg h PRO 451 Ca -0.24 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 2vgg h PRO 451 Cb 1.08 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2vgg h PRO 451 CO 0.95 0.08 0.01 1.15 -0.21 0.00 0.00 178.00 179.98 2vgg h THR 452 N 0.12 1.20 -0.74 -1.15 2.02 -1.91 0.02 112.91 112.48 2vgg h THR 452 Ca 0.77 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 2vgg h THR 452 Cb 2.51 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 70.37 2vgg h THR 452 CO -0.31 0.17 0.45 -0.33 0.37 0.00 0.00 175.52 175.88 2vgg h GLU 453 N -0.12 1.00 -0.34 6.66 5.08 -1.06 -0.88 114.58 124.92 2vgg h GLU 453 Ca 0.02 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2vgg h GLU 453 Cb 0.26 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2vgg h GLU 453 CO 0.00 0.71 0.03 0.28 -1.00 0.00 0.00 179.01 179.02 2vgg h VAL 454 N 1.01 0.78 -0.66 3.13 2.07 -1.09 0.80 116.25 122.29 2vgg h VAL 454 Ca 0.27 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 2vgg h VAL 454 Cb -0.04 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2vgg h VAL 454 CO -0.05 0.02 0.21 0.74 0.02 0.00 0.00 177.57 178.51 2vgg h THR 455 N 0.13 1.24 0.67 2.57 2.02 -0.75 -1.72 112.91 117.08 2vgg h THR 455 Ca 0.17 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 2vgg h THR 455 Cb 0.21 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2vgg h THR 455 CO -0.26 0.33 -0.32 0.00 0.37 0.00 0.00 175.52 175.64 2vgg h ALA 456 N 1.25 -0.91 -0.95 6.16 0.00 0.34 0.49 119.26 125.65 2vgg h ALA 456 Ca 0.22 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2vgg h ALA 456 Cb 0.27 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2vgg h ALA 456 CO -0.01 -0.89 0.62 0.97 0.00 0.00 0.00 179.25 179.93 2vgg h ILE 457 N -1.13 1.15 -0.65 0.00 2.10 -0.96 0.92 117.51 118.93 2vgg h ILE 457 Ca -0.09 -0.41 0.12 0.00 1.08 0.00 0.00 64.86 65.56 2vgg h ILE 457 Cb 0.73 -0.14 -0.09 0.00 -1.09 0.00 0.00 36.82 36.23 2vgg h ILE 457 CO 0.15 0.22 0.18 1.23 -1.08 0.00 0.00 178.15 178.85 2vgg h GLY 458 N 1.19 0.90 0.95 8.18 0.00 -0.84 -0.88 103.07 112.57 2vgg h GLY 458 Ca 0.38 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 2vgg h GLY 458 CO -0.13 -0.11 0.10 0.00 0.00 0.00 0.00 176.54 176.41 2vgg h ALA 459 N 1.51 0.58 0.23 3.60 0.00 0.23 -1.72 119.26 123.69 2vgg h ALA 459 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2vgg h ALA 459 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2vgg h ALA 459 CO -0.41 0.27 -0.20 0.28 0.00 0.00 0.00 179.25 179.19 2vgg h VAL 460 N 0.58 0.56 -0.56 0.00 2.07 -0.55 0.44 116.25 118.79 2vgg h VAL 460 Ca 0.14 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.77 2vgg h VAL 460 Cb 0.33 0.56 -0.11 0.00 -1.52 0.00 0.00 31.29 30.54 2vgg h VAL 460 CO 0.00 0.00 -0.25 -0.08 0.02 0.00 0.00 177.57 177.26 2vgg h GLU 461 N -0.46 -0.11 -0.87 1.57 4.57 -1.09 -0.11 114.58 118.08 2vgg h GLU 461 Ca -0.01 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2vgg h GLU 461 Cb 0.42 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 2vgg h GLU 461 CO -0.03 -0.07 0.48 0.00 -1.18 0.00 0.00 179.01 178.20 2vgg h ALA 462 N 1.23 1.20 -0.09 2.92 0.00 -0.78 -1.77 119.26 121.97 2vgg h ALA 462 Ca 0.25 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2vgg h ALA 462 Cb 0.51 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2vgg h ALA 462 CO -0.63 0.65 -0.26 0.00 0.00 0.00 0.00 179.25 179.00 2vgg h ALA 463 N 1.30 -0.29 -1.00 0.00 0.00 0.36 -1.49 119.26 118.15 2vgg h ALA 463 Ca 0.31 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.30 2vgg h ALA 463 Cb 0.03 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2vgg h ALA 463 CO -0.05 -0.74 0.64 0.74 0.00 0.00 0.00 179.25 179.85 2vgg h PHE 464 N -0.35 1.20 0.00 0.00 -1.00 -0.44 -1.55 116.94 114.80 2vgg h PHE 464 Ca 0.09 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 2vgg h PHE 464 Cb 0.48 -0.40 -0.00 0.00 3.61 0.00 0.00 35.95 39.65 2vgg h PHE 464 CO -0.34 0.64 -0.00 -0.22 -1.61 0.00 0.00 178.31 176.78 2vgg h LYS 465 N 1.20 0.00 0.00 1.51 1.63 -0.43 -2.76 116.57 117.72 2vgg h LYS 465 Ca 0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 2vgg h LYS 465 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2vgg h LYS 465 CO -0.16 0.00 -0.05 0.00 -3.45 0.00 