#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4g n PRO 77 N 0.00 -1.36 -3.82 3.49 -0.02 -1.26 -5.03 135.00 126.99 1a4g n PRO 77 Ca 0.00 -0.35 -0.21 0.00 -2.02 0.00 0.00 63.50 60.91 1a4g n PRO 77 Cb 0.00 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 1a4g n PRO 77 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1a4g s GLU 78 N -4.24 2.69 0.34 -0.52 -1.05 -1.26 -4.84 118.70 109.81 1a4g s GLU 78 Ca 0.65 -1.32 -0.29 0.00 -0.15 0.00 0.00 54.97 53.85 1a4g s GLU 78 Cb -0.22 -2.45 -0.11 0.00 -0.44 0.00 0.00 34.13 30.91 1a4g s GLU 78 CO 0.63 0.08 1.46 -1.58 0.95 0.00 0.00 175.26 176.81 1a4g s TRP 79 N -2.32 2.77 0.35 4.83 0.23 -1.26 -4.27 118.94 119.26 1a4g s TRP 79 Ca 0.41 1.13 -0.26 0.00 -2.03 0.00 0.00 56.10 55.35 1a4g s TRP 79 Cb -0.05 -3.93 -0.09 0.00 0.03 0.00 0.00 33.47 29.42 1a4g s TRP 79 CO 0.26 -2.82 1.05 0.99 0.96 0.00 0.00 176.95 177.39 1a4g s THR 80 N -0.79 3.72 0.03 2.01 2.01 -0.50 -4.79 115.64 117.33 1a4g s THR 80 Ca 0.55 1.45 0.03 0.00 0.31 0.00 0.00 61.69 64.03 1a4g s THR 80 Cb -0.45 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 1a4g s THR 80 CO 0.56 0.14 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.23 1a4g s TYR 81 N -1.50 0.78 0.46 4.92 1.51 -1.26 -1.61 117.35 120.64 1a4g s TYR 81 Ca 0.53 -0.33 -0.23 0.00 -1.01 0.00 0.00 57.07 56.02 1a4g s TYR 81 Cb -0.25 -0.47 -0.09 0.00 -0.11 0.00 0.00 41.96 41.04 1a4g s TYR 81 CO 0.31 -0.03 1.09 -0.35 -1.11 0.00 0.00 175.55 175.47 1a4g n PRO 82 N 2.07 1.46 -4.67 -1.71 -0.04 -1.26 -5.04 135.00 125.80 1a4g n PRO 82 Ca -0.18 0.53 -0.30 0.00 -0.04 0.00 0.00 63.50 63.50 1a4g n PRO 82 Cb 0.56 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.76 1a4g n PRO 82 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1a4g s ARG 83 N -2.23 2.12 0.56 0.54 0.52 -1.26 -4.88 118.95 114.32 1a4g s ARG 83 Ca 0.65 -2.35 -0.18 0.00 -0.52 0.00 0.00 55.73 53.33 1a4g s ARG 83 Cb -0.51 -1.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.81 1a4g s ARG 83 CO 0.55 -0.46 1.08 -0.51 0.02 0.00 0.00 175.30 175.99 1a4g s LEU 84 N -3.78 3.64 0.53 2.53 1.43 -1.26 -4.65 118.68 117.13 1a4g s LEU 84 Ca 0.11 1.99 -0.18 0.00 -1.03 0.00 0.00 54.13 55.02 1a4g s LEU 84 Cb 0.01 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 1a4g s LEU 84 CO 0.07 -1.17 1.05 -0.44 0.23 0.00 0.00 176.35 176.09 1a4g s SER 85 N -2.23 6.09 0.57 2.29 0.01 -0.22 -1.74 113.70 118.47 1a4g s SER 85 Ca 0.68 1.89 -0.21 0.00 1.31 0.00 0.00 55.95 59.62 1a4g s SER 85 Cb -0.19 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 1a4g s SER 85 CO 0.30 -0.96 1.35 0.00 0.41 0.00 0.00 173.24 174.35 1a4g s GLN 87 N -3.01 3.83 0.00 0.00 0.00 -1.26 -4.97 119.66 114.25 1a4g s GLN 87 Ca 0.74 2.46 0.00 0.00 -0.00 0.00 0.00 55.36 58.57 1a4g s GLN 87 Cb -0.41 -2.76 0.00 0.00 0.00 0.00 0.00 33.01 29.84 1a4g s GLN 87 CO 0.47 -0.72 0.00 0.41 0.00 0.00 0.00 175.29 175.45 1a4g n GLY 88 N 0.54 2.06 0.00 2.60 0.00 -1.26 -4.63 105.19 104.50 1a4g n GLY 88 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1a4g n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a4g n SER 89 N 0.00 0.00 -3.75 1.61 3.41 -0.06 -4.98 113.62 109.85 1a4g n SER 89 Ca 0.00 -1.00 -0.11 0.00 -0.26 0.00 0.00 58.87 57.50 1a4g n SER 89 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1a4g n SER 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1a4g s THR 90 N 0.00 0.08 0.44 6.66 -1.32 -1.21 -4.81 115.64 115.49 1a4g s THR 90 Ca 0.00 -0.70 -0.02 0.00 -1.21 0.00 0.00 61.69 59.77 1a4g s THR 90 Cb 0.00 -0.98 -0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1a4g s THR 90 CO 0.00 -0.39 0.68 -0.36 -2.21 0.00 0.00 174.62 172.35 1a4g s PHE 91 N -2.72 3.40 0.01 9.09 0.40 -1.26 -0.61 117.98 126.29 1a4g s PHE 91 Ca -0.04 0.45 -0.12 0.00 -0.60 0.00 0.00 56.93 56.62 1a4g s PHE 91 Cb -0.00 -2.22 0.02 0.00 0.51 0.00 0.00 43.02 41.32 1a4g s PHE 91 CO -0.04 -0.23 0.26 -0.65 0.70 0.00 0.00 175.22 175.26 1a4g s GLN 92 N -4.57 0.68 0.06 0.44 -1.52 0.22 -3.96 119.66 111.02 1a4g s GLN 92 Ca 0.46 -0.39 -0.30 0.00 -1.95 0.00 0.00 55.36 53.17 1a4g s GLN 92 Cb -0.10 0.29 -0.09 0.00 -0.22 0.00 0.00 33.01 32.89 1a4g s GLN 92 CO 0.40 -0.20 1.93 0.21 -0.25 0.00 0.00 175.29 177.38 1a4g s LYS 93 N -1.91 4.14 -0.11 2.91 2.20 -1.26 -1.63 119.74 124.07 1a4g s LYS 93 Ca -0.10 2.61 -0.13 0.00 -0.36 0.00 0.00 55.97 57.99 1a4g s LYS 93 Cb -0.04 -4.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1a4g s LYS 93 CO 0.00 -0.93 -0.25 0.00 -0.36 0.00 0.00 175.35 173.81 1a4g n ALA 94 N 7.12 1.16 -3.31 3.13 0.00 -0.01 -4.93 120.51 123.67 1a4g n ALA 94 Ca 0.19 -0.62 -0.14 0.00 0.00 0.00 0.00 53.44 52.87 1a4g n ALA 94 Cb 0.40 0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 1a4g n ALA 94 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1a4g s LEU 95 N -7.41 0.47 -0.07 0.00 0.20 -1.10 -5.01 118.68 105.76 1a4g s LEU 95 Ca -0.21 0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.94 1a4g s LEU 95 Cb 0.03 1.57 0.02 0.00 -0.43 0.00 0.00 46.19 47.37 1a4g s LEU 95 CO 0.31 -0.45 -0.11 -0.22 -0.29 0.00 0.00 176.35 175.59 1a4g s LEU 96 N -1.13 1.57 -0.36 -0.68 2.96 -1.26 -0.21 118.68 119.58 1a4g s LEU 96 Ca -0.12 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1a4g s LEU 96 Cb -0.04 -0.83 0.08 0.00 0.50 0.00 0.00 46.19 45.90 1a4g s LEU 96 CO 0.05 0.01 0.11 -0.63 -1.32 0.00 0.00 176.35 174.57 1a4g s ILE 97 N 0.83 3.18 -0.61 6.68 -1.09 -0.01 -5.01 121.20 125.17 1a4g s ILE 97 Ca -0.11 -1.71 0.04 0.00 -2.23 0.00 0.00 60.65 56.64 1a4g s ILE 97 Cb -0.15 -3.01 0.15 0.00 -1.58 0.00 0.00 42.46 37.87 1a4g s ILE 97 CO 0.02 -0.41 0.38 -0.55 -1.23 0.00 0.00 174.94 173.15 1a4g s SER 98 N 1.52 4.59 0.41 3.58 0.15 -1.26 -1.28 113.70 121.40 1a4g s SER 98 Ca 0.02 -3.42 0.09 0.00 0.70 0.00 0.00 55.95 53.34 1a4g s SER 98 Cb -0.21 -1.65 0.86 0.00 -1.71 0.00 0.00 66.02 63.32 1a4g s SER 98 CO -0.02 -0.16 2.01 -0.65 1.20 0.00 0.00 173.24 175.61 1a4g h PRO 99 N 5.98 0.37 -0.04 5.44 0.11 -1.96 -2.65 132.00 139.26 1a4g h PRO 99 Ca 0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1a4g h PRO 99 Cb 0.83 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1a4g h PRO 99 CO 0.71 0.34 0.00 0.72 -0.21 0.00 0.00 178.00 179.55 1a4g n HIS 100 N -4.40 0.04 0.36 0.65 8.25 -1.26 -1.82 115.22 117.05 1a4g n HIS 100 Ca 0.01 -0.02 0.10 0.00 -0.26 0.00 0.00 57.72 57.55 1a4g n HIS 100 Cb 0.15 0.00 0.44 0.00 1.12 0.00 0.00 29.99 31.70 1a4g n HIS 100 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1a4g n ARG 101 N -0.53 0.13 -0.09 -0.41 5.12 -1.00 -2.08 116.66 117.80 1a4g n ARG 101 Ca 0.16 0.42 0.10 0.00 -1.93 0.00 0.00 57.85 56.60 1a4g n ARG 101 Cb 0.14 -1.78 0.15 0.00 -1.16 0.00 0.00 32.46 29.80 1a4g n ARG 101 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1a4g n PHE 102 N -2.04 0.06 -0.45 -1.55 3.72 -0.75 -4.77 117.46 111.68 1a4g n PHE 102 Ca 0.02 -0.99 0.09 0.00 -0.05 0.00 0.00 57.45 56.53 1a4g n PHE 102 Cb 0.17 -0.16 0.29 0.00 -0.94 0.00 0.00 39.48 38.85 1a4g n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a4g n GLY 103 N -1.37 2.74 3.66 1.37 0.00 -0.88 -4.03 105.19 106.68 1a4g n GLY 103 Ca 0.16 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 1a4g n GLY 103 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a4g n GLU 104 N 1.11 1.39 0.28 1.61 4.71 -1.26 -3.13 120.64 125.35 1a4g n GLU 104 Ca 0.22 0.51 0.12 0.00 -0.01 0.00 0.00 57.16 58.00 1a4g n GLU 104 Cb 0.68 -2.27 0.78 0.00 -1.01 0.00 0.00 31.44 29.62 1a4g n GLU 104 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a4g h ALA 105 N 1.28 1.66 -0.42 0.62 0.00 -1.95 -1.63 119.26 118.82 1a4g h ALA 105 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1a4g h ALA 105 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1a4g h ALA 105 CO 0.55 0.04 0.00 2.89 0.00 0.00 0.00 179.25 182.73 1a4g n ARG 106 N -4.08 2.28 -2.19 0.00 1.85 -1.26 -4.92 116.66 108.35 1a4g n ARG 106 Ca -0.03 -1.96 -0.18 0.00 -1.00 0.00 0.00 57.85 54.68 1a4g n ARG 106 Cb 0.12 -1.47 0.09 0.00 -1.05 0.00 0.00 32.46 30.16 1a4g n ARG 106 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a4g n GLY 107 N 1.40 0.71 2.03 2.89 0.00 -0.61 -5.05 105.19 106.55 1a4g n GLY 107 Ca 0.19 -2.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 1a4g n GLY 107 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a4g n ASN 108 N -2.91 3.75 -4.54 1.61 5.03 -1.26 -4.95 115.26 111.98 1a4g n ASN 108 Ca 0.13 -3.34 -0.25 0.00 0.87 0.00 0.00 54.58 51.99 1a4g n ASN 108 Cb 0.47 -0.39 -0.10 0.00 -1.02 0.00 0.00 39.78 38.74 1a4g n ASN 108 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1a4g s SER 109 N -3.55 3.77 -0.47 6.41 0.01 -1.26 -5.07 113.70 113.53 1a4g s SER 109 Ca 0.44 -1.13 0.08 0.00 1.31 0.00 0.00 55.95 56.66 1a4g s SER 109 Cb 0.39 -0.37 0.32 0.00 0.21 0.00 0.00 66.02 66.57 1a4g s SER 109 CO 0.00 -0.15 0.77 0.00 0.41 0.00 0.00 173.24 174.27 1a4g n ALA 110 N -0.77 3.17 -1.70 1.44 0.00 -1.26 -4.26 120.51 117.12 1a4g n ALA 110 Ca -0.05 -3.98 -0.43 0.00 0.00 0.00 0.00 53.44 48.98 1a4g n ALA 110 Cb 0.62 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 1a4g n ALA 110 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a4g n PRO 111 N 0.37 2.28 -2.64 0.00 -0.04 -1.25 -1.20 135.00 132.53 1a4g n PRO 111 Ca 0.27 0.81 -0.37 0.00 -0.04 0.00 0.00 63.50 64.16 1a4g n PRO 111 Cb 0.52 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.44 1a4g n PRO 111 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a4g s LEU 112 N -0.43 4.30 -0.10 1.53 1.43 -0.61 -2.04 118.68 122.77 1a4g s LEU 112 Ca 0.63 1.98 -0.29 0.00 -1.03 0.00 0.00 54.13 55.43 1a4g s LEU 112 Cb -0.58 -4.01 -0.01 0.00 0.03 0.00 0.00 46.19 41.62 1a4g s LEU 112 CO 0.53 -0.24 0.98 -0.63 0.23 0.00 0.00 176.35 177.22 1a4g s ILE 113 N -1.55 4.81 0.15 -0.59 1.01 0.01 -4.89 121.20 120.14 1a4g s ILE 113 Ca 0.52 1.98 -0.02 0.00 0.00 0.00 0.00 60.65 63.13 1a4g s ILE 113 Cb -0.22 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 37.93 1a4g s ILE 113 CO 0.28 0.03 0.12 0.27 0.00 0.00 0.00 174.94 175.63 1a4g s ILE 114 N 1.91 0.07 0.33 2.92 -5.25 -1.26 -0.93 121.20 119.00 1a4g s ILE 114 Ca 0.47 -1.84 -0.10 0.00 -0.99 0.00 0.00 60.65 58.20 1a4g s ILE 114 Cb -0.18 -2.11 0.02 0.00 2.95 0.00 0.00 42.46 43.14 1a4g s ILE 114 CO 0.18 -0.34 0.59 -0.13 -1.79 0.00 0.00 174.94 173.46 1a4g s ARG 115 N -4.06 1.94 -1.25 0.37 0.52 -0.63 -3.56 118.95 112.28 1a4g s ARG 115 Ca 0.26 -1.51 -0.15 0.00 -0.52 0.00 0.00 55.73 53.81 1a4g s ARG 115 Cb 0.07 0.52 0.00 0.00 0.52 0.00 0.00 34.95 36.06 1a4g s ARG 115 CO 0.04 -0.85 0.62 0.39 0.02 0.00 0.00 175.30 175.52 1a4g n GLU 116 N -0.51 -1.77 -1.98 3.54 4.71 -1.26 -0.97 120.64 122.40 1a4g n GLU 116 Ca -0.03 0.37 -0.34 0.00 -0.01 0.00 0.00 57.16 57.15 1a4g n GLU 116 Cb 0.61 -4.00 0.02 0.00 -1.01 0.00 0.00 31.44 27.06 1a4g n GLU 116 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1a4g s PRO 117 N -6.44 3.08 0.24 3.49 0.04 -1.26 -4.05 135.00 130.10 1a4g s PRO 117 Ca 0.30 1.41 -0.21 0.00 0.04 0.00 0.00 61.00 62.54 1a4g s PRO 117 Cb -0.12 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1a4g s PRO 117 CO 0.89 -1.03 0.67 -0.59 0.04 0.00 0.00 177.00 176.98 1a4g s PHE 118 N -2.19 -0.28 0.04 0.56 -0.12 -0.51 -4.90 117.98 110.58 1a4g s PHE 118 Ca 0.68 -0.09 0.05 0.00 -0.05 0.00 0.00 56.93 57.52 1a4g s PHE 118 Cb -0.20 0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 1a4g s PHE 118 CO 0.36 -1.10 -0.15 0.42 -0.05 0.00 0.00 175.22 174.70 1a4g s ILE 119 N -3.87 1.19 -0.03 -4.49 1.01 -1.26 -0.61 121.20 113.14 1a4g s ILE 119 Ca 0.08 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 1a4g s ILE 119 Cb -0.04 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.37 1a4g s ILE 119 CO 0.00 0.05 0.07 0.00 0.00 0.00 0.00 174.94 175.06 1a4g s ALA 120 N -0.81 -0.15 0.08 9.38 0.00 -0.91 -4.39 121.76 124.96 1a4g s ALA 120 Ca 0.03 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.28 1a4g s ALA 120 Cb -0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1a4g s ALA 120 CO 0.01 -0.04 -0.25 0.00 0.00 0.00 0.00 175.76 175.48 1a4g n GLY 122 N 1.39 3.14 0.26 0.00 0.00 0.06 -4.53 105.19 105.51 1a4g n GLY 122 Ca -0.18 -2.07 0.02 0.00 0.00 0.00 0.00 46.02 43.79 1a4g n GLY 122 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a4g h PRO 123 N 0.00 0.37 0.00 1.61 0.11 -1.94 -3.36 132.00 128.79 1a4g h PRO 123 Ca 0.00 -0.08 -0.14 0.00 0.11 0.00 0.00 66.00 65.89 1a4g h PRO 123 Cb 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 1a4g h PRO 123 CO 0.00 0.44 -1.77 1.63 -0.21 0.00 0.00 178.00 178.09 1a4g n LYS 124 N -4.30 1.37 -3.71 1.05 4.76 -1.26 -4.80 118.16 111.27 1a4g n LYS 124 Ca 0.00 -0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.29 1a4g n LYS 124 Cb 0.24 -1.32 -0.04 0.00 -1.84 0.00 0.00 35.03 32.07 1a4g n LYS 124 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1a4g s GLU 125 N -2.54 1.28 -0.00 1.97 -1.05 -1.26 -5.12 118.70 111.98 1a4g s GLU 125 Ca -0.06 -0.83 0.03 0.00 -0.15 0.00 0.00 54.97 53.97 1a4g s GLU 125 Cb 0.06 0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 34.21 1a4g s GLU 125 CO 0.53 -0.53 -0.07 0.00 0.95 0.00 0.00 175.26 176.14 1a4g s LYS 127 N -1.36 2.38 -0.41 0.00 1.02 -0.02 -1.12 119.74 120.23 1a4g s LYS 127 Ca 0.17 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 55.23 1a4g s LYS 127 Cb -0.11 -2.23 0.05 0.00 -0.52 0.00 0.00 37.83 35.02 1a4g s LYS 127 CO 0.07 0.56 0.27 -1.58 -0.92 0.00 0.00 175.35 173.75 1a4g s HIS 128 N -0.59 3.27 0.35 3.18 5.65 -0.17 -2.14 115.29 124.84 1a4g s HIS 128 Ca 0.09 -1.10 0.03 0.00 0.25 0.00 0.00 55.06 54.33 1a4g s HIS 128 Cb -0.11 -2.76 -0.02 0.00 -1.18 0.00 0.00 32.58 28.52 1a4g s HIS 128 CO 0.00 -0.74 0.52 -0.06 -0.65 0.00 0.00 174.74 173.81 1a4g s PHE 129 N 1.54 3.28 0.12 3.88 0.40 0.22 -2.48 117.98 124.93 1a4g s PHE 129 Ca 0.03 0.04 -0.26 0.00 -0.60 0.00 0.00 56.93 56.14 1a4g s PHE 129 Cb -0.21 -1.98 0.08 0.00 0.51 0.00 0.00 43.02 41.42 1a4g s PHE 129 CO 0.06 0.01 1.07 0.00 0.70 0.00 0.00 175.22 177.05 1a4g s ALA 130 N -2.26 -1.81 -0.36 5.36 0.00 -1.09 -1.42 121.76 120.17 1a4g s ALA 130 Ca 0.43 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1a4g s ALA 130 Cb -0.10 0.62 0.10 0.00 0.00 0.00 0.00 23.12 23.74 1a4g s ALA 130 CO 0.33 -1.06 0.09 -0.51 0.00 0.00 0.00 175.76 174.62 1a4g s LEU 131 N -3.12 4.80 0.57 0.00 1.02 -0.15 -2.11 118.68 119.70 1a4g s LEU 131 Ca 0.16 -1.99 -0.15 0.00 0.02 0.00 0.00 54.13 52.17 1a4g s LEU 131 Cb -0.00 -1.71 -0.05 0.00 0.02 0.00 0.00 46.19 44.45 1a4g s LEU 131 CO 0.02 -0.42 1.02 0.28 0.02 0.00 0.00 176.35 177.27 1a4g s THR 132 N 1.03 4.31 -2.17 5.49 -1.32 -0.38 -1.61 115.64 120.99 1a4g s THR 132 Ca 0.07 1.00 0.19 0.00 -1.21 0.00 0.00 61.69 61.74 1a4g s THR 132 Cb -0.21 -3.62 0.45 0.00 -1.51 0.00 0.00 72.50 67.62 1a4g s THR 132 CO -0.06 -0.74 1.43 1.41 -2.21 0.00 0.00 174.62 174.45 1a4g n HIS 133 N -2.08 0.53 -3.38 9.09 8.25 -0.10 -2.71 115.22 124.82 1a4g n HIS 133 Ca 0.07 -0.27 -0.16 0.00 -0.26 0.00 0.00 57.72 57.10 1a4g n HIS 133 Cb 0.54 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.73 1a4g n HIS 133 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1a4g n TYR 134 N 0.94 -2.15 -3.60 4.41 4.19 -1.26 -4.71 117.16 114.98 1a4g n TYR 134 Ca 0.17 0.91 -0.16 0.00 3.31 0.00 0.00 57.90 62.14 1a4g n TYR 134 Cb 0.45 -4.95 -0.07 0.00 0.49 0.00 0.00 39.34 35.26 1a4g n TYR 134 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a4g s ALA 135 N -3.35 -1.40 0.37 2.98 0.00 -1.26 -5.07 121.76 114.04 1a4g s ALA 135 Ca 0.03 0.89 0.08 0.00 0.00 0.00 0.00 51.96 52.96 1a4g s ALA 135 Cb -0.00 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.14 1a4g s ALA 135 CO 0.71 -0.36 -0.01 0.00 0.00 0.00 0.00 175.76 176.10 1a4g s ALA 136 N -1.46 3.14 -0.15 0.00 0.00 -1.26 -0.81 121.76 121.22 1a4g s ALA 136 Ca -0.11 -2.14 0.02 0.00 0.00 0.00 0.00 51.96 49.73 1a4g s ALA 136 Cb -0.02 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1a4g s ALA 136 CO 0.06 -0.02 -0.20 -1.14 0.00 0.00 0.00 175.76 174.47 1a4g s GLN 137 N -3.69 3.07 0.60 0.00 0.74 -0.86 -3.21 119.66 116.30 1a4g s GLN 137 Ca 0.35 -0.83 -0.17 0.00 0.05 0.00 0.00 55.36 54.75 1a4g s GLN 137 Cb 0.05 -2.49 -0.03 0.00 1.10 0.00 0.00 33.01 31.64 1a4g s GLN 137 CO 0.18 -0.01 1.13 -1.25 -0.55 0.00 0.00 175.29 174.79 1a4g s PRO 138 N 0.83 3.08 0.08 1.67 0.04 -1.18 -3.92 135.00 135.59 1a4g s PRO 138 Ca -0.06 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.30 1a4g s PRO 138 Cb -0.15 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.49 1a4g s PRO 138 CO -0.02 -1.06 1.03 0.41 0.04 0.00 0.00 177.00 177.40 1a4g n GLY 139 N -0.09 0.47 0.18 0.56 0.00 -1.20 -5.01 105.19 100.12 1a4g n GLY 139 Ca 0.11 -1.08 0.02 0.00 0.00 0.00 0.00 46.02 45.08 1a4g n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4g n GLY 140 N -0.73 3.17 1.57 -0.02 0.00 -1.26 -4.69 105.19 103.22 1a4g n GLY 140 Ca 0.01 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 1a4g n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a4g n TYR 141 N -0.37 1.85 0.26 1.61 4.01 -1.26 -4.76 117.16 118.50 1a4g n TYR 141 Ca 0.05 -2.02 0.14 0.00 -0.16 0.00 0.00 57.90 55.91 1a4g n TYR 141 Cb 0.35 -0.52 0.71 0.00 -0.31 0.00 0.00 39.34 39.57 1a4g n TYR 141 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1a4g h TYR 142 N 1.59 0.00 -2.89 -0.72 0.05 -1.93 -3.42 116.97 109.65 1a4g h TYR 142 Ca 0.30 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.51 1a4g h TYR 142 Cb 1.41 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.11 1a4g h TYR 142 CO 0.98 0.11 0.95 -0.80 -1.05 0.00 0.00 178.16 178.35 1a4g s ASN 143 N -6.00 6.85 0.00 3.88 0.02 -1.26 -1.86 114.94 116.57 1a4g s ASN 143 Ca -0.02 1.70 0.00 0.00 -1.02 0.00 0.00 52.86 53.52 1a4g s ASN 143 Cb 0.12 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.85 1a4g s ASN 143 CO 0.57 -0.84 0.00 0.61 0.02 0.00 0.00 177.10 177.46 1a4g n GLY 144 N 3.81 2.49 0.00 0.66 0.00 -1.26 -4.98 105.19 105.91 1a4g n GLY 144 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1a4g n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a4g n THR 145 N -0.60 0.15 1.01 2.61 -2.24 -0.78 -1.02 114.28 113.40 1a4g n THR 145 Ca 0.00 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 1a4g n THR 145 Cb 0.00 -0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 67.40 1a4g n THR 145 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1a4g n ARG 146 N -1.07 0.60 -1.88 -0.78 0.63 -1.26 -4.68 116.66 108.21 1a4g n ARG 146 Ca 0.11 -0.49 -0.33 0.00 -0.92 0.00 0.00 57.85 56.22 1a4g n ARG 146 Cb 0.07 -1.49 0.03 0.00 0.45 0.00 0.00 32.46 31.52 1a4g n ARG 146 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1a4g s GLU 147 N -2.74 3.08 -0.11 -0.14 2.02 -0.19 -5.01 118.70 115.62 1a4g s GLU 147 Ca 0.13 1.23 -0.08 0.00 0.02 0.00 0.00 54.97 56.27 1a4g s GLU 147 Cb 0.17 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.37 1a4g s GLU 147 CO 0.72 -1.00 -0.16 -0.25 0.02 0.00 0.00 175.26 174.58 1a4g n ASP 148 N -2.32 1.36 -4.58 -0.19 8.00 -1.26 -4.97 116.55 112.58 1a4g n ASP 148 Ca 0.09 0.47 -0.34 0.00 0.71 0.00 0.00 54.79 55.72 1a4g n ASP 148 Cb 0.53 -0.75 -0.11 0.00 -0.02 0.00 0.00 41.12 40.76 1a4g n ASP 148 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1a4g s ARG 149 N -2.03 3.11 -0.02 -1.24 0.52 -1.26 -4.95 118.95 113.08 1a4g s ARG 149 Ca -0.13 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 54.28 1a4g s ARG 149 Cb 0.02 -2.75 0.11 0.00 0.52 0.00 0.00 34.95 32.85 1a4g s ARG 149 CO 0.20 0.54 1.01 0.54 0.02 0.00 0.00 175.30 177.61 1a4g s ASN 150 N -0.46 -0.25 0.00 0.23 2.20 -1.26 -5.06 114.94 110.34 1a4g s ASN 150 Ca 0.07 -0.09 0.18 0.00 -0.94 0.00 0.00 52.86 52.09 1a4g s ASN 150 Cb -0.12 0.33 1.10 0.00 -2.00 0.00 0.00 41.25 40.56 1a4g s ASN 150 CO 0.02 -0.56 1.52 0.29 -2.94 0.00 0.00 177.10 175.43 1a4g n LYS 151 N -0.27 0.66 -0.01 3.55 5.02 -1.26 -3.39 118.16 122.46 1a4g n LYS 151 Ca -0.06 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.30 1a4g n LYS 151 Cb 0.61 -1.43 -0.11 0.00 -0.02 0.00 0.00 35.03 34.07 1a4g n LYS 151 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a4g n LEU 152 N -0.93 0.02 -4.69 -0.35 4.32 -1.26 -4.99 117.00 109.11 1a4g n LEU 152 Ca 0.14 -0.01 -0.44 0.00 -0.02 0.00 0.00 56.01 55.67 1a4g n LEU 152 Cb 0.06 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.84 1a4g n LEU 152 CO 0.10 0.01 1.05 0.54 -1.22 0.00 0.00 177.39 177.87 1a4g n ARG 153 N -1.99 2.17 -3.89 3.23 5.12 -1.22 -4.46 116.66 115.62 1a4g n ARG 153 Ca -0.03 0.77 -0.11 0.00 -1.93 0.00 0.00 57.85 56.56 1a4g n ARG 153 Cb 0.38 -2.45 -0.10 0.00 -1.16 0.00 0.00 32.46 29.13 1a4g n ARG 153 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1a4g s HIS 154 N -0.15 0.07 -0.05 -1.55 3.76 -1.07 -1.32 115.29 114.99 1a4g s HIS 154 Ca 0.66 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 55.10 1a4g s HIS 154 Cb -0.61 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 32.99 1a4g s HIS 154 CO 0.51 -0.24 0.99 -1.17 -0.85 0.00 0.00 174.74 173.98 1a4g s LEU 155 N -1.24 4.31 0.26 0.89 2.96 -0.34 -1.24 118.68 124.26 1a4g s LEU 155 Ca -0.13 1.59 0.04 0.00 -0.22 0.00 0.00 54.13 55.40 1a4g s LEU 155 Cb -0.07 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1a4g s LEU 155 CO 0.01 -0.35 0.01 0.27 -1.32 0.00 0.00 176.35 174.97 1a4g s ILE 156 N 1.51 1.07 0.13 6.68 -5.25 -0.90 -0.68 121.20 123.77 1a4g s ILE 156 Ca 0.50 -2.03 -0.23 0.00 -0.99 0.00 0.00 60.65 57.90 1a4g s ILE 156 Cb -0.20 -2.46 0.06 0.00 2.95 0.00 0.00 42.46 42.81 1a4g s ILE 156 CO 0.23 -0.23 0.57 -0.94 -1.79 0.00 0.00 174.94 172.78 1a4g s SER 157 N -3.35 -0.52 0.17 4.36 1.04 -0.63 -2.68 113.70 112.09 1a4g s SER 157 Ca 0.31 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.81 1a4g s SER 157 Cb 0.06 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.71 1a4g s SER 157 CO 0.11 -0.91 -0.07 0.68 0.98 0.00 0.00 173.24 174.03 1a4g s VAL 158 N -3.46 1.15 0.27 5.02 -7.23 -1.03 -1.17 120.40 113.94 1a4g s VAL 158 Ca -0.00 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 57.81 1a4g s VAL 