0.00 179.45 175.80 2vgg n ALA 468 N -4.68 -2.89 0.16 0.00 0.00 -0.66 -4.83 120.51 107.61 2vgg n ALA 468 Ca -0.04 0.48 0.01 0.00 0.00 0.00 0.00 53.44 53.89 2vgg n ALA 468 Cb 0.57 -1.68 0.26 0.00 0.00 0.00 0.00 19.45 18.60 2vgg n ALA 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vgg h ALA 469 N 1.67 1.08 -1.50 0.00 0.00 -1.70 -3.40 119.26 115.41 2vgg h ALA 469 Ca -0.35 -0.45 0.29 0.00 0.00 0.00 0.00 54.91 54.39 2vgg h ALA 469 Cb 1.43 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.99 2vgg h ALA 469 CO 0.60 0.62 0.81 0.00 0.00 0.00 0.00 179.25 181.28 2vgg s ALA 470 N -3.75 -2.14 -0.12 0.00 0.00 -1.26 -3.59 121.76 110.91 2vgg s ALA 470 Ca -0.01 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.08 2vgg s ALA 470 Cb 0.13 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.40 2vgg s ALA 470 CO 0.73 -0.83 -0.21 0.42 0.00 0.00 0.00 175.76 175.87 2vgg s ILE 471 N -2.46 1.94 -0.49 0.00 1.01 0.20 -1.70 121.20 119.70 2vgg s ILE 471 Ca 0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 2vgg s ILE 471 Cb 0.02 -1.71 0.13 0.00 0.01 0.00 0.00 42.46 40.91 2vgg s ILE 471 CO -0.04 0.53 0.30 -0.63 0.00 0.00 0.00 174.94 175.10 2vgg s ILE 472 N 0.67 3.53 0.13 2.92 1.01 -0.16 0.21 121.20 129.50 2vgg s ILE 472 Ca -0.11 -2.34 -0.16 0.00 0.00 0.00 0.00 60.65 58.03 2vgg s ILE 472 Cb -0.16 -3.37 -0.07 0.00 0.01 0.00 0.00 42.46 38.87 2vgg s ILE 472 CO 0.02 -0.76 0.57 0.68 0.00 0.00 0.00 174.94 175.45 2vgg s VAL 473 N 0.75 4.79 -0.30 2.92 -7.23 -0.48 -2.29 120.40 118.56 2vgg s VAL 473 Ca 0.11 1.00 -0.16 0.00 -1.81 0.00 0.00 61.98 61.12 2vgg s VAL 473 Cb -0.22 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 32.90 2vgg s VAL 473 CO -0.04 0.35 0.43 -0.76 -0.31 0.00 0.00 175.10 174.77 2vgg s LEU 474 N -1.67 4.20 -0.01 1.32 1.02 -0.89 -0.59 118.68 122.05 2vgg s LEU 474 Ca 0.35 0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.66 2vgg s LEU 474 Cb -0.17 -2.48 -0.00 0.00 0.02 0.00 0.00 46.19 43.56 2vgg s LEU 474 CO 0.19 -0.31 -0.07 0.28 0.02 0.00 0.00 176.35 176.46 2vgg s THR 475 N 2.18 0.58 -0.07 5.49 -1.32 -0.05 -4.83 115.64 117.62 2vgg s THR 475 Ca 0.16 -0.28 -0.08 0.00 -1.21 0.00 0.00 61.69 60.28 2vgg s THR 475 Cb -0.16 -0.51 -0.29 0.00 -1.51 0.00 0.00 72.50 70.03 2vgg s THR 475 CO 0.11 0.18 0.58 0.74 -2.21 0.00 0.00 174.62 174.02 2vgg h THR 476 N 5.21 0.84 0.00 5.08 2.02 -1.88 -3.37 112.91 120.81 2vgg h THR 476 Ca -0.31 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.38 2vgg h THR 476 Cb 1.18 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 2vgg h THR 476 CO 0.49 0.86 0.00 0.35 0.37 0.00 0.00 175.52 177.59 2vgg n THR 477 N -3.52 0.79 0.00 3.16 -2.24 -1.26 -4.57 114.28 106.64 2vgg n THR 477 Ca -0.26 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 2vgg n THR 477 Cb 1.06 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 2vgg n THR 477 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vgg n GLY 478 N -0.39 3.12 0.39 3.38 0.00 -1.26 -4.90 105.19 105.52 2vgg n GLY 478 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2vgg n GLY 478 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2vgg h HIS 479 N 0.00 0.77 -0.43 1.61 -0.00 -1.94 0.61 115.15 115.77 2vgg h HIS 479 Ca 0.00 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.26 2vgg h HIS 479 Cb 0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 2vgg h HIS 479 CO 0.00 0.15 -0.25 0.77 -0.00 0.00 0.00 177.93 178.59 2vgg h SER 480 N 0.53 0.93 -0.70 3.26 0.02 -1.92 -2.41 113.55 113.26 2vgg h SER 480 Ca 0.55 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2vgg h SER 480 Cb 1.19 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 2vgg h SER 480 CO -0.29 1.13 0.33 0.00 -1.14 0.00 0.00 176.83 176.85 2vgg h ALA 481 N 0.94 0.90 -0.24 3.77 0.00 -1.33 -2.41 119.26 120.89 2vgg h ALA 481 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2vgg h ALA 481 Cb 0.81 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2vgg h ALA 481 CO 0.07 0.47 0.15 0.37 0.00 0.00 0.00 179.25 180.30 2vgg h GLN 482 N 0.97 0.32 -0.56 0.00 4.15 -0.99 -1.37 115.11 117.62 2vgg h GLN 482 Ca 0.24 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.73 2vgg h GLN 482 Cb 0.12 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.67 2vgg h GLN 482 CO -0.03 0.24 0.15 -0.07 -1.93 0.00 0.00 178.83 177.19 2vgg h LEU 483 N 0.30 0.09 -0.24 -2.39 3.38 -1.30 -0.20 115.31 114.95 2vgg h LEU 483 Ca 0.09 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.19 2vgg h LEU 483 Cb 0.00 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2vgg h LEU 483 CO -0.02 0.06 -0.07 -0.07 0.09 0.00 0.00 178.44 178.44 2vgg h LEU 484 N 0.30 -0.25 -1.08 1.67 3.38 -0.84 -3.02 115.31 115.47 2vgg h LEU 484 Ca 0.29 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 2vgg h LEU 484 Cb 0.38 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2vgg h LEU 484 CO -0.33 -0.09 -0.20 0.77 0.09 0.00 0.00 178.44 178.67 2vgg h SER 485 N -0.02 0.41 -0.62 -0.43 4.64 -0.21 -1.85 113.55 115.47 2vgg h SER 485 Ca 0.12 -0.12 0.19 0.00 -0.47 0.00 0.00 61.79 61.50 2vgg h SER 485 Cb 0.19 -0.11 -0.12 0.00 -0.31 0.00 0.00 62.40 62.06 2vgg h SER 485 CO -0.25 0.62 0.07 -1.14 -0.87 0.00 0.00 176.83 175.26 2vgg n ARG 486 N -4.17 -0.05 -0.16 4.77 0.63 -0.19 0.97 116.66 118.46 2vgg n ARG 486 Ca -0.00 0.92 0.10 0.00 -0.92 0.00 0.00 57.85 57.94 2vgg n ARG 486 Cb 0.36 -1.49 0.28 0.00 0.45 0.00 0.00 32.46 32.06 2vgg n ARG 486 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2vgg n TYR 487 N -4.73 0.42 -3.45 -0.14 4.02 -0.70 -4.93 117.16 107.66 2vgg n TYR 487 Ca 0.16 -0.21 -0.19 0.00 -0.01 0.00 0.00 57.90 57.65 2vgg n TYR 487 Cb 0.54 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.92 2vgg n TYR 487 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2vgg n ARG 488 N 0.81 -3.70 -0.60 -0.72 5.12 0.27 -4.71 116.66 113.13 2vgg n ARG 488 Ca 0.17 0.75 -0.30 0.00 -1.93 0.00 0.00 57.85 56.54 2vgg n ARG 488 Cb 0.43 -5.45 0.20 0.00 -1.16 0.00 0.00 32.46 26.47 2vgg n ARG 488 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2vgg n PRO 489 N -3.80 -1.31 -0.03 5.56 -0.02 -1.26 -4.89 135.00 129.24 2vgg n PRO 489 Ca -0.17 -0.33 -0.06 0.00 -2.02 0.00 0.00 63.50 60.92 2vgg n PRO 489 Cb 0.64 -2.22 -0.13 0.00 -0.02 0.00 0.00 33.50 31.76 2vgg n PRO 489 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2vgg n ARG 490 N -4.25 0.65 -2.27 -0.52 0.63 -1.26 -4.87 116.66 104.76 2vgg n ARG 490 Ca 0.08 0.15 -0.36 0.00 -0.92 0.00 0.00 57.85 56.79 2vgg n ARG 490 Cb 0.53 -1.70 -0.01 0.00 0.45 0.00 0.00 32.46 31.74 2vgg n ARG 490 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2vgg s ALA 491 N -2.71 2.87 0.44 5.13 0.00 -1.26 -4.97 121.76 121.26 2vgg s ALA 491 Ca -0.06 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 52.54 2vgg s ALA 491 Cb 0.08 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 2vgg s ALA 491 CO 0.83 -0.68 1.29 0.00 0.00 0.00 0.00 175.76 177.19 2vgg s ALA 492 N -1.64 3.14 -0.50 0.00 0.00 -1.24 -4.70 121.76 116.82 2vgg s ALA 492 Ca 0.67 1.19 -0.14 0.00 0.00 0.00 0.00 51.96 53.68 2vgg s ALA 492 Cb -0.27 -3.48 0.11 0.00 0.00 0.00 0.00 23.12 19.49 2vgg s ALA 492 CO 0.31 -0.88 0.42 0.08 0.00 0.00 0.00 175.76 175.70 2vgg s VAL 493 N -1.32 4.90 -0.50 0.00 1.01 -0.67 0.60 120.40 124.41 2vgg s VAL 493 Ca 0.60 -1.48 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 2vgg s VAL 493 Cb -0.37 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 31.95 2vgg s VAL 493 CO 0.46 -0.76 0.80 -0.63 0.00 0.00 0.00 175.10 174.97 2vgg s ILE 494 N 1.54 4.61 -0.29 2.22 1.01 0.13 -0.86 121.20 129.55 2vgg s ILE 494 Ca 0.04 0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.68 2vgg s ILE 494 Cb -0.27 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.77 2vgg s ILE 494 CO 0.03 -0.89 0.37 0.00 0.00 0.00 0.00 174.94 174.45 2vgg s ALA 495 N 3.37 3.54 -0.17 9.38 0.00 -0.64 -1.39 121.76 135.85 2vgg s ALA 495 Ca 0.26 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 2vgg s ALA 495 Cb -0.14 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 2vgg s ALA 495 CO 0.19 -0.80 0.12 0.08 0.00 0.00 0.00 175.76 175.35 2vgg s VAL 496 N 2.07 5.34 -0.06 0.00 1.01 0.24 -1.14 120.40 127.86 2vgg s VAL 496 Ca 0.14 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 2vgg s VAL 496 Cb -0.16 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.87 2vgg s VAL 496 CO 0.11 0.50 0.45 0.28 0.00 0.00 0.00 175.10 176.44 2vgg s THR 497 N -0.10 0.03 -0.85 3.92 -1.32 -0.72 -0.88 115.64 