158 Cb -0.01 -2.01 -0.10 0.00 0.56 0.00 0.00 36.38 34.83 1a4g s VAL 158 CO -0.10 -0.61 1.35 -0.75 -0.31 0.00 0.00 175.10 174.68 1a4g s LYS 159 N -3.78 4.34 0.04 4.82 2.20 -1.26 -1.00 119.74 125.09 1a4g s LYS 159 Ca 0.20 2.20 -0.35 0.00 -0.36 0.00 0.00 55.97 57.67 1a4g s LYS 159 Cb 0.03 -3.12 -0.13 0.00 -1.51 0.00 0.00 37.83 33.10 1a4g s LYS 159 CO 0.03 -0.28 1.67 -0.11 -0.36 0.00 0.00 175.35 176.30 1a4g n LEU 160 N 1.84 3.03 0.00 5.43 7.94 -0.27 -1.35 117.00 133.62 1a4g n LEU 160 Ca 0.04 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 1a4g n LEU 160 Cb 0.41 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1a4g n LEU 160 CO 0.59 -0.29 0.00 0.61 -1.11 0.00 0.00 177.39 177.19 1a4g n GLY 161 N 3.73 2.35 3.87 -3.96 0.00 -1.26 -4.95 105.19 104.97 1a4g n GLY 161 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1a4g n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4g s LYS 162 N -0.45 3.85 -0.20 1.61 -0.14 -0.45 -5.05 119.74 118.90 1a4g s LYS 162 Ca 0.00 0.38 -0.27 0.00 -1.36 0.00 0.00 55.97 54.72 1a4g s LYS 162 Cb 0.00 -2.58 -0.00 0.00 -1.68 0.00 0.00 37.83 33.57 1a4g s LYS 162 CO 0.00 0.26 0.91 0.42 -0.76 0.00 0.00 175.35 176.18 1a4g s ILE 163 N -1.89 4.80 -1.06 2.17 -1.09 -1.26 -4.86 121.20 118.01 1a4g s ILE 163 Ca 0.49 1.78 -0.23 0.00 -2.23 0.00 0.00 60.65 60.46 1a4g s ILE 163 Cb -0.11 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.52 1a4g s ILE 163 CO 0.21 -0.07 1.90 -2.16 -1.23 0.00 0.00 174.94 173.59 1a4g s PRO 164 N 2.64 2.66 0.43 2.79 0.04 -1.26 -4.73 135.00 137.57 1a4g s PRO 164 Ca 0.40 -0.82 0.08 0.00 0.04 0.00 0.00 61.00 60.70 1a4g s PRO 164 Cb -0.16 -5.18 -0.02 0.00 0.04 0.00 0.00 34.50 29.18 1a4g s PRO 164 CO 0.10 -3.53 0.37 -0.08 0.04 0.00 0.00 177.00 173.90 1a4g s THR 165 N 9.92 2.57 0.19 1.26 -1.32 -1.26 -1.57 115.64 125.43 1a4g s THR 165 Ca 0.67 -1.37 -0.14 0.00 -1.21 0.00 0.00 61.69 59.65 1a4g s THR 165 Cb -0.03 -2.94 0.12 0.00 -1.51 0.00 0.00 72.50 68.14 1a4g s THR 165 CO 0.05 0.00 1.69 0.58 -2.21 0.00 0.00 174.62 174.73 1a4g h VAL 166 N 1.02 0.63 0.00 5.08 2.07 -1.48 -2.20 116.25 121.38 1a4g h VAL 166 Ca -0.41 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 1a4g h VAL 166 Cb 1.27 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1a4g h VAL 166 CO 0.58 0.02 -0.75 -0.33 0.02 0.00 0.00 177.57 177.11 1a4g h GLU 167 N 0.13 0.00 0.05 1.57 5.08 -1.96 -3.35 114.58 116.09 1a4g h GLU 167 Ca 0.25 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.36 1a4g h GLU 167 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1a4g h GLU 167 CO -0.40 0.25 -1.16 -0.91 -1.00 0.00 0.00 179.01 175.79 1a4g h ASN 168 N 0.00 0.17 -4.25 1.42 -0.26 -1.77 -3.46 115.58 107.42 1a4g h ASN 168 Ca -0.05 -0.19 -0.51 0.00 -0.56 0.00 0.00 56.30 55.00 1a4g h ASN 168 Cb 1.29 -0.05 0.10 0.00 -1.06 0.00 0.00 38.32 38.60 1a4g h ASN 168 CO 0.04 1.15 0.36 -0.44 -1.06 0.00 0.00 177.43 177.48 1a4g s SER 169 N -6.84 5.17 -0.06 5.81 0.01 -0.86 -4.77 113.70 112.16 1a4g s SER 169 Ca -0.02 1.84 0.03 0.00 1.31 0.00 0.00 55.95 59.11 1a4g s SER 169 Cb 0.09 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 1a4g s SER 169 CO 0.84 -1.58 -0.13 -0.63 0.41 0.00 0.00 173.24 172.15 1a4g s ILE 170 N -2.64 3.18 -0.36 1.44 -1.09 -0.32 -4.94 121.20 116.47 1a4g s ILE 170 Ca 0.63 -0.67 -0.13 0.00 -2.23 0.00 0.00 60.65 58.25 1a4g s ILE 170 Cb -0.17 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.43 1a4g s ILE 170 CO 0.47 0.58 0.25 -0.36 -1.23 0.00 0.00 174.94 174.65 1a4g s PHE 171 N -0.59 3.23 -0.15 3.97 0.40 -1.26 -1.61 117.98 121.97 1a4g s PHE 171 Ca 0.08 -0.32 -0.25 0.00 -0.60 0.00 0.00 56.93 55.84 1a4g s PHE 171 Cb -0.11 -2.50 -0.25 0.00 0.51 0.00 0.00 43.02 40.67 1a4g s PHE 171 CO 0.01 -0.42 0.60 0.45 0.70 0.00 0.00 175.22 176.56 1a4g h HIS 172 N 8.52 0.09 -2.31 0.36 3.86 -1.26 -3.49 115.15 120.91 1a4g h HIS 172 Ca -0.30 -0.06 0.14 0.00 -1.16 0.00 0.00 60.37 58.99 1a4g h HIS 172 Cb 1.15 -0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.50 1a4g h HIS 172 CO 0.63 1.22 0.49 0.00 0.86 0.00 0.00 177.93 181.13 1a4g s MET 173 N -2.30 1.01 0.01 2.45 0.23 -1.23 -5.00 119.30 114.46 1a4g s MET 173 Ca -0.22 -0.48 -0.30 0.00 -1.03 0.00 0.00 55.69 53.66 1a4g s MET 173 Cb 0.01 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.66 1a4g s MET 173 CO 0.68 -0.45 1.18 0.00 -2.03 0.00 0.00 175.02 174.40 1a4g s ALA 174 N -3.21 3.42 -0.29 3.16 0.00 -1.26 -1.20 121.76 122.38 1a4g s ALA 174 Ca 0.09 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 1a4g s ALA 174 Cb -0.01 -3.47 0.14 0.00 0.00 0.00 0.00 23.12 19.78 1a4g s ALA 174 CO -0.04 -0.56 0.97 0.00 0.00 0.00 0.00 175.76 176.14 1a4g s ALA 175 N 1.56 -2.18 -1.09 0.00 0.00 -0.44 -4.57 121.76 115.05 1a4g s ALA 175 Ca 0.57 2.14 0.11 0.00 0.00 0.00 0.00 51.96 54.77 1a4g s ALA 175 Cb -0.27 -1.63 0.21 0.00 0.00 0.00 0.00 23.12 21.44 1a4g s ALA 175 CO 0.26 -0.32 1.08 -2.67 0.00 0.00 0.00 175.76 174.11 1a4g n TRP 176 N 3.36 0.27 -3.78 0.00 4.27 0.39 -2.58 117.44 119.36 1a4g n TRP 176 Ca -0.17 -0.30 -0.13 0.00 -3.89 0.00 0.00 57.50 53.02 1a4g n TRP 176 Cb 0.57 -0.02 -0.12 0.00 -1.36 0.00 0.00 31.31 30.38 1a4g n TRP 176 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1a4g s SER 177 N -0.96 -0.22 0.26 -0.67 0.15 -1.15 -4.91 113.70 106.19 1a4g s SER 177 Ca 0.19 0.44 -0.09 0.00 0.70 0.00 0.00 55.95 57.18 1a4g s SER 177 Cb 0.11 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1a4g s SER 177 CO 0.15 -0.09 0.42 -0.83 1.20 0.00 0.00 173.24 174.08 1a4g s GLY 178 N 0.37 0.85 0.14 9.45 0.00 -1.26 -0.60 107.32 116.25 1a4g s GLY 178 Ca -0.02 -1.12 -0.25 0.00 0.00 0.00 0.00 44.72 43.32 1a4g s GLY 178 CO -0.02 -0.82 0.91 -0.45 0.00 0.00 0.00 173.10 172.73 1a4g s SER 179 N -3.08 -0.23 -0.15 1.64 0.15 -0.64 -1.09 113.70 110.30 1a4g s SER 179 Ca 0.27 -0.33 -0.31 0.00 0.70 0.00 0.00 55.95 56.27 1a4g s SER 179 Cb 0.01 0.50 0.13 0.00 -1.71 0.00 0.00 66.02 64.95 1a4g s SER 179 CO 0.11 -0.90 1.07 0.00 1.20 0.00 0.00 173.24 174.72 1a4g s ALA 180 N -3.34 -1.96 -0.05 5.45 0.00 -1.26 -0.73 121.76 119.87 1a4g s ALA 180 Ca 0.10 1.49 -0.31 0.00 0.00 0.00 0.00 51.96 53.25 1a4g s ALA 180 Cb -0.02 -0.40 0.11 0.00 0.00 0.00 0.00 23.12 22.82 1a4g s ALA 180 CO 0.00 -0.46 1.04 0.00 0.00 0.00 0.00 175.76 176.34 1a4g s HIS 182 N -2.84 2.76 -2.27 0.00 2.46 -1.26 -1.01 115.29 113.13 1a4g s HIS 182 Ca 0.08 -0.60 0.20 0.00 0.47 0.00 0.00 55.06 55.21 1a4g s HIS 182 Cb -0.01 -1.79 0.55 0.00 -0.13 0.00 0.00 32.58 31.21 1a4g s HIS 182 CO -0.06 -0.16 1.45 -0.40 -2.47 0.00 0.00 174.74 173.10 1a4g n ASP 183 N 3.30 2.58 0.00 9.88 5.68 -0.98 -4.65 116.55 132.37 1a4g n ASP 183 Ca -0.18 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 1a4g n ASP 183 Cb 0.53 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1a4g n ASP 183 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a4g n GLY 184 N 1.31 2.21 0.44 6.12 0.00 -1.26 -1.41 105.19 112.60 1a4g n GLY 184 Ca 0.17 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 1a4g n GLY 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4g n ARG 185 N 0.00 0.38 -4.20 1.61 1.74 -1.26 -4.64 116.66 110.30 1a4g n ARG 185 Ca 0.00 0.17 -0.12 0.00 -0.77 0.00 0.00 57.85 57.13 1a4g n ARG 185 Cb 0.00 -1.14 -0.10 0.00 -1.02 0.00 0.00 32.46 30.20 1a4g n ARG 185 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1a4g s GLU 186 N -2.33 1.21 0.02 5.56 2.56 -1.26 -5.04 118.70 119.42 1a4g s GLU 186 Ca -0.25 -1.63 -0.11 0.00 0.00 0.00 0.00 54.97 52.98 1a4g s GLU 186 Cb 0.10 0.27 -0.05 0.00 2.00 0.00 0.00 34.13 36.45 1a4g s GLU 186 CO 0.32 -0.40 0.36 -1.58 -0.56 0.00 0.00 175.26 173.40 1a4g s TRP 187 N -4.15 3.64 -0.10 5.30 0.52 -1.26 -2.32 118.94 120.56 1a4g s TRP 187 Ca 0.39 0.81 0.04 0.00 0.02 0.00 0.00 56.10 57.35 1a4g s TRP 187 Cb 0.07 -2.16 -0.00 0.00 -1.15 0.00 0.00 33.47 30.22 1a4g s TRP 187 CO 0.12 0.60 -0.23 0.99 0.02 0.00 0.00 176.95 178.45 1a4g s THR 188 N -1.23 2.18 -0.04 2.01 2.01 -0.18 -0.90 115.64 119.49 1a4g s THR 188 Ca 0.27 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.36 1a4g s THR 188 Cb -0.15 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1a4g s THR 188 CO 0.15 0.56 -0.25 -0.31 -0.69 0.00 0.00 174.62 174.08 1a4g s TYR 189 N 0.30 2.42 -0.07 4.92 2.02 -0.21 -1.52 117.35 125.20 1a4g s TYR 189 Ca -0.17 -0.60 0.03 0.00 -0.37 0.00 0.00 57.07 55.96 1a4g s TYR 189 Cb -0.17 -1.57 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 1a4g s TYR 189 CO 0.08 -0.14 -0.14 0.42 -1.57 0.00 0.00 175.55 174.20 1a4g s ILE 190 N -0.34 1.30 0.06 2.71 -1.09 0.09 -1.26 121.20 122.67 1a4g s ILE 190 Ca 0.02 -0.58 0.03 0.00 -2.23 0.00 0.00 60.65 57.88 1a4g s ILE 190 Cb -0.12 -1.17 -0.03 0.00 -1.58 0.00 0.00 42.46 39.56 1a4g s ILE 190 CO 0.02 0.39 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.20 1a4g s GLY 191 N 0.57 0.61 -0.05 6.18 0.00 -0.72 -1.62 107.32 112.28 1a4g s GLY 191 Ca -0.15 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1a4g s GLY 191 CO 0.04 -0.94 -0.14 0.14 0.00 0.00 0.00 173.10 172.21 1a4g s VAL 192 N -1.66 1.22 0.14 1.40 1.01 0.23 -0.34 120.40 122.40 1a4g s VAL 192 Ca -0.06 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1a4g s VAL 192 Cb -0.08 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.23 1a4g s VAL 192 CO 0.00 0.36 0.22 -0.90 0.00 0.00 0.00 175.10 174.78 1a4g n ASP 193 N 3.46 -0.62 0.00 3.32 5.75 -0.96 -0.46 116.55 127.04 1a4g n ASP 193 Ca -0.20 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1a4g n ASP 193 Cb 0.53 1.10 0.00 0.00 -1.03 0.00 0.00 41.12 41.72 1a4g n ASP 193 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a4g n GLY 194 N -0.21 2.29 3.74 6.12 0.00 -1.26 -0.89 105.19 114.97 1a4g n GLY 194 Ca -0.01 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 1a4g n GLY 194 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a4g s PRO 195 N -2.20 2.62 0.30 1.61 0.04 -1.26 -4.62 135.00 131.48 1a4g s PRO 195 Ca 0.00 1.85 0.04 0.00 0.04 0.00 0.00 61.00 62.93 1a4g s PRO 195 Cb 0.00 -1.88 0.69 0.00 0.04 0.00 0.00 34.50 33.35 1a4g s PRO 195 CO 0.00 -1.49 1.78 -0.44 0.04 0.00 0.00 177.00 176.89 1a4g h ASP 196 N 0.42 0.77 1.42 6.66 3.32 -1.97 -0.06 116.42 126.98 1a4g h ASP 196 Ca -0.50 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1a4g h ASP 196 Cb 1.30 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1a4g h ASP 196 CO 0.53 0.29 -0.05 0.77 -1.72 0.00 0.00 179.24 179.06 1a4g h SER 197 N 0.77 0.00 -0.87 6.45 4.64 -1.92 0.13 113.55 122.75 1a4g h SER 197 Ca 0.56 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.54 1a4g h SER 197 Cb 0.83 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.58 1a4g h SER 197 CO -0.37 0.05 -0.98 0.59 -0.87 0.00 0.00 176.83 175.25 1a4g n ASN 198 N -3.14 0.44 -4.46 4.97 4.13 -0.27 -4.24 115.26 112.70 1a4g n ASN 198 Ca 0.02 -2.75 -0.29 0.00 1.68 0.00 0.00 54.58 53.24 1a4g n ASN 198 Cb 0.43 -0.08 0.18 0.00 -1.54 0.00 0.00 39.78 38.76 1a4g n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a4g s ALA 199 N -2.14 1.35 -0.14 5.41 0.00 -0.20 -4.17 121.76 121.88 1a4g s ALA 199 Ca 0.27 -0.67 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 1a4g s ALA 199 Cb 0.42 -2.98 0.05 0.00 0.00 0.00 0.00 23.12 20.61 1a4g s ALA 199 CO -0.01 -2.75 0.33 -1.17 0.00 0.00 0.00 175.76 172.16 1a4g s LEU 200 N -6.33 0.27 0.07 0.00 2.96 -0.07 -3.06 118.68 112.53 1a4g s LEU 200 Ca 0.67 0.71 -0.30 0.00 -0.22 0.00 0.00 54.13 54.99 1a4g s LEU 200 Cb -0.13 1.07 -0.05 0.00 0.50 0.00 0.00 46.19 47.58 1a4g s LEU 200 CO 0.55 -0.17 1.03 -0.63 -1.32 0.00 0.00 176.35 175.82 1a4g s ILE 201 N 1.08 4.44 -0.06 6.68 -1.09 -0.45 -2.27 121.20 129.52 1a4g s ILE 201 Ca -0.07 1.88 0.03 0.00 -2.23 0.00 0.00 60.65 60.26 1a4g s ILE 201 Cb -0.08 -4.20 0.01 0.00 -1.58 0.00 0.00 42.46 36.60 1a4g s ILE 201 CO -0.08 0.22 -0.16 -0.54 -1.23 0.00 0.00 174.94 173.15 1a4g s LYS 202 N 0.48 1.98 -0.03 2.79 1.02 0.54 -1.74 119.74 124.78 1a4g s LYS 202 Ca 0.51 -0.56 0.04 0.00 0.02 0.00 0.00 55.97 55.98 1a4g s LYS 202 Cb -0.25 -1.62 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 1a4g s LYS 202 CO 0.30 0.12 -0.13 0.42 -0.92 0.00 0.00 175.35 175.14 1a4g s ILE 203 N 0.40 3.16 -0.04 2.17 1.01 -0.11 -1.76 121.20 126.04 1a4g s ILE 203 Ca -0.12 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1a4g s ILE 203 Cb -0.15 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1a4g s ILE 203 CO 0.04 0.51 -0.07 -0.75 0.00 0.00 0.00 174.94 174.68 1a4g s LYS 204 N -0.98 0.95 -0.28 2.79 2.20 -0.39 -1.27 119.74 122.76 1a4g s LYS 204 Ca 0.13 -0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.52 1a4g s LYS 204 Cb -0.11 -0.89 0.05 0.00 -1.51 0.00 0.00 37.83 35.37 1a4g s LYS 204 CO 0.03 0.02 -0.04 -0.47 -0.36 0.00 0.00 175.35 174.53 1a4g s TYR 205 N 0.55 3.23 0.00 4.03 5.04 0.57 -1.04 117.35 129.72 1a4g s TYR 205 Ca -0.08 -1.92 0.00 0.00 -2.44 0.00 0.00 57.07 52.63 1a4g s TYR 205 Cb -0.12 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 40.14 1a4g s TYR 205 CO 0.01 -0.81 0.00 0.41 -1.34 0.00 0.00 175.55 173.82 1a4g n GLY 206 N 4.59 3.47 0.09 8.97 0.00 -0.08 -1.79 105.19 120.44 1a4g n GLY 206 Ca -0.14 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1a4g n GLY 206 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a4g h GLU 207 N 0.00 0.00 -5.89 1.61 4.39 -1.93 -3.47 114.58 109.29 1a4g h GLU 207 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 1a4g h GLU 207 Cb 0.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 1a4g h GLU 207 CO 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 179.01 177.67 1a4g s ALA 208 N -3.28 3.60 -0.20 3.43 0.00 -0.74 -5.04 121.76 119.54 1a4g s ALA 208 Ca 0.02 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1a4g s ALA 208 Cb 0.11 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1a4g s ALA 208 CO 0.76 0.27 1.00 0.71 0.00 0.00 0.00 175.76 178.51 1a4g s TYR 209 N -0.35 3.39 -0.06 0.00 2.02 -1.26 -0.31 117.35 120.78 1a4g s TYR 209 Ca 0.24 1.46 0.08 0.00 -0.37 0.00 0.00 57.07 58.49 1a4g s TYR 209 Cb -0.16 -3.21 -0.12 0.00 -0.40 0.00 0.00 41.96 38.06 1a4g s TYR 209 CO 0.12 -0.39 0.10 0.25 -1.57 0.00 0.00 175.55 174.06 1a4g n THR 210 N 5.08 0.35 -3.66 -0.71 -2.24 -0.40 -4.93 114.28 107.77 1a4g n THR 210 Ca 0.10 -0.30 -0.03 0.00 -2.27 0.00 0.00 64.05 61.55 1a4g n THR 210 Cb 0.47 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 1a4g n THR 210 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a4g s ASP 211 N -3.65 -0.18 0.19 3.42 2.15 -1.20 -4.81 116.67 112.59 1a4g s ASP 211 Ca -0.04 -0.23 -0.03 0.00 0.43 0.00 0.00 52.55 52.68 1a4g s ASP 211 Cb 0.04 0.36 -0.03 0.00 -0.30 0.00 0.00 42.92 42.98 1a4g s ASP 211 CO 0.37 -0.64 0.17 0.42 -0.17 0.00 0.00 175.17 175.31 1a4g s THR 212 N -2.96 0.02 -0.11 1.71 -4.23 -1.26 -0.93 115.64 107.88 1a4g s THR 212 Ca 0.11 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 58.69 1a4g s THR 212 Cb 0.00 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.55 1a4g s THR 212 CO -0.02 -0.11 0.26 -0.47 -0.54 0.00 0.00 174.62 173.74 1a4g s TYR 213 N -4.11 -0.34 0.43 3.99 5.04 -0.71 -4.97 117.35 116.67 1a4g s TYR 213 Ca 0.33 0.81 -0.11 0.00 -2.44 0.00 0.00 57.07 55.66 1a4g s TYR 213 Cb 0.06 0.07 -0.06 0.00 0.35 0.00 0.00 41.96 42.38 1a4g s TYR 213 CO 0.09 -0.23 0.80 -1.01 -1.34 0.00 0.00 175.55 173.86 1a4g s HIS 214 N 1.15 3.48 0.16 4.97 3.76 -1.26 -1.35 115.29 126.20 1a4g s HIS 214 Ca -0.08 1.09 -0.33 0.00 -0.15 0.00 0.00 55.06 55.59 1a4g s HIS 214 Cb -0.09 -2.49 -0.13 0.00 1.11 0.00 0.00 32.58 30.98 1a4g s HIS 214 CO -0.08 -0.16 1.68 0.45 -0.85 0.00 0.00 174.74 175.77 1a4g n SER 215 N -1.42 3.55 -0.11 1.40 2.88 -1.17 -4.94 113.62 113.80 1a4g n SER 215 Ca 0.03 1.06 0.06 0.00 -1.33 0.00 0.00 58.87 58.68 1a4g n SER 215 Cb 0.54 -1.49 -0.04 0.00 -0.75 0.00 0.00 64.21 62.47 1a4g n SER 215 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a4g n TYR 216 N 4.05 0.00 -0.68 0.66 0.18 -1.26 -4.58 117.16 115.53 1a4g n TYR 216 Ca 0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.95 1a4g n TYR 216 Cb 0.32 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.28 1a4g n TYR 216 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1a4g n ALA 217 N -0.83 1.28 -4.24 -3.48 0.00 -1.26 -5.05 120.51 106.93 1a4g n ALA 217 Ca 0.03 -0.62 -0.31 0.00 0.00 0.00 0.00 53.44 52.54 1a4g n ALA 217 Cb 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.58 1a4g n ALA 217 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a4g n ASN 218 N -0.15 -0.01 -2.94 0.00 4.13 -1.26 -4.67 115.26 110.36 1a4g n ASN 218 Ca 0.00 -1.18 -0.02 0.00 1.68 0.00 0.00 54.58 55.06 1a4g n ASN 218 Cb 0.40 -2.07 0.00 0.00 -1.54 0.00 0.00 39.78 36.57 1a4g n ASN 218 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1a4g s ASN 219 N -4.17 -1.44 -0.50 6.41 3.84 -1.25 -4.42 114.94 113.41 1a4g s ASN 219 Ca 0.15 -1.28 -0.25 0.00 0.21 0.00 0.00 52.86 51.69 1a4g s ASN 219 Cb -0.09 1.86 0.04 0.00 -0.55 0.00 0.00 41.25 42.51 1a4g s ASN 219 CO 0.97 -0.10 0.64 -0.38 -2.79 0.00 0.00 177.10 175.44 1a4g n ILE 220 N 3.55 -6.86 -1.91 -5.21 5.41 0.44 -0.47 119.36 114.32 1a4g n ILE 220 Ca 0.15 0.34 -0.41 0.00 1.00 0.00 0.00 62.75 63.82 1a4g n ILE 220 Cb 0.57 -5.06 -0.02 0.00 -0.71 0.00 0.00 39.64 34.42 1a4g n ILE 220 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1a4g s LEU 221 N -2.85 4.37 0.30 1.39 2.96 -1.26 -4.38 118.68 119.21 1a4g s LEU 221 Ca 0.28 2.82 -0.15 0.00 -0.22 0.00 0.00 54.13 56.86 1a4g s LEU 221 Cb -0.04 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 43.03 1a4g s LEU 221 CO 0.83 -0.79 0.63 0.00 -1.32 0.00 0.00 176.35 175.70 1a4g s ARG 222 N -0.70 1.84 0.00 1.98 1.70 -0.37 -4.82 118.95 118.58 1a4g s ARG 222 Ca 0.59 -1.28 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 1a4g s ARG 222 Cb -0.44 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 1a4g s ARG 222 CO 0.48 -0.82 0.00 -2.37 -1.08 0.00 0.00 175.30 171.51 1a4g n THR 223 N -0.47 0.00 -0.02 4.99 5.66 -1.26 -1.38 114.28 121.80 1a4g n THR 223 Ca -0.04 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.85 1a4g n THR 223 Cb 0.60 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.33 1a4g n THR 223 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1a4g h GLN 224 N 0.00 0.18 -1.37 1.09 4.20 -1.72 -3.38 115.11 114.11 1a4g h GLN 224 Ca 0.00 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.48 1a4g h GLN 224 Cb 0.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1a4g h GLN 224 CO 0.00 0.21 -0.26 0.39 -0.67 0.00 0.00 178.83 178.50 1a4g n GLU 225 N -4.95 -0.82 -3.86 1.46 -0.58 -0.25 -4.38 120.64 107.27 1a4g n GLU 225 Ca -0.05 0.55 -0.09 0.00 -0.42 0.00 0.00 57.16 57.16 1a4g n GLU 225 Cb 0.07 -4.62 -0.04 0.00 -0.57 0.00 0.00 31.44 26.29 1a4g n GLU 225 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1a4g s SER 226 N -2.57 -0.19 0.28 1.62 1.04 -1.26 -4.61 113.70 108.01 1a4g s SER 226 Ca 0.00 -0.67 -0.29 0.00 0.48 0.00 0.00 55.95 55.47 1a4g s SER 226 Cb 0.00 0.61 -0.14 0.00 0.10 0.00 0.00 66.02 66.60 1a4g s SER 226 CO 0.00 -1.14 1.19 0.00 0.98 0.00 0.00 173.24 174.26 1a4g n ALA 227 N -0.38 0.41 -1.95 5.32 0.00 -1.26 -4.31 120.51 118.35 1a4g n ALA 227 Ca -0.06 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.50 1a4g n ALA 227 Cb 0.61 -2.14 0.16 0.00 0.00 0.00 0.00 19.45 18.09 1a4g n ALA 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a4g s ASN 229 N -4.84 1.16 -0.02 0.00 -0.87 -1.03 -4.67 114.94 104.67 1a4g s ASN 229 Ca 0.72 -0.10 0.02 0.00 -1.57 0.00 0.00 52.86 51.92 1a4g s ASN 229 Cb -0.04 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.25 40.73 1a4g s ASN 229 CO 0.50 -0.12 -0.03 0.00 -2.57 0.00 0.00 177.10 174.89 1a4g s ILE 231 N -0.99 -0.36 -1.67 0.00 2.07 0.23 -4.63 121.20 115.86 1a4g s ILE 231 Ca 0.17 0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.70 1a4g s ILE 231 Cb -0.11 -0.40 0.00 0.00 0.13 0.00 0.00 42.46 42.07 1a4g s ILE 231 CO 0.07 0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.82 1a4g n GLY 232 N 5.34 -0.08 0.96 1.50 0.00 -0.64 -1.16 105.19 111.11 1a4g n GLY 232 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1a4g n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4g n GLY 233 N -0.85 0.86 3.58 -0.02 0.00 -1.26 -4.99 105.19 102.51 1a4g n GLY 233 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1a4g n GLY 233 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a4g s ASP 234 N -2.76 5.76 -0.17 1.61 1.01 -0.31 -4.35 116.67 117.46 1a4g s ASP 234 Ca 0.00 -0.01 -0.04 0.00 0.71 0.00 0.00 52.55 53.21 1a4g s ASP 234 Cb 0.00 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.86 1a4g s ASP 234 CO 0.00 0.03 -0.02 0.00 0.21 0.00 0.00 175.17 175.39 1a4g s TYR 236 N 0.52 3.11 -0.06 0.00 1.51 0.57 -0.46 117.35 122.55 1a4g s TYR 236 Ca -0.02 0.12 -0.02 0.00 -1.01 0.00 0.00 57.07 56.14 1a4g s TYR 236 Cb -0.14 -1.71 0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1a4g s TYR 236 CO 0.02 0.46 0.12 -1.17 -1.11 0.00 0.00 175.55 173.88 1a4g s LEU 237 N -1.32 0.85 0.03 -1.29 2.96 -0.18 -2.46 118.68 117.26 1a4g s LEU 237 Ca 0.17 0.25 -0.28 0.00 -0.22 0.00 0.00 54.13 54.05 1a4g s LEU 237 Cb -0.11 0.29 -0.04 0.00 0.50 0.00 0.00 46.19 46.82 1a4g s LEU 237 CO 0.08 -0.14 0.89 -0.32 -1.32 0.00 0.00 176.35 175.54 1a4g s MET 238 N 1.07 4.57 0.14 1.98 -2.45 -1.26 -0.56 119.30 122.77 1a4g s MET 238 Ca -0.08 1.27 0.07 0.00 -1.25 0.00 0.00 55.69 55.70 1a4g s MET 238 Cb -0.11 -3.42 -0.04 0.00 1.25 0.00 0.00 34.83 32.52 1a4g s MET 238 CO -0.05 0.11 -0.16 0.96 1.05 0.00 0.00 175.02 176.92 1a4g s ILE 239 N 0.49 1.55 0.23 10.11 -4.36 -0.12 -3.71 121.20 125.39 1a4g s ILE 239 Ca 0.46 -1.77 -0.09 0.00 -0.26 0.00 0.00 60.65 58.99 1a4g s ILE 239 Cb -0.21 -1.64 -0.02 0.00 1.25 0.00 0.00 42.46 41.84 1a4g s ILE 239 CO 0.26 -0.33 0.37 0.28 0.24 0.00 0.00 174.94 175.75 1a4g s THR 240 N -1.98 0.00 -0.28 8.37 -1.32 -0.48 -0.86 115.64 119.09 1a4g s THR 240 Ca 0.11 -1.60 -0.22 0.00 -1.21 0.00 0.00 61.69 58.77 1a4g s THR 240 Cb -0.06 -2.31 0.12 0.00 -1.51 0.00 0.00 72.50 68.74 1a4g s THR 240 CO 0.04 