115.73 2vgg s THR 497 Ca 0.10 -0.24 0.25 0.00 -1.21 0.00 0.00 61.69 60.59 2vgg s THR 497 Cb -0.11 -0.74 0.08 0.00 -1.51 0.00 0.00 72.50 70.22 2vgg s THR 497 CO 0.00 -0.13 1.49 0.54 -2.21 0.00 0.00 174.62 174.31 2vgg n ARG 498 N 1.49 0.13 -2.81 7.08 1.74 -1.26 -0.55 116.66 122.48 2vgg n ARG 498 Ca -0.19 0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.51 2vgg n ARG 498 Cb 0.56 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 2vgg n ARG 498 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2vgg s SER 499 N -3.56 6.26 0.31 0.55 0.15 -1.26 -4.80 113.70 111.35 2vgg s SER 499 Ca 0.10 -0.58 0.07 0.00 0.70 0.00 0.00 55.95 56.24 2vgg s SER 499 Cb 0.16 -2.44 0.83 0.00 -1.71 0.00 0.00 66.02 62.85 2vgg s SER 499 CO 0.67 -1.37 1.70 0.00 1.20 0.00 0.00 173.24 175.45 2vgg h ALA 500 N 9.47 1.61 -0.35 5.45 0.00 -1.95 0.29 119.26 133.79 2vgg h ALA 500 Ca -0.27 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2vgg h ALA 500 Cb 1.07 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2vgg h ALA 500 CO 1.14 -0.35 -0.00 0.37 0.00 0.00 0.00 179.25 180.40 2vgg h GLN 501 N 0.44 0.63 -0.01 0.00 4.15 -1.98 -2.61 115.11 115.72 2vgg h GLN 501 Ca 0.61 -0.20 0.02 0.00 0.77 0.00 0.00 58.65 59.85 2vgg h GLN 501 Cb 1.20 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 2vgg h GLN 501 CO -0.53 0.74 -0.09 0.00 -1.93 0.00 0.00 178.83 177.02 2vgg h ALA 502 N 0.86 -0.09 -0.07 3.38 0.00 -1.64 0.32 119.26 122.02 2vgg h ALA 502 Ca 0.10 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2vgg h ALA 502 Cb 0.46 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2vgg h ALA 502 CO 0.02 -0.58 0.31 0.00 0.00 0.00 0.00 179.25 179.00 2vgg h ALA 503 N 0.83 1.45 0.05 0.00 0.00 -0.77 -0.99 119.26 119.83 2vgg h ALA 503 Ca 0.04 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 2vgg h ALA 503 Cb 0.21 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2vgg h ALA 503 CO -0.10 -0.35 -1.21 0.00 0.00 0.00 0.00 179.25 177.58 2vgg h ARG 504 N 0.00 0.10 0.00 0.00 3.08 -0.16 -3.37 114.38 114.03 2vgg h ARG 504 Ca 0.04 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2vgg h ARG 504 Cb 0.66 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2vgg h ARG 504 CO -0.00 1.08 -0.13 1.96 -1.07 0.00 0.00 179.97 181.81 2vgg h GLN 505 N -0.68 0.00 0.00 0.04 4.20 0.66 -2.54 115.11 116.79 2vgg h GLN 505 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2vgg h GLN 505 Cb 1.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.26 2vgg h GLN 505 CO -0.07 0.13 0.00 0.28 -0.67 0.00 0.00 178.83 178.50 2vgg h VAL 506 N 0.00 0.00 0.00 -0.54 2.07 -1.46 -1.83 116.25 114.49 2vgg h VAL 506 Ca -0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2vgg h VAL 506 Cb 0.47 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2vgg h VAL 506 CO 0.02 0.00 0.00 0.45 0.02 0.00 0.00 177.57 178.06 2vgg h HIS 507 N 0.00 0.00 0.00 1.57 3.86 -1.67 0.74 115.15 119.65 2vgg h HIS 507 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2vgg h HIS 507 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2vgg h HIS 507 CO 0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 2vgg n LEU 508 N -2.39 0.00 -4.09 2.43 4.32 -0.69 -4.49 117.00 112.09 2vgg n LEU 508 Ca -0.02 0.28 -0.32 0.00 -0.02 0.00 0.00 56.01 55.93 2vgg n LEU 508 Cb 0.04 -0.28 -0.15 0.00 -1.62 0.00 0.00 43.42 41.41 2vgg n LEU 508 CO 0.11 -0.16 -0.47 0.00 -1.22 0.00 0.00 177.39 175.66 2vgg n ARG 510 N 4.49 1.03 -0.99 0.00 0.63 -1.26 -1.66 116.66 118.90 2vgg n ARG 510 Ca -0.16 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 2vgg n ARG 510 Cb 0.44 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.59 2vgg n ARG 510 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2vgg n GLY 511 N 1.77 0.84 3.87 5.14 0.00 -0.82 -4.74 105.19 111.25 2vgg n GLY 511 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2vgg n GLY 511 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vgg s VAL 512 N -3.34 5.14 -0.21 1.61 1.01 -0.67 -1.67 120.40 122.28 2vgg s VAL 512 Ca 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 2vgg s VAL 512 Cb 0.00 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.81 2vgg s VAL 512 CO 0.00 0.28 0.03 -0.36 0.00 0.00 0.00 175.10 175.05 2vgg s PHE 513 