0.00 0.93 -0.62 -2.21 0.00 0.00 174.62 172.77 1a4g s ASP 241 N -3.07 -0.57 0.00 8.08 -1.08 -1.26 -1.23 116.67 117.54 1a4g s ASP 241 Ca 0.28 1.02 0.00 0.00 -0.52 0.00 0.00 52.55 53.32 1a4g s ASP 241 Cb 0.02 1.11 0.00 0.00 -1.46 0.00 0.00 42.92 42.59 1a4g s ASP 241 CO 0.10 -0.17 0.00 0.61 0.52 0.00 0.00 175.17 176.23 1a4g n GLY 242 N 2.94 2.08 3.73 2.66 0.00 0.38 -3.64 105.19 113.33 1a4g n GLY 242 Ca -0.15 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1a4g n GLY 242 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a4g n SER 243 N 0.00 3.57 0.29 1.61 2.88 -0.87 -4.73 113.62 116.38 1a4g n SER 243 Ca 0.00 1.15 0.18 0.00 -1.33 0.00 0.00 58.87 58.87 1a4g n SER 243 Cb 0.00 -1.55 0.78 0.00 -0.75 0.00 0.00 64.21 62.69 1a4g n SER 243 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a4g h ALA 244 N 4.52 1.00 0.00 -1.46 0.00 -1.91 -2.18 119.26 119.22 1a4g h ALA 244 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1a4g h ALA 244 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1a4g h ALA 244 CO 0.77 0.00 -0.42 -1.13 0.00 0.00 0.00 179.25 178.48 1a4g n SER 245 N -3.07 1.81 0.00 0.00 3.41 -1.26 -3.84 113.62 110.67 1a4g n SER 245 Ca -0.00 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.87 1a4g n SER 245 Cb 0.26 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1a4g n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a4g n GLY 246 N -1.16 4.46 3.70 5.00 0.00 -0.82 -4.91 105.19 111.46 1a4g n GLY 246 Ca 0.18 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1a4g n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a4g s ILE 247 N 0.55 4.53 -0.35 -0.61 1.01 -1.26 -4.73 121.20 120.33 1a4g s ILE 247 Ca 0.00 1.82 0.01 0.00 0.00 0.00 0.00 60.65 62.48 1a4g s ILE 247 Cb 0.00 -4.17 0.14 0.00 0.01 0.00 0.00 42.46 38.45 1a4g s ILE 247 CO 0.00 0.08 0.27 -0.44 0.00 0.00 0.00 174.94 174.86 1a4g s SER 248 N 1.13 2.24 -0.44 3.58 0.01 -0.68 -2.04 113.70 117.50 1a4g s SER 248 Ca 0.54 -1.87 -0.25 0.00 1.31 0.00 0.00 55.95 55.68 1a4g s SER 248 Cb -0.23 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.03 1a4g s SER 248 CO 0.25 -0.30 0.88 -0.54 0.41 0.00 0.00 173.24 173.94 1a4g s LYS 249 N 1.29 3.55 0.85 12.44 1.02 -1.24 -1.87 119.74 135.78 1a4g s LYS 249 Ca 0.17 0.14 -0.12 0.00 0.02 0.00 0.00 55.97 56.19 1a4g s LYS 249 Cb -0.19 -3.91 0.10 0.00 -0.52 0.00 0.00 37.83 33.31 1a4g s LYS 249 CO -0.03 -1.15 1.12 0.00 -0.92 0.00 0.00 175.35 174.37 1a4g s ARG 251 N -5.22 0.67 -0.07 0.00 0.52 -0.04 -4.43 118.95 110.38 1a4g s ARG 251 Ca 0.62 -1.04 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 1a4g s ARG 251 Cb -0.15 0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.56 1a4g s ARG 251 CO 0.54 -0.16 -0.19 -0.06 0.02 0.00 0.00 175.30 175.44 1a4g s PHE 252 N -3.59 2.59 -0.13 -0.53 0.40 -0.50 -0.95 117.98 115.27 1a4g s PHE 252 Ca 0.04 -0.53 -0.06 0.00 -0.60 0.00 0.00 56.93 55.77 1a4g s PHE 252 Cb 0.05 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 1a4g s PHE 252 CO -0.09 -0.09 0.10 -0.51 0.70 0.00 0.00 175.22 175.33 1a4g s LEU 253 N -0.23 4.16 -0.27 -0.37 1.43 0.27 -0.80 118.68 122.86 1a4g s LEU 253 Ca -0.00 0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1a4g s LEU 253 Cb -0.13 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1a4g s LEU 253 CO 0.03 0.36 0.04 -0.75 0.23 0.00 0.00 176.35 176.26 1a4g s LYS 254 N -0.76 3.11 -0.10 1.70 2.20 -0.36 -1.01 119.74 124.51 1a4g s LYS 254 Ca 0.13 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 54.94 1a4g s LYS 254 Cb -0.12 -3.25 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1a4g s LYS 254 CO 0.03 -0.39 -0.21 0.42 -0.36 0.00 0.00 175.35 174.83 1a4g s ILE 255 N 1.47 2.32 -0.13 5.43 1.01 0.39 -0.50 121.20 131.19 1a4g s ILE 255 Ca 0.03 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 1a4g s ILE 255 Cb -0.17 -1.91 0.03 0.00 0.01 0.00 0.00 42.46 40.43 1a4g s ILE 255 CO 0.01 0.55 -0.07 -0.60 0.00 0.00 0.00 174.94 174.82 1a4g s ARG 256 N 0.28 1.53 -1.54 2.79 3.52 0.18 -0.79 118.95 124.92 1a4g s ARG 256 Ca -0.15 -0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 55.00 1a4g s ARG 256 Cb -0.17 -1.70 0.09 0.00 -1.56 0.00 0.00 34.95 31.60 1a4g s ARG 256 CO 0.08 -0.30 0.87 0.39 -0.81 0.00 0.00 175.30 175.52 1a4g n GLU 257 N 4.92 -4.78 -0.80 5.12 1.02 -1.26 -1.42 120.64 123.45 1a4g n GLU 257 Ca -0.12 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1a4g n GLU 257 Cb 0.49 -5.30 0.00 0.00 -0.02 0.00 0.00 31.44 26.62 1a4g n GLU 257 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a4g n GLY 258 N -1.64 0.73 3.21 0.62 0.00 -1.26 -4.88 105.19 101.97 1a4g n GLY 258 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1a4g n GLY 258 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a4g s ARG 259 N -0.20 2.26 -0.04 1.61 0.52 -0.51 -3.83 118.95 118.77 1a4g s ARG 259 Ca 0.00 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.13 1a4g s ARG 259 Cb 0.00 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.49 1a4g s ARG 259 CO 0.00 0.32 1.52 0.42 0.02 0.00 0.00 175.30 177.58 1a4g s ILE 260 N -0.06 3.65 -1.02 1.52 1.01 -1.26 -0.65 121.20 124.39 1a4g s ILE 260 Ca -0.04 0.92 0.11 0.00 0.00 0.00 0.00 60.65 61.64 1a4g s ILE 260 Cb -0.13 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1a4g s ILE 260 CO 0.03 -0.05 0.68 2.30 0.00 0.00 0.00 174.94 177.90 1a4g n ILE 261 N 5.10 0.00 -3.61 2.92 -5.35 0.34 -4.94 119.36 113.82 1a4g n ILE 261 Ca 0.15 -0.40 -0.09 0.00 -0.27 0.00 0.00 62.75 62.14 1a4g n ILE 261 Cb 0.43 1.14 -0.06 0.00 -1.74 0.00 0.00 39.64 39.41 1a4g n ILE 261 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1a4g s LYS 262 N -1.39 0.52 -0.12 6.28 2.20 -1.17 -5.00 119.74 121.06 1a4g s LYS 262 Ca 0.09 0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 56.02 1a4g s LYS 262 Cb 0.09 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1a4g s LYS 262 CO 0.26 -0.12 0.01 -1.21 -0.36 0.00 0.00 175.35 173.93 1a4g s GLU 263 N -0.43 3.32 -0.19 4.03 2.02 -1.26 -1.22 118.70 124.96 1a4g s GLU 263 Ca 0.01 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.60 1a4g s GLU 263 Cb -0.03 -2.90 0.04 0.00 0.10 0.00 0.00 34.13 31.34 1a4g s GLU 263 CO -0.03 0.53 -0.13 0.42 0.02 0.00 0.00 175.26 176.07 1a4g s ILE 264 N -0.39 1.77 -0.42 -1.63 1.01 0.02 -4.99 121.20 116.56 1a4g s ILE 264 Ca 0.08 -1.01 -0.16 0.00 0.00 0.00 0.00 60.65 59.55 1a4g s ILE 264 Cb -0.12 -1.77 0.03 0.00 0.01 0.00 0.00 42.46 40.60 1a4g s ILE 264 CO 0.02 0.26 0.39 -0.36 0.00 0.00 0.00 174.94 175.25 1a4g s PHE 265 N 1.35 3.20 0.89 3.97 0.08 -1.26 -1.42 117.98 124.79 1a4g s PHE 265 Ca -0.00 -0.51 -0.10 0.00 0.12 0.00 0.00 56.93 56.44 1a4g s PHE 265 Cb -0.16 -2.82 0.13 0.00 -0.57 0.00 0.00 43.02 39.60 1a4g s PHE 265 CO -0.09 -0.68 1.14 -2.14 -0.10 0.00 0.00 175.22 173.35 1a4g s PRO 266 N 1.94 1.25 0.21 0.24 0.02 -1.26 -4.68 135.00 132.71 1a4g s PRO 266 Ca 0.09 1.50 0.10 0.00 0.02 0.00 0.00 61.00 62.70 1a4g s PRO 266 Cb -0.18 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 1a4g s PRO 266 CO 0.12 -2.45 -0.13 0.99 -0.33 0.00 0.00 177.00 175.20 1a4g s THR 267 N -2.67 2.96 0.00 0.99 2.01 -0.78 -4.98 115.64 113.16 1a4g s THR 267 Ca 0.66 -1.87 0.00 0.00 0.31 0.00 0.00 61.69 60.79 1a4g s THR 267 Cb -0.22 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.80 1a4g s THR 267 CO 0.57 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 1a4g n GLY 268 N -0.14 1.01 3.53 4.40 0.00 -1.26 -1.13 105.19 111.60 1a4g n GLY 268 Ca -0.10 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1a4g n GLY 268 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a4g s ARG 269 N 0.00 3.42 0.00 1.61 3.00 0.39 -4.79 118.95 122.58 1a4g s ARG 269 Ca 0.00 -0.90 0.08 0.00 -1.00 0.00 0.00 55.73 53.91 1a4g s ARG 269 Cb 0.00 -4.82 0.09 0.00 0.00 0.00 0.00 34.95 30.22 1a4g s ARG 269 CO 0.00 -2.10 0.83 0.28 0.00 0.00 0.00 175.30 174.31 1a4g n VAL 270 N 6.46 0.17 0.26 7.11 0.31 -1.26 -4.47 118.33 126.91 1a4g n VAL 270 Ca 0.19 -0.59 0.12 0.00 -0.01 0.00 0.00 64.34 64.05 1a4g n VAL 270 Cb 0.50 1.06 0.69 0.00 -0.91 0.00 0.00 33.84 35.17 1a4g n VAL 270 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1a4g h GLU 271 N 1.58 0.00 -0.73 5.55 9.09 -1.87 -3.38 114.58 124.83 1a4g h GLU 271 Ca 0.00 0.00 0.14 0.00 0.05 0.00 0.00 59.36 59.55 1a4g h GLU 271 Cb 0.40 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 27.29 1a4g h GLU 271 CO 0.00 0.14 -0.13 -1.58 0.05 0.00 0.00 179.01 177.49 1a4g s HIS 272 N -4.13 -1.20 -0.06 2.06 5.04 -1.24 -1.69 115.29 114.07 1a4g s HIS 272 Ca -0.02 1.19 0.00 0.00 -1.54 0.00 0.00 55.06 54.69 1a4g s HIS 272 Cb 0.13 0.39 0.02 0.00 0.04 0.00 0.00 32.58 33.16 1a4g s HIS 272 CO 0.59 -0.66 -0.03 0.99 -2.34 0.00 0.00 174.74 173.29 1a4g s THR 273 N 2.90 0.54 0.21 0.89 2.01 -0.78 -4.35 115.64 117.05 1a4g s THR 273 Ca 0.13 -0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 1a4g s THR 273 Cb -0.12 -0.60 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 1a4g s THR 273 CO -0.18 0.25 0.41 -1.83 -0.69 0.00 0.00 174.62 172.58 1a4g s GLU 274 N 1.30 1.37 -1.54 4.92 -1.05 -0.35 -4.19 118.70 119.15 1a4g s GLU 274 Ca -0.05 -1.16 -0.07 0.00 -0.15 0.00 0.00 54.97 53.54 1a4g s GLU 274 Cb -0.14 0.44 0.06 0.00 -0.44 0.00 0.00 34.13 34.06 1a4g s GLU 274 CO -0.02 -0.55 0.51 0.39 0.95 0.00 0.00 175.26 176.54 1a4g n GLU 275 N -0.31 -2.93 -1.94 -4.83 1.02 -1.26 -0.39 120.64 110.00 1a4g n GLU 275 Ca -0.05 0.35 -0.41 0.00 -0.02 0.00 0.00 57.16 57.03 1a4g n GLU 275 Cb 0.62 -4.64 -0.01 0.00 -0.02 0.00 0.00 31.44 27.39 1a4g n GLU 275 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a4g s THR 277 N -0.60 4.21 0.29 0.00 2.01 -0.48 -4.70 115.64 116.37 1a4g s THR 277 Ca 0.56 -1.20 0.08 0.00 0.31 0.00 0.00 61.69 61.44 1a4g s THR 277 Cb -0.44 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1a4g s THR 277 CO 0.52 -0.36 0.11 0.00 -0.69 0.00 0.00 174.62 174.20 1a4g s GLY 279 N -3.79 -0.21 -0.11 0.00 0.00 -0.81 -4.92 107.32 97.48 1a4g s GLY 279 Ca 0.34 0.24 -0.15 0.00 0.00 0.00 0.00 44.72 45.16 1a4g s GLY 279 CO 0.22 3.42 0.36 -1.36 0.00 0.00 0.00 173.10 175.75 1a4g s PHE 280 N -2.17 3.54 -0.14 1.90 0.08 -1.26 -0.97 117.98 118.96 1a4g s PHE 280 Ca 0.23 0.76 0.19 0.00 0.12 0.00 0.00 56.93 58.24 1a4g s PHE 280 Cb 0.01 -2.37 -0.16 0.00 -0.57 0.00 0.00 43.02 39.93 1a4g s PHE 280 CO -0.01 0.33 0.72 0.00 -0.10 0.00 0.00 175.22 176.15 1a4g n ALA 281 N 3.15 2.18 -3.00 5.36 0.00 0.06 -4.71 120.51 123.55 1a4g n ALA 281 Ca -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1a4g n ALA 281 Cb 0.52 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1a4g n ALA 281 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a4g n SER 282 N -2.71 0.00 0.07 0.00 3.41 -1.19 -4.91 113.62 108.29 1a4g n SER 282 Ca -0.09 -1.00 0.11 0.00 -0.26 0.00 0.00 58.87 57.63 1a4g n SER 282 Cb 0.76 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 65.15 1a4g n SER 282 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a4g n ASN 283 N -0.45 0.39 -0.02 4.04 3.02 -1.26 -3.52 115.26 