N -1.40 1.26 0.34 5.22 0.40 -0.04 -4.86 117.98 118.91 2vgg s PHE 513 Ca 0.33 -1.04 -0.20 0.00 -0.60 0.00 0.00 56.93 55.41 2vgg s PHE 513 Cb -0.14 -1.15 -0.10 0.00 0.51 0.00 0.00 43.02 42.15 2vgg s PHE 513 CO 0.18 -0.65 0.85 -1.25 0.70 0.00 0.00 175.22 175.05 2vgg s PRO 514 N 1.78 4.23 -0.08 0.24 0.05 -1.26 -1.63 135.00 138.33 2vgg s PRO 514 Ca -0.01 0.98 0.01 0.00 0.05 0.00 0.00 61.00 62.03 2vgg s PRO 514 Cb -0.17 -2.49 0.02 0.00 0.05 0.00 0.00 34.50 31.91 2vgg s PRO 514 CO -0.09 0.16 -0.08 -0.51 0.05 0.00 0.00 177.00 176.53 2vgg s LEU 515 N -2.70 1.29 -0.17 -3.56 1.43 -0.29 -4.81 118.68 109.86 2vgg s LEU 515 Ca 0.54 -0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 53.19 2vgg s LEU 515 Cb -0.12 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 2vgg s LEU 515 CO 0.18 -0.07 0.61 -0.22 0.23 0.00 0.00 176.35 177.08 2vgg s LEU 516 N 1.26 4.18 -0.24 1.79 2.96 -1.26 -1.75 118.68 125.63 2vgg s LEU 516 Ca -0.04 0.87 -0.10 0.00 -0.22 0.00 0.00 54.13 54.64 2vgg s LEU 516 Cb -0.14 -2.88 -0.05 0.00 0.50 0.00 0.00 46.19 43.63 2vgg s LEU 516 CO -0.03 -0.21 0.15 -0.47 -1.32 0.00 0.00 176.35 174.47 2vgg s TYR 517 N 1.58 3.27 -0.23 5.38 5.04 0.29 -4.94 117.35 127.74 2vgg s TYR 517 Ca 0.29 0.12 0.03 0.00 -2.44 0.00 0.00 57.07 55.08 2vgg s TYR 517 Cb -0.16 -2.27 -0.20 0.00 0.35 0.00 0.00 41.96 39.69 2vgg s TYR 517 CO 0.11 -0.01 -0.09 0.54 -1.34 0.00 0.00 175.55 174.76 2vgg n ARG 518 N 4.43 0.67 -1.37 4.97 1.74 -1.26 -4.35 116.66 121.49 2vgg n ARG 518 Ca -0.15 0.15 -0.38 0.00 -0.77 0.00 0.00 57.85 56.69 2vgg n ARG 518 Cb 0.52 -1.55 0.03 0.00 -1.02 0.00 0.00 32.46 30.44 2vgg n ARG 518 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2vgg n GLU 519 N -3.21 0.31 -2.29 5.56 -0.58 -1.26 -4.96 120.64 114.21 2vgg n GLU 519 Ca -0.42 0.12 -0.33 0.00 -0.42 0.00 0.00 57.16 56.12 2vgg n GLU 519 Cb 1.02 -1.45 -0.02 0.00 -0.57 0.00 0.00 31.44 30.42 2vgg n GLU 519 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2vgg s PRO 520 N -1.75 3.66 0.59 3.49 0.05 -1.26 -5.00 135.00 134.78 2vgg s PRO 520 Ca 0.64 1.15 -0.20 0.00 0.05 0.00 0.00 61.00 62.64 2vgg s PRO 520 Cb -0.45 -2.09 -0.03 0.00 0.05 0.00 0.00 34.50 31.98 2vgg s PRO 520 CO 0.59 -0.52 1.31 -2.30 0.05 0.00 0.00 177.00 176.12 2vgg n PRO 521 N -1.61 1.41 -1.71 0.56 -0.02 -1.26 -5.00 135.00 127.37 2vgg n PRO 521 Ca 0.08 0.53 -0.31 0.00 -2.02 0.00 0.00 63.50 61.79 2vgg n PRO 521 Cb 0.53 -2.53 0.05 0.00 -0.02 0.00 0.00 33.50 31.53 2vgg n PRO 521 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2vgg s GLU 522 N -3.07 2.92 0.02 -0.52 0.41 -1.26 -5.01 118.70 112.19 2vgg s GLU 522 Ca 0.76 0.74 -0.27 0.00 -0.41 0.00 0.00 54.97 55.79 2vgg s GLU 522 Cb -0.40 -2.00 -0.15 0.00 -1.78 0.00 0.00 34.13 29.79 2vgg s GLU 522 CO 0.45 -1.05 1.16 0.00 -0.49 0.00 0.00 175.26 175.33 2vgg h ALA 523 N -0.68 -0.90 -2.34 5.21 0.00 -2.00 -3.42 119.26 115.13 2vgg h ALA 523 Ca -0.45 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 53.71 2vgg h ALA 523 Cb 1.22 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2vgg h ALA 523 CO 0.60 -0.87 0.78 0.42 0.00 0.00 0.00 179.25 180.19 2vgg s ILE 524 N -4.78 3.96 0.00 0.00 1.01 -1.26 -5.00 121.20 115.12 2vgg s ILE 524 Ca -0.14 1.31 0.00 0.00 0.00 0.00 0.00 60.65 61.81 2vgg s ILE 524 Cb 0.02 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2vgg s ILE 524 CO 0.45 -0.01 0.04 1.87 0.00 0.00 0.00 174.94 177.30 2vgg n TRP 525 N 5.35 0.00 0.00 3.97 -0.00 -1.26 -2.84 117.44 122.65 2vgg n TRP 525 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.62 2vgg n TRP 525 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.76 2vgg n TRP 525 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2vgg n ALA 526 N -2.79 0.00 -0.32 5.87 0.00 -1.26 0.49 120.51 122.49 2vgg n ALA 526 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 2vgg n ALA 526 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 2vgg n ALA 526 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2vgg h ASP 527 N 0.00 0.07 -0.70 0.00 3.32 -1.97 0.67 116.42 117.80 2vgg h ASP 527 Ca 0.00 0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2vgg h ASP 527 Cb 0.00 0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 2vgg h ASP 527 CO 0.00 -0.26 0.36 -0.78 -1.72 0.00 0.00 179.24 176.85 2vgg h ASP 528 N 0.14 0.90 0.63 6.45 3.58 1.14 0.17 116.42 129.43 2vgg h ASP 528 Ca 0.66 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.97 2vgg h ASP 528 Cb 1.50 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 42.32 2vgg h ASP 528 CO -0.73 0.76 -0.30 0.58 -2.88 0.00 0.00 179.24 176.66 2vgg h VAL 529 N 0.97 0.38 -0.64 2.25 2.07 0.35 -2.18 116.25 119.45 2vgg h VAL 529 Ca 0.24 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.87 2vgg h VAL 529 Cb 0.08 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 2vgg h VAL 529 CO -0.04 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.17 2vgg h ASP 530 N -0.86 0.08 -0.61 0.57 3.32 -0.09 0.38 116.42 119.21 2vgg h ASP 530 Ca -0.09 0.11 0.09 0.00 0.02 0.00 0.00 57.03 57.16 2vgg h ASP 530 Cb 0.65 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.27 2vgg h ASP 530 CO 0.14 0.04 0.24 0.03 -1.72 0.00 0.00 179.24 177.97 2vgg h ARG 531 N 0.31 0.41 -0.18 3.56 2.47 -0.53 -0.03 114.38 120.40 2vgg h ARG 531 Ca 0.34 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 59.01 2vgg h ARG 531 Cb 0.50 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2vgg h ARG 531 CO -0.40 0.27 0.03 0.00 0.56 0.00 0.00 179.97 180.43 2vgg h ARG 532 N 0.43 0.29 0.39 0.04 3.08 -0.35 0.54 114.38 118.79 2vgg h ARG 532 Ca 0.30 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 2vgg h ARG 532 Cb 0.36 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2vgg h ARG 532 CO -0.29 0.46 -0.33 0.28 -1.07 0.00 0.00 179.97 179.01 2vgg h VAL 533 N 0.09 0.00 -1.05 2.04 2.07 -0.73 0.22 116.25 118.88 2vgg h VAL 533 Ca 0.05 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.85 2vgg h VAL 533 Cb 0.30 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.97 2vgg h VAL 533 CO 0.00 0.00 0.67 1.56 0.02 0.00 0.00 177.57 179.82 2vgg h GLN 534 N -0.70 0.39 0.07 1.57 7.50 -0.97 0.90 115.11 123.86 2vgg h GLN 534 Ca -0.05 -0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.09 2vgg h GLN 534 Cb 0.59 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 28.01 2vgg h GLN 534 CO -0.01 0.26 -0.17 0.35 -1.50 0.00 0.00 178.83 177.76 2vgg h PHE 535 N 0.40 -0.44 -0.40 2.96 3.57 0.12 -0.90 116.94 122.25 2vgg h PHE 535 Ca 0.62 0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.20 2vgg h PHE 535 Cb 1.54 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 40.42 2vgg h PHE 535 CO -0.00 -0.25 0.08 0.78 -2.23 0.00 0.00 178.31 176.69 2vgg h GLY 536 N -0.31 0.47 0.44 2.40 0.00 0.40 -1.47 103.07 105.00 2vgg h GLY 536 Ca 0.03 -0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.41 2vgg h GLY 536 CO -0.12 -0.03 0.15 -2.22 0.00 0.00 0.00 176.54 174.32 2vgg h ILE 537 N 0.22 0.78 -0.03 2.60 2.04 -0.91 0.26 117.51 122.45 2vgg h ILE 537 Ca 0.19 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 2vgg h ILE 537 Cb 0.22 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2vgg h ILE 537 CO -0.25 0.06 0.00 -0.08 0.00 0.00 0.00 178.15 177.88 2vgg h GLU 538 N 0.30 0.05 -0.04 2.37 4.81 -0.59 0.14 114.58 121.62 2vgg h GLU 538 Ca 0.25 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2vgg h GLU 538 Cb 0.30 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 2vgg h GLU 538 CO -0.28 0.29 0.03 0.77 -0.73 0.00 0.00 179.01 179.09 2vgg h SER 539 N -0.20 0.00 0.57 1.04 0.02 -1.06 -1.49 113.55 112.44 2vgg h SER 539 Ca 0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2vgg h SER 539 Cb 0.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.81 2vgg h SER 539 CO 0.00 0.00 -0.28 1.23 -1.14 0.00 0.00 176.83 176.64 2vgg h GLY 540 N 0.00 -0.80 0.85 -3.77 0.00 0.82 -2.07 103.07 98.09 2vgg h GLY 540 Ca 0.02 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 2vgg h GLY 540 CO -0.00 -0.29 -0.25 0.50 0.00 0.00 0.00 176.54 176.50 2vgg h LYS 541 N -0.94 -0.58 -0.91 4.80 1.57 -0.41 -1.56 116.57 118.55 2vgg h LYS 541 Ca -0.08 0.04 0.25 0.00 -1.87 0.00 0.00 60.65 58.99 2vgg h LYS 541 Cb 0.64 0.13 -0.14 0.00 0.08 0.00 0.00 32.23 32.95 2vgg h LYS 541 CO 0.13 -0.39 0.35 1.25 -0.57 0.00 0.00 179.45 180.22 2vgg h LEU 542 N -0.60 0.20 -1.08 2.94 6.46 -1.31 0.26 115.31 122.18 2vgg h LEU 542 Ca -0.04 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2vgg h LEU 