117.45 1a4g n ASN 283 Ca 0.00 0.57 0.05 0.00 -0.03 0.00 0.00 54.58 55.17 1a4g n ASN 283 Cb 0.00 -0.66 -0.12 0.00 -0.61 0.00 0.00 39.78 38.39 1a4g n ASN 283 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a4g n LYS 284 N -1.90 0.69 -4.42 3.52 4.76 -1.26 -4.86 118.16 114.69 1a4g n LYS 284 Ca 0.04 -0.12 -0.23 0.00 -2.87 0.00 0.00 58.31 55.14 1a4g n LYS 284 Cb 0.26 -1.37 -0.16 0.00 -1.84 0.00 0.00 35.03 31.92 1a4g n LYS 284 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1a4g s THR 285 N -2.93 0.90 -0.13 -0.18 2.01 -1.23 -0.39 115.64 113.68 1a4g s THR 285 Ca -0.06 -0.34 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 1a4g s THR 285 Cb 0.09 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1a4g s THR 285 CO 0.63 0.30 0.13 -0.63 -0.69 0.00 0.00 174.62 174.36 1a4g s ILE 286 N 0.74 5.43 0.10 1.82 1.01 -0.03 -0.76 121.20 129.51 1a4g s ILE 286 Ca -0.13 0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.78 1a4g s ILE 286 Cb -0.15 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1a4g s ILE 286 CO 0.02 0.59 -0.22 -1.61 0.00 0.00 0.00 174.94 173.73 1a4g s GLU 287 N -0.79 1.18 0.01 2.79 2.02 -0.14 -0.60 118.70 123.16 1a4g s GLU 287 Ca 0.14 -1.16 0.02 0.00 0.02 0.00 0.00 54.97 53.99 1a4g s GLU 287 Cb -0.12 -1.46 -0.01 0.00 0.10 0.00 0.00 34.13 32.64 1a4g s GLU 287 CO 0.03 0.34 -0.08 0.00 0.02 0.00 0.00 175.26 175.58 1a4g s ALA 289 N -0.45 2.69 0.31 0.00 0.00 -0.33 -1.40 121.76 122.58 1a4g s ALA 289 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1a4g s ALA 289 Cb -0.04 -1.56 -0.00 0.00 0.00 0.00 0.00 23.12 21.51 1a4g s ALA 289 CO 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 175.76 175.36 1a4g s ARG 291 N -3.12 3.08 -0.34 0.00 3.52 0.48 -3.88 118.95 118.70 1a4g s ARG 291 Ca 0.00 -0.70 -0.06 0.00 -0.13 0.00 0.00 55.73 54.84 1a4g s ARG 291 Cb 0.00 -2.53 0.04 0.00 -1.56 0.00 0.00 34.95 30.90 1a4g s ARG 291 CO 0.00 0.34 0.10 0.34 -0.81 0.00 0.00 175.30 175.27 1a4g s ASP 292 N 0.00 5.29 0.00 -2.12 -1.08 -1.26 -1.21 116.67 116.29 1a4g s ASP 292 Ca -0.04 -1.15 0.28 0.00 -0.52 0.00 0.00 52.55 51.12 1a4g s ASP 292 Cb -0.14 -1.86 1.10 0.00 -1.46 0.00 0.00 42.92 40.56 1a4g s ASP 292 CO 0.04 -0.32 1.81 -3.20 0.52 0.00 0.00 175.17 174.01 1a4g n ASN 293 N 4.80 0.27 -0.07 -0.34 5.15 -1.26 -4.47 115.26 119.34 1a4g n ASN 293 Ca -0.12 -0.09 -0.14 0.00 -0.60 0.00 0.00 54.58 53.63 1a4g n ASN 293 Cb 0.44 -0.17 -0.05 0.00 -0.53 0.00 0.00 39.78 39.48 1a4g n ASN 293 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1a4g n SER 294 N -1.29 1.45 -0.10 1.20 2.88 -1.25 -0.25 113.62 116.26 1a4g n SER 294 Ca 0.10 0.24 -0.11 0.00 -1.33 0.00 0.00 58.87 57.77 1a4g n SER 294 Cb 0.31 -0.57 -0.13 0.00 -0.75 0.00 0.00 64.21 63.07 1a4g n SER 294 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1a4g n TYR 295 N -3.96 0.00 -4.07 0.66 4.01 -1.25 -2.99 117.16 109.57 1a4g n TYR 295 Ca -0.24 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.42 1a4g n TYR 295 Cb 0.57 -0.91 -0.09 0.00 -0.31 0.00 0.00 39.34 38.60 1a4g n TYR 295 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1a4g s THR 296 N -2.45 0.17 -1.30 -0.72 -1.32 -1.22 -4.38 115.64 104.42 1a4g s THR 296 Ca -0.16 -1.73 0.23 0.00 -1.21 0.00 0.00 61.69 58.82 1a4g s THR 296 Cb 0.06 -1.66 -0.09 0.00 -1.51 0.00 0.00 72.50 69.30 1a4g s THR 296 CO 0.69 -0.76 1.10 0.00 -2.21 0.00 0.00 174.62 173.44 1a4g n ALA 297 N 0.01 4.11 -1.80 11.08 0.00 -1.26 -4.62 120.51 128.03 1a4g n ALA 297 Ca -0.11 -0.54 -0.35 0.00 0.00 0.00 0.00 53.44 52.43 1a4g n ALA 297 Cb 0.62 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 19.13 1a4g n ALA 297 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a4g s LYS 298 N -2.84 4.39 -0.05 0.00 1.02 -1.26 -2.62 119.74 118.38 1a4g s LYS 298 Ca 0.12 1.22 -0.22 0.00 0.02 0.00 0.00 55.97 57.11 1a4g s LYS 298 Cb 0.17 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.97 1a4g s LYS 298 CO 0.74 0.11 0.66 1.03 -0.92 0.00 0.00 175.35 176.97 1a4g s ARG 299 N -2.66 4.41 0.18 1.68 0.52 -1.26 -4.65 118.95 117.17 1a4g s ARG 299 Ca 0.57 0.82 -0.33 0.00 -0.52 0.00 0.00 55.73 56.26 1a4g s ARG 299 Cb -0.14 -3.42 -0.13 0.00 0.52 0.00 0.00 34.95 31.78 1a4g s ARG 299 CO 0.18 0.15 1.60 -2.30 0.02 0.00 0.00 175.30 174.94 1a4g n PRO 300 N 3.50 2.29 -4.07 3.54 -0.02 -1.25 -1.13 135.00 137.85 1a4g n PRO 300 Ca -0.03 0.82 -0.33 0.00 -2.02 0.00 0.00 63.50 61.95 1a4g n PRO 300 Cb 0.51 -2.60 -0.15 0.00 -0.02 0.00 0.00 33.50 31.24 1a4g n PRO 300 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1a4g s PHE 301 N 0.86 3.08 -0.11 6.00 2.19 0.56 -0.88 117.98 129.68 1a4g s PHE 301 Ca 0.77 -2.02 -0.11 0.00 0.33 0.00 0.00 56.93 55.90 1a4g s PHE 301 Cb -0.64 -1.94 -0.05 0.00 -1.31 0.00 0.00 43.02 39.09 1a4g s PHE 301 CO 0.38 -0.84 0.24 0.08 1.83 0.00 0.00 175.22 176.90 1a4g s VAL 302 N 1.19 5.34 -0.17 3.12 1.01 -0.49 -2.17 120.40 128.22 1a4g s VAL 302 Ca -0.03 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1a4g s VAL 302 Cb -0.17 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1a4g s VAL 302 CO -0.08 0.53 -0.13 -0.54 0.00 0.00 0.00 175.10 174.89 1a4g s LYS 303 N -0.50 2.24 -0.17 2.72 1.02 -0.54 -0.87 119.74 123.64 1a4g s LYS 303 Ca 0.16 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 1a4g s LYS 303 Cb -0.13 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.92 1a4g s LYS 303 CO 0.05 -0.31 -0.12 -1.17 -0.92 0.00 0.00 175.35 172.88 1a4g s LEU 304 N 1.44 2.63 -0.33 3.17 0.20 0.23 -1.52 118.68 124.49 1a4g s LEU 304 Ca 0.03 -0.42 -0.20 0.00 0.69 0.00 0.00 54.13 54.22 1a4g s LEU 304 Cb -0.14 -1.62 -0.00 0.00 -0.43 0.00 0.00 46.19 44.00 1a4g s LEU 304 CO -0.10 0.07 0.61 0.21 -0.29 0.00 0.00 176.35 176.85 1a4g s ASN 305 N 0.92 6.43 0.33 3.68 3.84 0.04 -0.85 114.94 129.33 1a4g s ASN 305 Ca -0.03 0.23 0.15 0.00 0.21 0.00 0.00 52.86 53.42 1a4g s ASN 305 Cb -0.15 -2.32 0.53 0.00 -0.55 0.00 0.00 41.25 38.76 1a4g s ASN 305 CO -0.01 -0.53 1.68 0.58 -2.79 0.00 0.00 177.10 176.03 1a4g h VAL 306 N 5.61 1.14 0.05 -5.21 2.07 -1.01 0.12 116.25 119.02 1a4g h VAL 306 Ca -0.27 -1.80 -0.25 0.00 0.82 0.00 0.00 66.70 65.20 1a4g h VAL 306 Cb 1.12 2.03 0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1a4g h VAL 306 CO 0.81 0.48 -1.08 -0.33 0.02 0.00 0.00 177.57 177.47 1a4g h GLU 307 N 0.00 0.43 0.00 1.57 5.08 -1.89 -3.31 114.58 116.46 1a4g h GLU 307 Ca -0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1a4g h GLU 307 Cb 0.99 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1a4g h GLU 307 CO 0.06 1.20 -1.40 0.25 -1.00 0.00 0.00 179.01 178.12 1a4g n THR 308 N -3.71 0.03 -3.40 1.13 -2.24 -1.23 -5.00 114.28 99.86 1a4g n THR 308 Ca -0.09 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.28 1a4g n THR 308 Cb 0.91 0.46 0.08 0.00 -2.10 0.00 0.00 70.33 69.67 1a4g n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1a4g n ASP 309 N -1.89 -3.72 -4.13 3.42 8.00 0.38 -5.04 116.55 113.57 1a4g n ASP 309 Ca 0.00 -0.69 -0.18 0.00 0.71 0.00 0.00 54.79 54.64 1a4g n ASP 309 Cb 0.44 -4.98 -0.13 0.00 -0.02 0.00 0.00 41.12 36.43 1a4g n ASP 309 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a4g s THR 310 N -3.41 0.98 0.09 -3.53 -4.23 -1.03 -4.85 115.64 99.67 1a4g s THR 310 Ca 0.18 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1a4g s THR 310 Cb -0.03 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.85 1a4g s THR 310 CO 0.75 -0.13 -0.11 0.00 -0.54 0.00 0.00 174.62 174.58 1a4g s ALA 311 N -1.04 1.14 0.00 3.99 0.00 -1.26 -0.78 121.76 123.81 1a4g s ALA 311 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1a4g s ALA 311 Cb -0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 1a4g s ALA 311 CO 0.01 0.01 -0.00 -2.00 0.00 0.00 0.00 175.76 173.78 1a4g s GLU 312 N -2.58 0.04 -0.04 0.00 2.12 -0.58 -1.87 118.70 115.80 1a4g s GLU 312 Ca 0.04 -0.08 0.06 0.00 0.36 0.00 0.00 54.97 55.35 1a4g s GLU 312 Cb -0.04 0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.35 1a4g s GLU 312 CO 0.01 -0.01 -0.22 0.42 -0.54 0.00 0.00 175.26 174.92 1a4g s ILE 313 N -0.19 1.80 0.05 -3.70 1.01 -0.29 -1.46 121.20 118.41 1a4g s ILE 313 Ca -0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 1a4g s ILE 313 Cb -0.01 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.94 1a4g s ILE 313 CO -0.00 0.51 0.20 -0.13 0.00 0.00 0.00 174.94 175.52 1a4g s ARG 314 N -0.18 0.73 0.40 2.79 1.81 -0.92 -0.46 118.95 123.12 1a4g s ARG 314 Ca -0.01 -0.69 -0.25 0.00 -1.72 0.00 0.00 55.73 53.06 1a4g s ARG 314 Cb -0.12 0.30 -0.08 0.00 -0.45 0.00 0.00 34.95 34.60 1a4g s ARG 314 CO 0.02 -0.22 1.15 -0.51 -0.68 0.00 0.00 175.30 175.06 1a4g s LEU 315 N -2.25 4.17 0.18 2.53 1.43 -1.26 -0.33 118.68 123.15 1a4g s LEU 315 Ca -0.03 2.30 -0.31 0.00 -1.03 0.00 0.00 54.13 55.06 1a4g s LEU 315 Cb 0.00 -4.06 -0.10 0.00 0.03 0.00 0.00 46.19 42.07 1a4g s LEU 315 CO -0.05 -0.66 1.50 -0.04 0.23 0.00 0.00 176.35 177.32 1a4g s MET 316 N -2.35 4.25 0.09 1.70 -1.94 -0.29 -4.49 119.30 116.27 1a4g s MET 316 Ca 0.58 2.29 0.25 0.00 -1.71 0.00 0.00 55.69 57.09 1a4g s MET 316 Cb -0.29 -3.16 0.57 0.00 2.01 0.00 0.00 34.83 33.95 1a4g s MET 316 CO 0.37 -0.52 1.49 0.00 -0.01 0.00 0.00 175.02 176.34 1a4g n THR 318 N -1.90 1.86 0.35 0.00 5.66 -0.92 -4.23 114.28 115.10 1a4g n THR 318 Ca 0.05 -0.47 0.13 0.00 -3.05 0.00 0.00 64.05 60.71 1a4g n THR 318 Cb 0.40 -1.41 0.55 0.00 -1.55 0.00 0.00 70.33 68.32 1a4g n THR 318 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1a4g h GLU 319 N 2.61 0.00 -5.79 1.09 4.11 -1.26 -3.36 114.58 111.98 1a4g h GLU 319 Ca -0.44 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.32 1a4g h GLU 319 Cb 1.30 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.45 1a4g h GLU 319 CO 0.64 0.00 1.89 0.99 0.07 0.00 0.00 179.01 182.59 1a4g s THR 320 N -3.42 4.17 0.11 -1.06 2.01 -1.26 -2.32 115.64 113.87 1a4g s THR 320 Ca 0.03 -1.66 -0.31 0.00 0.31 0.00 0.00 61.69 60.06 1a4g s THR 320 Cb 0.09 -5.12 -0.09 0.00 0.01 0.00 0.00 72.50 67.39 1a4g s THR 320 CO 0.39 -1.95 1.66 -0.31 -0.69 0.00 0.00 174.62 173.72 1a4g s TYR 321 N 4.13 2.58 -1.62 4.92 2.02 -1.26 -4.90 117.35 123.22 1a4g s TYR 321 Ca 0.50 0.36 0.26 0.00 -0.37 0.00 0.00 57.07 57.82 1a4g s TYR 321 Cb 0.02 -3.99 0.64 0.00 -0.40 0.00 0.00 41.96 38.23 1a4g s TYR 321 CO 0.02 -3.90 1.49 1.28 -1.57 0.00 0.00 175.55 172.87 1a4g n LEU 322 N 5.10 1.00 -4.95 -1.29 4.77 -1.25 -4.96 117.00 115.42 1a4g n LEU 322 Ca 0.16 -0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.65 1a4g n LEU 322 Cb 0.39 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1a4g n LEU 322 CO 0.63 0.19 0.44 -0.62 -1.33 0.00 0.00 177.39 176.70 1a4g s ASP 323 N -2.60 5.29 -0.05 -1.43 2.15 -1.08 -4.68 116.67 114.28 1a4g s ASP 323 Ca 0.21 0.26 0.01 0.00 0.43 0.00 0.00 52.55 53.46 1a4g s ASP 323 Cb 0.19 -1.16 0.02 0.00 -0.30 0.00 0.00 42.92 41.67 1a4g s ASP 323 CO 0.56 -1.18 -0.05 -0.89 -0.17 0.00 0.00 175.17 173.45 1a4g s THR 324 N -2.89 0.57 0.93 1.71 2.01 -1.26 -4.09 115.64 112.62 1a4g s THR 324 Ca 0.56 -0.12 -0.12 0.00 0.31 0.00 0.00 61.69 