542 Cb 0.51 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2vgg h LEU 542 CO 0.02 -0.10 0.00 0.54 -0.62 0.00 0.00 178.44 178.28 2vgg n ARG 543 N -5.14 1.74 -2.39 1.25 1.74 -0.78 -4.94 116.66 108.14 2vgg n ARG 543 Ca 0.23 -1.08 -0.04 0.00 -0.77 0.00 0.00 57.85 56.20 2vgg n ARG 543 Cb 0.73 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.71 2vgg n ARG 543 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vgg n GLY 544 N 1.19 0.44 0.13 -0.13 0.00 0.91 -4.95 105.19 102.78 2vgg n GLY 544 Ca 0.18 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 2vgg n GLY 544 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2vgg h PHE 545 N -0.25 0.55 -3.86 1.61 0.05 -1.52 -3.48 116.94 110.04 2vgg h PHE 545 Ca -0.10 -0.40 -0.29 0.00 3.82 0.00 0.00 57.97 61.00 2vgg h PHE 545 Cb 1.07 -0.02 -0.28 0.00 2.00 0.00 0.00 35.95 38.72 2vgg h PHE 545 CO 0.10 1.59 -0.74 -0.48 -0.18 0.00 0.00 178.31 178.60 2vgg s LEU 546 N -7.08 2.03 0.18 1.54 2.34 -1.23 -4.83 118.68 111.63 2vgg s LEU 546 Ca -0.15 -0.11 0.08 0.00 0.06 0.00 0.00 54.13 54.01 2vgg s LEU 546 Cb 0.06 -0.17 -0.04 0.00 -0.56 0.00 0.00 46.19 45.48 2vgg s LEU 546 CO 0.83 0.02 -0.16 -0.13 -1.06 0.00 0.00 176.35 175.85 2vgg s ARG 547 N -0.22 1.27 0.28 1.48 1.81 -1.26 -4.00 118.95 118.31 2vgg s ARG 547 Ca 0.00 -1.48 -0.24 0.00 -1.72 0.00 0.00 55.73 52.29 2vgg s ARG 547 Cb -0.02 -1.17 -0.16 0.00 -0.45 0.00 0.00 34.95 33.15 2vgg s ARG 547 CO -0.00 0.21 0.32 0.28 -0.68 0.00 0.00 175.30 175.43 2vgg n VAL 548 N -0.01 1.36 0.00 3.52 0.31 -1.26 -1.74 118.33 120.50 2vgg n VAL 548 Ca -0.11 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2vgg n VAL 548 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 2vgg n VAL 548 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vgg n GLY 549 N 2.11 2.82 3.64 2.92 0.00 -1.26 -5.01 105.19 110.41 2vgg n GLY 549 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2vgg n GLY 549 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vgg n ASP 550 N 0.40 0.34 -4.73 1.61 8.00 -0.71 -4.64 116.55 116.81 2vgg n ASP 550 Ca 0.00 0.50 -0.30 0.00 0.71 0.00 0.00 54.79 55.70 2vgg n ASP 550 Cb 0.00 -1.45 -0.07 0.00 -0.02 0.00 0.00 41.12 39.58 2vgg n ASP 550 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2vgg s LEU 551 N -5.28 3.61 0.03 0.64 1.43 -1.26 0.36 118.68 118.20 2vgg s LEU 551 Ca 0.69 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 2vgg s LEU 551 Cb -0.26 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 2vgg s LEU 551 CO 0.56 0.16 -0.05 0.54 0.23 0.00 0.00 176.35 177.78 2vgg s VAL 552 N -1.40 0.36 -0.22 -1.59 0.11 0.13 -1.88 120.40 115.92 2vgg s VAL 552 Ca 0.28 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.42 2vgg s VAL 552 Cb -0.12 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2vgg s VAL 552 CO 0.20 -0.32 0.06 -0.63 -3.33 0.00 0.00 175.10 171.09 2vgg s ILE 553 N -1.12 4.50 -0.20 7.04 -1.09 -0.69 -1.59 121.20 128.05 2vgg s ILE 553 Ca -0.09 -0.12 -0.07 0.00 -2.23 0.00 0.00 60.65 58.14 2vgg s ILE 553 Cb -0.08 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 2vgg s ILE 553 CO -0.00 0.39 0.04 -0.69 -1.23 0.00 0.00 174.94 173.46 2vgg s VAL 554 N 1.04 4.45 -0.14 2.92 1.01 -0.49 -0.99 120.40 128.20 2vgg s VAL 554 Ca 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 2vgg s VAL 554 Cb -0.14 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2vgg s VAL 554 CO 0.03 0.43 -0.14 -0.69 0.00 0.00 0.00 175.10 174.73 2vgg s VAL 555 N 0.76 2.94 0.00 2.92 1.01 -0.97 -1.09 120.40 125.96 2vgg s VAL 555 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2vgg s VAL 555 Cb -0.14 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.01 2vgg s VAL 555 CO 0.02 0.52 0.00 0.35 0.00 0.00 0.00 175.10 175.99 2vgg n THR 556 N 3.71 0.00 -4.28 3.92 -2.24 -1.03 -2.09 114.28 112.27 2vgg n THR 556 Ca -0.18 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 2vgg n THR 556 Cb 0.52 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 2vgg n THR 556 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2vgg s GLY 557 N -0.90 1.19 0.38 3.38 0.00 -1.26 -0.89 107.32 109.21 2vgg s GLY 557 Ca 0.00 -1.44 0.20 0.00 0.00 0.00 0.00 44.72 43.48 2vgg s GLY 557 CO 0.00 -1.52 1.58 0.11 0.00 0.00 0.00 173.10 173.26 2vgg h TRP 558 N 3.09 0.00 -3.73 1.90 5.08 -1.92 -3.46 115.95 116.91 2vgg h TRP 558 Ca -0.39 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.50 2vgg h TRP 558 Cb 1.20 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 27.23 2vgg h TRP 558 CO 0.67 0.21 -0.30 -0.98 -1.28 0.00 0.00 178.44 176.76 2vgg s ARG 559 N -3.16 0.93 0.71 0.12 1.04 -1.26 -5.09 118.95 112.25 2vgg s ARG 559 Ca 0.05 -0.94 -0.12 0.00 -1.04 0.00 0.00 55.73 53.68 2vgg s ARG 559 Cb 0.07 0.37 0.03 0.00 -2.04 0.00 0.00 34.95 33.37 2vgg s ARG 559 CO 0.69 -0.32 1.09 -2.14 -0.04 0.00 0.00 175.30 174.58 2vgg s PRO 560 N -3.86 2.60 0.00 3.89 0.02 -1.26 -4.85 135.00 131.53 2vgg s PRO 560 Ca 0.06 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.29 2vgg s PRO 560 Cb 0.04 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2vgg s PRO 560 CO -0.10 -1.39 0.00 0.41 -0.33 0.00 0.00 177.00 175.60 2vgg n GLY 561 N -1.10 0.77 3.98 0.52 0.00 -1.26 -5.01 105.19 103.09 2vgg n GLY 561 Ca 0.09 -2.24 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 2vgg n GLY 561 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vgg s SER 562 N 0.00 5.90 -0.12 1.61 0.15 -1.26 -4.55 113.70 115.43 2vgg s SER 562 Ca 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2vgg s SER 562 Cb 0.00 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 2vgg s SER 562 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2vgg n GLY 563 N -1.81 0.50 0.07 9.45 0.00 -1.26 -4.91 105.19 107.22 2vgg n GLY 563 Ca 0.01 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.74 2vgg n GLY 563 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2vgg n TYR 564 N -2.88 0.00 -1.67 1.61 4.02 -1.26 -4.94 117.16 112.04 2vgg n TYR 564 Ca -0.01 -0.70 -0.48 0.00 -0.01 0.00 0.00 57.90 56.70 2vgg n TYR 564 Cb 0.08 -0.10 -0.05 0.00 -0.02 0.00 0.00 39.34 39.26 2vgg n TYR 564 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2vgg n THR 565 N -0.92 0.21 -1.95 -0.72 -1.04 -1.26 -3.26 114.28 105.33 2vgg n THR 565 Ca 0.08 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.05 62.02 2vgg n THR 565 Cb 0.49 -1.52 -0.04 0.00 -1.82 0.00 0.00 70.33 67.44 2vgg n THR 565 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2vgg n ASN 566 N 4.48 -0.56 -3.93 8.00 6.94 -0.07 -3.95 115.26 126.17 2vgg n ASN 566 Ca 0.20 -1.49 -0.13 0.00 -0.02 0.00 0.00 54.58 53.14 2vgg n ASN 566 Cb 0.26 0.17 -0.13 0.00 -2.36 0.00 0.00 39.78 37.72 2vgg n ASN 566 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2vgg s ILE 567 N 0.00 0.18 -0.07 1.53 1.01 -0.85 -4.95 121.20 118.06 2vgg s ILE 567 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2vgg s ILE 567 Cb 0.00 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.29 2vgg s ILE 567 CO 0.00 -0.07 -0.09 -0.32 0.00 0.00 0.00 174.94 174.47 2vgg s MET 568 N -0.37 1.37 0.17 2.79 1.75 -1.26 -2.48 119.30 121.27 2vgg s MET 568 Ca -0.02 -0.28 0.09 0.00 -1.25 0.00 0.00 55.69 54.23 2vgg s MET 568 Cb -0.03 -1.24 -0.04 0.00 2.84 0.00 0.00 34.83 36.36 2vgg s MET 568 CO -0.00 -0.06 -0.19 1.03 -0.65 0.00 0.00 175.02 175.14 2vgg s ARG 569 N 0.94 1.33 -0.23 4.11 0.52 -0.25 -4.97 118.95 120.39 2vgg s ARG 569 Ca -0.10 -1.44 -0.02 0.00 -0.52 0.00 0.00 55.73 53.66 2vgg s ARG 569 Cb -0.15 -1.44 0.02 0.00 0.52 0.00 0.00 34.95 33.90 2vgg s ARG 569 CO 0.01 0.30 -0.08 0.08 0.02 0.00 0.00 175.30 175.63 2vgg s VAL 570 N -1.97 2.84 0.07 3.52 1.01 -1.26 -1.40 120.40 123.22 2vgg s VAL 570 Ca 0.17 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.31 2vgg s VAL 570 Cb -0.06 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2vgg s VAL 570 CO 0.07 0.28 -0.23 -0.76 0.00 0.00 0.00 175.10 174.46 2vgg s LEU 571 N 1.34 2.23 -0.08 3.92 1.43 -0.62 -5.00 118.68 121.90 2vgg s LEU 571 Ca 0.02 -0.62 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 2vgg s LEU 571 Cb -0.16 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2vgg s LEU 571 CO -0.05 0.16 0.19 -0.94 0.23 0.00 0.00 176.35 175.93 2vgg s SER 572 N -1.53 6.45 0.00 2.29 1.04 -1.26 0.21 113.70 120.90 2vgg s SER 572 Ca 0.09 0.52 0.28 0.00 0.48 0.00 0.00 55.95 57.33 2vgg s SER 572 Cb -0.10 -2.09 1.10 0.00 0.10 0.00 0.00 66.02 65.04 2vgg s SER 572 CO 0.03 0.37 1.77 -0.38 0.98 0.00 0.00 173.24 176.02