62.32 1a4g s THR 324 Cb -0.10 -0.61 0.15 0.00 0.01 0.00 0.00 72.50 71.95 1a4g s THR 324 CO 0.41 0.24 1.09 -2.16 -0.69 0.00 0.00 174.62 173.51 1a4g s PRO 325 N 1.05 0.97 0.06 4.92 0.04 -1.26 -2.81 135.00 137.97 1a4g s PRO 325 Ca -0.09 0.90 -0.21 0.00 0.04 0.00 0.00 61.00 61.65 1a4g s PRO 325 Cb -0.14 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.68 1a4g s PRO 325 CO -0.01 -2.46 0.48 -0.98 0.04 0.00 0.00 177.00 174.07 1a4g s ARG 326 N -4.85 1.01 0.96 4.56 1.70 -0.38 -4.72 118.95 117.24 1a4g s ARG 326 Ca 0.64 -0.32 -0.16 0.00 -0.47 0.00 0.00 55.73 55.43 1a4g s ARG 326 Cb -0.19 0.46 0.19 0.00 -0.57 0.00 0.00 34.95 34.83 1a4g s ARG 326 CO 0.58 -0.37 1.29 -1.25 -1.08 0.00 0.00 175.30 174.47 1a4g s PRO 327 N -2.62 0.71 0.58 3.89 0.04 -1.26 -4.75 135.00 131.59 1a4g s PRO 327 Ca -0.04 -0.30 -0.20 0.00 0.04 0.00 0.00 61.00 60.49 1a4g s PRO 327 Cb -0.00 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1a4g s PRO 327 CO -0.03 -2.38 1.32 -0.51 0.04 0.00 0.00 177.00 175.43 1a4g s ASP 328 N -4.77 5.09 0.21 6.66 1.01 -1.26 -4.88 116.67 118.73 1a4g s ASP 328 Ca 0.72 2.67 -0.32 0.00 0.71 0.00 0.00 52.55 56.33 1a4g s ASP 328 Cb -0.05 -2.63 -0.13 0.00 1.01 0.00 0.00 42.92 41.12 1a4g s ASP 328 CO 0.53 -1.68 1.57 0.47 0.21 0.00 0.00 175.17 176.26 1a4g n ASP 329 N -1.32 3.34 0.00 0.27 8.00 -1.26 -1.84 116.55 123.73 1a4g n ASP 329 Ca 0.12 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.73 1a4g n ASP 329 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1a4g n ASP 329 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a4g n GLY 330 N 3.02 0.74 0.00 0.44 0.00 -0.98 -4.91 105.19 103.50 1a4g n GLY 330 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1a4g n GLY 330 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a4g n SER 331 N 0.00 0.29 -4.46 1.61 3.41 -0.76 -4.60 113.62 109.11 1a4g n SER 331 Ca 0.00 0.09 -0.43 0.00 -0.26 0.00 0.00 58.87 58.27 1a4g n SER 331 Cb 0.00 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 1a4g n SER 331 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1a4g s ILE 332 N -3.01 4.36 0.83 -1.33 1.01 -1.26 -4.99 121.20 116.81 1a4g s ILE 332 Ca 0.12 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 1a4g s ILE 332 Cb 0.18 -4.73 0.09 0.00 0.01 0.00 0.00 42.46 38.01 1a4g s ILE 332 CO 0.63 -1.51 1.09 -0.89 0.00 0.00 0.00 174.94 174.26 1a4g s THR 333 N 3.90 3.00 0.00 2.92 2.01 -1.26 -4.97 115.64 121.23 1a4g s THR 333 Ca 0.26 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.58 1a4g s THR 333 Cb -0.13 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1a4g s THR 333 CO 0.05 -0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.17 1a4g n GLY 334 N -1.28 -2.48 3.68 4.40 0.00 -1.26 -4.82 105.19 103.43 1a4g n GLY 334 Ca 0.08 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1a4g n GLY 334 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a4g s PRO 335 N -0.40 1.12 0.44 1.61 0.04 -1.26 -4.86 135.00 131.69 1a4g s PRO 335 Ca 0.00 1.23 0.32 0.00 0.04 0.00 0.00 61.00 62.59 1a4g s PRO 335 Cb 0.00 -1.76 1.48 0.00 0.04 0.00 0.00 34.50 34.26 1a4g s PRO 335 CO 0.00 -2.45 1.55 0.00 0.04 0.00 0.00 177.00 176.14 1a4g n GLU 337 N -4.70 1.37 -1.71 0.00 0.00 -1.26 -4.65 120.64 109.69 1a4g n GLU 337 Ca 0.40 -0.58 -0.43 0.00 0.00 0.00 0.00 57.16 56.55 1a4g n GLU 337 Cb 1.56 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 31.48 1a4g n GLU 337 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1a4g n SER 338 N -0.31 3.94 -0.05 -1.84 7.64 -0.43 -4.91 113.62 117.65 1a4g n SER 338 Ca 0.20 1.04 -0.12 0.00 1.01 0.00 0.00 58.87 61.00 1a4g n SER 338 Cb 0.27 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 61.85 1a4g n SER 338 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1a4g h ASN 339 N 7.26 0.28 -2.72 6.43 2.35 -1.90 -3.49 115.58 123.80 1a4g h ASN 339 Ca -0.44 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 1a4g h ASN 339 Cb 1.21 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1a4g h ASN 339 CO 0.95 0.55 0.00 0.61 -1.65 0.00 0.00 177.43 177.89 1a4g n GLY 340 N -0.22 -1.91 3.90 2.83 0.00 -1.26 -4.27 105.19 104.25 1a4g n GLY 340 Ca -0.05 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 1a4g n GLY 340 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a4g s ASP 341 N -4.00 6.48 -1.36 1.61 2.15 -1.26 -4.56 116.67 115.73 1a4g s ASP 341 Ca 0.00 0.80 -0.07 0.00 0.43 0.00 0.00 52.55 53.71 1a4g s ASP 341 Cb 0.00 -2.18 0.02 0.00 -0.30 0.00 0.00 42.92 40.47 1a4g s ASP 341 CO 0.00 -0.20 1.02 0.29 -0.17 0.00 0.00 175.17 176.11 1a4g n LYS 342 N -0.85 -6.59 0.08 4.34 5.02 -1.26 -4.23 118.16 114.67 1a4g n LYS 342 Ca -0.01 0.74 -0.02 0.00 -2.02 0.00 0.00 58.31 57.00 1a4g n LYS 342 Cb 0.54 -5.67 -0.06 0.00 -0.02 0.00 0.00 35.03 29.82 1a4g n LYS 342 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1a4g h GLY 343 N -2.25 0.00 -3.41 0.72 0.00 -1.80 -3.38 103.07 92.95 1a4g h GLY 343 Ca -0.58 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.26 1a4g h GLY 343 CO 0.58 0.00 0.41 -1.60 0.00 0.00 0.00 176.54 175.93 1a4g s ARG 344 N -2.83 4.56 0.00 4.80 6.06 -1.16 -3.42 118.95 126.96 1a4g s ARG 344 Ca 0.01 1.59 0.00 0.00 -2.50 0.00 0.00 55.73 54.83 1a4g s ARG 344 Cb 0.09 -2.98 0.00 0.00 0.06 0.00 0.00 34.95 32.11 1a4g s ARG 344 CO 0.79 0.20 0.00 0.41 -2.50 0.00 0.00 175.30 174.20 1a4g n GLY 345 N 0.94 0.01 0.00 8.12 0.00 0.65 -4.60 105.19 110.32 1a4g n GLY 345 Ca 0.01 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1a4g n GLY 345 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4g n GLY 346 N 0.15 -1.28 3.39 -0.02 0.00 -1.12 -4.36 105.19 101.95 1a4g n GLY 346 Ca 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 1a4g n GLY 346 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1a4g s ILE 347 N -2.29 0.03 0.19 -0.61 2.07 -1.22 -4.76 121.20 114.60 1a4g s ILE 347 Ca 0.00 -0.22 -0.29 0.00 -1.41 0.00 0.00 60.65 58.74 1a4g s ILE 347 Cb 0.00 -0.83 -0.08 0.00 0.13 0.00 0.00 42.46 41.68 1a4g s ILE 347 CO 0.00 -0.12 0.89 -0.75 -1.91 0.00 0.00 174.94 173.05 1a4g s LYS 348 N -1.31 4.74 0.07 3.50 2.20 -1.26 -4.69 119.74 122.98 1a4g s LYS 348 Ca -0.12 1.37 0.07 0.00 -0.36 0.00 0.00 55.97 56.93 1a4g s LYS 348 Cb -0.02 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 1a4g s LYS 348 CO 0.07 0.47 -0.18 0.20 -0.36 0.00 0.00 175.35 175.54 1a4g s GLY 349 N -0.91 1.05 0.46 5.54 0.00 -1.24 -2.40 107.32 109.82 1a4g s GLY 349 Ca 0.40 -1.06 -0.23 0.00 0.00 0.00 0.00 44.72 43.83 1a4g s GLY 349 CO 0.30 -1.04 1.20 -0.32 0.00 0.00 0.00 173.10 173.23 1a4g s GLY 350 N -1.49 2.81 -0.29 0.20 0.00 -0.99 -4.54 107.32 103.02 1a4g s GLY 350 Ca 0.05 1.01 -0.15 0.00 0.00 0.00 0.00 44.72 45.62 1a4g s GLY 350 CO 0.03 1.49 0.77 -0.12 0.00 0.00 0.00 173.10 175.26 1a4g s PHE 351 N -1.48 -0.97 -0.02 1.90 5.36 -1.26 -2.56 117.98 118.96 1a4g s PHE 351 Ca 0.63 1.87 -0.18 0.00 -0.96 0.00 0.00 56.93 58.29 1a4g s PHE 351 Cb -0.31 0.58 0.03 0.00 -0.34 0.00 0.00 43.02 42.98 1a4g s PHE 351 CO 0.38 -0.48 0.38 0.54 -1.46 0.00 0.00 175.22 174.58 1a4g s VAL 352 N 1.79 0.05 0.02 3.12 0.11 -0.61 -3.63 120.40 121.24 1a4g s VAL 352 Ca -0.09 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1a4g s VAL 352 Cb -0.06 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1a4g s VAL 352 CO -0.18 -0.21 0.18 -1.00 -3.33 0.00 0.00 175.10 170.55 1a4g s HIS 353 N -1.30 3.50 -0.37 1.54 0.09 -1.26 -1.58 115.29 115.91 1a4g s HIS 353 Ca -0.13 0.30 0.04 0.00 -0.00 0.00 0.00 55.06 55.26 1a4g s HIS 353 Cb -0.04 -1.79 0.10 0.00 -0.00 0.00 0.00 32.58 30.85 1a4g s HIS 353 CO 0.05 0.62 0.09 -1.14 -0.00 0.00 0.00 174.74 174.35 1a4g s GLN 354 N -2.11 1.57 -0.18 1.40 0.74 -0.21 -4.66 119.66 116.21 1a4g s GLN 354 Ca 0.29 -1.98 -0.22 0.00 0.05 0.00 0.00 55.36 53.50 1a4g s GLN 354 Cb -0.13 -3.24 -0.02 0.00 1.10 0.00 0.00 33.01 30.72 1a4g s GLN 354 CO 0.21 -0.97 0.68 1.03 -0.55 0.00 0.00 175.29 175.69 1a4g s ARG 355 N 0.75 4.25 0.38 1.67 0.52 -1.26 -0.60 118.95 124.66 1a4g s ARG 355 Ca 0.12 0.73 0.07 0.00 -0.52 0.00 0.00 55.73 56.13 1a4g s ARG 355 Cb -0.20 -3.57 -0.07 0.00 0.52 0.00 0.00 34.95 31.63 1a4g s ARG 355 CO -0.07 -0.23 -0.01 -1.64 0.02 0.00 0.00 175.30 173.37 1a4g s MET 356 N 1.87 1.87 0.25 3.54 -1.94 -0.64 -1.05 119.30 123.21 1a4g s MET 356 Ca 0.32 -2.04 -0.04 0.00 -1.71 0.00 0.00 55.69 52.22 1a4g s MET 356 Cb -0.16 -1.54 0.38 0.00 2.01 0.00 0.00 34.83 35.52 1a4g s MET 356 CO 0.11 -0.02 1.85 0.00 -0.01 0.00 0.00 175.02 176.95 1a4g h ALA 357 N 1.89 1.26 0.00 3.03 0.00 -1.98 -3.29 119.26 120.17 1a4g h ALA 357 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1a4g h ALA 357 Cb 1.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1a4g h ALA 357 CO 0.77 0.28 -0.26 -1.13 0.00 0.00 0.00 179.25 178.91 1a4g n SER 358 N -4.61 1.00 -3.69 0.00 3.41 -1.26 -5.06 113.62 103.40 1a4g n SER 358 Ca 0.14 -2.39 -0.15 0.00 -0.26 0.00 0.00 58.87 56.21 1a4g n SER 358 Cb 0.21 -0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 1a4g n SER 358 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1a4g s LYS 359 N -1.17 0.77 -0.06 4.33 2.20 -1.24 -5.09 119.74 119.48 1a4g s LYS 359 Ca 0.13 -0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.71 1a4g s LYS 359 Cb 0.11 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.79 1a4g s LYS 359 CO 0.01 -0.22 -0.11 0.42 -0.36 0.00 0.00 175.35 175.09 1a4g s ILE 360 N -1.25 1.01 -0.12 5.43 1.01 -1.26 -1.61 121.20 124.40 1a4g s ILE 360 Ca -0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 1a4g s ILE 360 Cb -0.04 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1a4g s ILE 360 CO 0.06 0.32 0.03 -0.83 0.00 0.00 0.00 174.94 174.52 1a4g s GLY 361 N 0.60 1.89 -0.20 6.18 0.00 0.23 -0.79 107.32 115.24 1a4g s GLY 361 Ca -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1a4g s GLY 361 CO 0.03 -0.33 -0.15 0.50 0.00 0.00 0.00 173.10 173.14 1a4g s ARG 362 N -0.45 2.54 -0.11 2.90 0.52 -0.16 -1.05 118.95 123.14 1a4g s ARG 362 Ca 0.09 -0.95 -0.03 0.00 -0.52 0.00 0.00 55.73 54.32 1a4g s ARG 362 Cb -0.12 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 1a4g s ARG 362 CO 0.02 -0.35 0.00 -1.58 0.02 0.00 0.00 175.30 173.41 1a4g s TRP 363 N 1.27 3.15 0.04 -0.53 0.52 -0.61 -1.41 118.94 121.37 1a4g s TRP 363 Ca -0.00 0.10 -0.01 0.00 0.02 0.00 0.00 56.10 56.20 1a4g s TRP 363 Cb -0.16 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 1a4g s TRP 363 CO -0.10 0.35 -0.01 0.71 0.02 0.00 0.00 176.95 177.92 1a4g s TYR 364 N -0.52 0.38 0.09 -1.98 1.51 0.32 -1.57 117.35 115.58 1a4g s TYR 364 Ca 0.09 -0.79 0.07 0.00 -1.01 0.00 0.00 57.07 55.42 1a4g s TYR 364 Cb -0.12 -0.28 -0.03 0.00 -0.11 0.00 0.00 41.96 41.42 1a4g s TYR 364 CO 0.02 -0.31 -0.17 -1.54 -1.11 0.00 0.00 175.55 172.44 1a4g s SER 365 N -2.29 2.07 0.11 2.29 1.04 -1.06 -0.30 113.70 115.56 1a4g s SER 365 Ca -0.03 -0.66 -0.14 0.00 0.48 0.00 0.00 55.95 55.60 1a4g s SER 365 Cb 0.00 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.06 1a4g s SER 365 CO -0.06 -0.02 0.33 0.00 0.98 0.00 0.00 173.24 174.47 1a4g s ARG 366 N -1.88 0.98 0.82 4.02 1.70 -0.82 -4.11 118.95 119.67 1a4g s ARG 366 Ca 0.02 -0.77 -0.11 0.00 -0.47 0.00 0.00 55.73 54.41 1a4g s ARG 366 Cb -0.10 0.42 0.09 0.00 -0.57 0.00 0.00 34.95 34.80 1a4g s ARG 366 CO 0.03 -0.36 1.14 0.95 -1.08 0.00 0.00 175.30 175.98 1a4g s THR 367 N -3.72 2.55 0.07 4.99 -4.23 -1.26 -0.82 115.64 113.22 1a4g s THR 367 Ca 0.03 0.20 -0.06 0.00 -1.18 0.00 0.00 61.69 60.68 1a4g s THR 367 Cb 0.03 -2.49 -0.29 0.00 1.34 0.00 0.00 72.50 71.10 1a4g s THR 367 CO -0.11 -0.22 1.14 -0.03 -0.54 0.00 0.00 174.62 174.86 1a4g h MET 368 N -1.26 0.33 -6.85 3.99 4.05 -1.22 -3.43 114.93 110.54 1a4g h MET 368 Ca -0.44 -0.54 -0.48 0.00 -0.28 0.00 0.00 59.70 57.95 1a4g h MET 368 Cb 1.26 0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 32.26 1a4g h MET 368 CO 0.47 1.25 0.39 0.45 0.23 0.00 0.00 176.91 179.70 1a4g s SER 369 N -7.22 7.26 0.32 1.39 0.15 -0.69 -4.94 113.70 109.97 1a4g s SER 369 Ca -0.05 2.01 0.17 0.00 0.70 0.00 0.00 55.95 58.78 1a4g s SER 369 Cb 0.07 -2.60 0.23 0.00 -1.71 0.00 0.00 66.02 62.01 1a4g s SER 369 CO 0.89 -0.13 1.52 0.11 1.20 0.00 0.00 173.24 176.84 1a4g h LYS 370 N 3.39 0.00 0.00 5.44 1.57 -1.90 -3.39 116.57 121.69 1a4g h LYS 370 Ca -0.47 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 1a4g h LYS 370 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1a4g h LYS 370 CO 0.65 0.41 -1.27 0.25 -0.57 0.00 0.00 179.45 178.92 1a4g n THR 371 N -3.25 0.15 -4.51 -0.16 -2.24 -1.26 -1.24 114.28 101.77 1a4g n THR 371 Ca 0.02 -0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.40 1a4g n THR 371 Cb 0.66 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 1a4g n THR 371 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1a4g s GLU 372 N -2.23 1.76 -1.46 -0.78 2.02 -1.26 -4.48 118.70 112.26 1a4g s GLU 372 Ca -0.02 -1.86 -0.10 0.00 0.02 0.00 0.00 54.97 53.01 1a4g s GLU 372 Cb 0.02 -1.74 0.03 0.00 0.10 0.00 0.00 34.13 32.54 1a4g s GLU 372 CO 0.20 0.23 2.45 0.54 0.02 0.00 0.00 175.26 178.70 1a4g n ARG 373 N -0.72 3.59 -4.60 1.61 1.74 -1.26 -4.29 116.66 112.73 1a4g n ARG 373 Ca -0.05 -2.77 -0.24 0.00 -0.77 0.00 0.00 57.85 54.02 1a4g n ARG 373 Cb 0.62 -2.94 -0.16 0.00 -1.02 0.00 0.00 32.46 28.96 1a4g n ARG 373 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1a4g s MET 374 N 1.59 1.52 0.14 5.56 -1.94 -1.25 -1.17 119.30 123.77 1a4g s MET 374 Ca 0.55 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 54.10 1a4g s MET 374 Cb 0.15 -1.31 0.00 0.00 2.01 0.00 0.00 34.83 35.69 1a4g s MET 374 CO -0.06 0.11 0.00 0.41 -0.01 0.00 0.00 175.02 175.46 1a4g n GLY 375 N 3.50 -1.72 3.58 -0.03 0.00 0.10 -1.29 105.19 109.33 1a4g n GLY 375 Ca -0.20 -1.38 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 1a4g n GLY 375 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a4g s MET 376 N -1.77 0.40 0.10 1.61 1.75 -0.09 -3.45 119.30 117.84 1a4g s MET 376 Ca 0.00 0.77 0.09 0.00 -1.25 0.00 0.00 55.69 55.30 1a4g s MET 376 Cb 0.00 0.22 -0.03 0.00 2.84 0.00 0.00 34.83 37.85 1a4g s MET 376 CO 0.00 -0.10 -0.23 -1.21 -0.65 0.00 0.00 175.02 172.83 1a4g s GLU 377 N 1.74 1.27 0.06 4.11 2.02 -0.00 -0.79 118.70 127.10 1a4g s GLU 377 Ca -0.07 -1.18 -0.08 0.00 0.02 0.00 0.00 54.97 53.66 1a4g s GLU 377 Cb -0.05 -1.57 -0.05 0.00 0.10 0.00 0.00 34.13 32.55 1a4g s GLU 377 CO -0.16 0.38 0.35 -1.17 0.02 0.00 0.00 175.26 174.67 1a4g s LEU 378 N -1.82 4.34 0.02 1.80 0.20 -0.26 -1.94 118.68 121.02 1a4g s LEU 378 Ca 0.09 0.68 -0.03 0.00 0.69 0.00 0.00 54.13 55.56 1a4g s LEU 378 Cb -0.10 -2.93 -0.01 0.00 -0.43 0.00 0.00 46.19 42.72 1a4g s LEU 378 CO 0.04 0.18 0.03 -0.31 -0.29 0.00 0.00 176.35 176.00 1a4g s TYR 379 N -1.40 0.19 0.03 5.38 2.02 0.59 -0.53 117.35 123.63 1a4g s TYR 379 Ca 0.32 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.60 1a4g s TYR 379 Cb -0.13 -0.14 -0.02 0.00 -0.40 0.00 0.00 41.96 41.26 1a4g s TYR 379 CO 0.19 -0.23 0.01 0.54 -1.57 0.00 0.00 175.55 174.49 1a4g s VAL 380 N -1.50 0.15 -0.13 0.71 0.11 -0.10 -0.52 120.40 119.12 1a4g s VAL 380 Ca -0.15 -1.20 -0.11 0.00 -2.93 0.00 0.00 61.98 57.59 1a4g s VAL 380 Cb -0.09 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1a4g s VAL 380 CO -0.00 -0.66 0.33 -0.60 -3.33 0.00 0.00 175.10 170.84 1a4g s ARG 381 N -2.46 0.37 -0.15 1.54 3.52 -0.50 -0.91 118.95 120.36 1a4g s ARG 381 Ca -0.06 0.49 -0.05 0.00 -0.13 0.00 0.00 55.73 55.98 1a4g s ARG 381 Cb -0.02 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.48 1a4g s ARG 381 CO -0.04 -0.06 0.00 0.71 -0.81 0.00 0.00 175.30 175.10 1a4g s TYR 382 N 0.36 3.13 0.00 5.12 2.02 -1.26 -0.99 117.35 125.73 1a4g s TYR 382 Ca -0.02 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1a4g s TYR 382 Cb -0.03 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 1a4g s TYR 382 CO -0.01 0.13 0.00 -0.25 -1.57 0.00 0.00 175.55 173.85 1a4g n ASP 383 N 3.26 -3.27 0.00 2.29 8.00 0.03 -4.97 116.55 121.89 1a4g n ASP 383 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1a4g n ASP 383 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1a4g n ASP 383 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a4g n GLY 384 N 0.00 -1.39 3.16 0.44 0.00 -1.26 -4.81 105.19 101.32 1a4g n GLY 384 Ca 0.00 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1a4g n GLY 384 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a4g s ASP 385 N -2.74 4.52 0.56 1.61 -1.08 -1.26 -4.99 116.67 113.28 1a4g s ASP 385 Ca 0.00 -1.14 0.30 0.00 -0.52 0.00 0.00 52.55 51.19 1a4g s ASP 385 Cb 0.00 -1.65 1.46 0.00 -1.46 0.00 0.00 42.92 41.28 1a4g s ASP 385 CO 0.00 -0.19 1.89 -0.65 0.52 0.00 0.00 175.17 176.74 1a4g h PRO 386 N 7.95 0.00 0.00 4.34 0.11 -1.91 -0.07 132.00 142.42 1a4g h PRO 386 Ca -0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 1a4g h PRO 386 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1a4g h PRO 386 CO 0.53 0.00 -0.21 -1.49 -0.21 0.00 0.00 178.00 176.63 1a4g h TRP 387 N 0.00 0.00 0.00 0.65 6.55 -1.92 0.85 115.95 122.07 1a4g h TRP 387 Ca 0.34 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.18 1a4g h TRP 387 Cb 1.51 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.81 1a4g h TRP 387 CO 0.00 0.21 -0.38 0.25 -1.05 0.00 0.00 178.44 177.46 1a4g n THR 388 N -3.30 0.00 -2.67 1.49 -2.24 -0.18 -4.29 114.28 103.10 1a4g n THR 388 Ca 0.01 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1a4g n THR 388 Cb 0.46 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 1a4g n THR 388 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a4g s ASP 389 N -1.18 6.60 0.18 3.42 1.11 -0.39 -4.88 116.67 121.54 1a4g s ASP 389 Ca 0.00 0.39 0.26 0.00 0.18 0.00 0.00 52.55 53.38 1a4g s ASP 389 Cb 0.00 -2.52 0.87 0.00 1.07 0.00 0.00 42.92 42.34 1a4g s ASP 389 CO 0.00 -1.18 1.79 -1.54 1.18 0.00 0.00 175.17 175.43 1a4g n SER 390 N 7.61 0.70 -4.56 0.27 3.41 -1.26 -2.16 113.62 117.63 1a4g n SER 390 Ca 0.10 0.57 -0.40 0.00 -0.26 0.00 0.00 58.87 58.88 1a4g n SER 390 Cb 0.49 -0.76 0.02 0.00 -0.26 0.00 0.00 64.21 63.70 1a4g n SER 390 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1a4g n ASP 391 N -2.16 0.36 -4.76 4.04 8.00 -1.26 -1.12 116.55 119.66 1a4g n ASP 391 Ca 0.06 0.91 -0.39 0.00 0.71 0.00 0.00 54.79 56.08 1a4g n ASP 391 Cb 0.41 -1.28 0.03 0.00 -0.02 0.00 0.00 41.12 40.26 1a4g n ASP 391 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a4g s ALA 392 N -1.44 2.97 0.44 2.24 0.00 -1.26 -4.02 121.76 120.69 1a4g s ALA 392 Ca 0.67 1.33 -0.22 0.00 0.00 0.00 0.00 51.96 53.74 1a4g s ALA 392 Cb -0.52 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 18.96 1a4g s ALA 392 CO 0.55 -1.23 1.02 -0.51 0.00 0.00 0.00 175.76 175.58 1a4g s LEU 393 N -3.20 3.98 -0.17 0.00 1.02 -1.26 -5.00 118.68 114.05 1a4g s LEU 393 Ca 0.67 1.90 -0.24 0.00 0.02 0.00 0.00 54.13 56.49 1a4g s LEU 393 Cb -0.40 -4.41 -0.02 0.00 0.02 0.00 0.00 46.19 41.37 1a4g s LEU 393 CO 0.49 -0.56 0.75 0.00 0.02 0.00 0.00 176.35 177.05 1a4g s ALA 394 N -1.91 3.51 0.09 4.21 0.00 -0.09 -4.83 121.76 122.75 1a4g s ALA 394 Ca 0.62 -0.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 1a4g s ALA 394 Cb -0.17 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 1a4g s ALA 394 CO 0.21 -0.57 1.58 -1.58 0.00 0.00 0.00 175.76 175.39 1a4g s HIS 395 N 1.96 2.70 -0.27 0.00 2.46 -1.26 -0.92 115.29 119.96 1a4g s HIS 395 Ca 0.35 0.51 0.14 0.00 0.47 0.00 0.00 55.06 56.53 1a4g s HIS 395 Cb -0.16 -3.89 0.48 0.00 -0.13 0.00 0.00 32.58 28.87 1a4g s HIS 395 CO 0.12 -3.45 1.16 0.43 -2.47 0.00 0.00 174.74 170.53 1a4g n SER 396 N 5.04 3.34 0.00 9.88 7.64 0.31 -4.96 113.62 134.87 1a4g n SER 396 Ca 0.15 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1a4g n SER 396 Cb 0.41 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1a4g n SER 396 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a4g n GLY 397 N -0.65 3.32 3.55 0.23 0.00 -1.25 -4.50 105.19 105.88 1a4g n GLY 397 Ca 0.27 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1a4g n GLY 397 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4g s VAL 398 N -2.02 4.94 -0.04 1.61 1.01 -1.26 -1.10 120.40 123.54 1a4g s VAL 398 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1a4g s VAL 398 Cb 0.00 -4.06 -0.25 0.00 0.00 0.00 0.00 36.38 32.07 1a4g s VAL 398 CO 0.00 -0.35 0.69 0.24 0.00 0.00 0.00 175.10 175.69 1a4g h MET 399 N 8.58 0.13 -3.78 2.72 2.86 -1.28 -3.37 114.93 120.79 1a4g h MET 399 Ca -0.27 -0.23 -0.36 0.00 -2.06 0.00 0.00 59.70 56.78 1a4g h MET 399 Cb 1.11 0.08 -0.34 0.00 0.06 0.00 0.00 31.60 32.51 1a4g h MET 399 CO 0.82 0.87 -0.75 0.08 1.06 0.00 0.00 176.91 178.99 1a4g s VAL 400 N -2.60 0.26 0.82 -2.22 1.01 -0.58 -0.83 120.40 116.26 1a4g s VAL 400 Ca -0.10 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1a4g s VAL 400 Cb 0.07 -0.35 0.08 0.00 0.00 0.00 0.00 36.38 36.19 1a4g s VAL 400 CO 0.82 0.17 1.10 -0.94 0.00 0.00 0.00 175.10 176.25 1a4g s SER 401 N 1.08 4.27 0.63 3.32 1.04 -1.26 -0.91 113.70 121.86 1a4g s SER 401 Ca -0.09 1.25 0.34 0.00 0.48 0.00 0.00 55.95 57.93 1a4g s SER 401 Cb -0.14 -1.95 1.89 0.00 0.10 0.00 0.00 66.02 65.93 1a4g s SER 401 CO -0.02 -2.11 2.15 -0.03 0.98 0.00 0.00 173.24 174.22 1a4g h MET 402 N -1.18 0.00 0.00 4.02 4.05 -1.94 -1.03 114.93 118.85 1a4g h MET 402 Ca -0.48 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 58.82 1a4g h MET 402 Cb 1.28 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 1a4g h MET 402 CO 0.60 0.00 -0.56 -0.22 0.23 0.00 0.00 176.91 176.96 1a4g h LYS 403 N 0.00 0.00 -6.15 0.39 1.63 -1.94 -3.39 116.57 107.12 1a4g h LYS 403 Ca 0.04 0.00 -0.64 0.00 -0.85 0.00 0.00 60.65 59.20 1a4g h LYS 403 Cb 0.36 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 31.91 1a4g h LYS 403 CO -0.00 0.56 -0.59 -1.21 -3.45 0.00 0.00 179.45 174.76 1a4g s GLU 404 N -3.40 2.95 0.34 1.90 0.41 -0.40 -4.98 118.70 115.52 1a4g s GLU 404 Ca 0.00 -0.65 -0.29 0.00 -0.41 0.00 0.00 54.97 53.62 1a4g s GLU 404 Cb 0.11 -2.77 -0.11 0.00 -1.78 0.00 0.00 34.13 29.59 1a4g s GLU 404 CO 0.74 0.58 1.47 -1.25 -0.49 0.00 0.00 175.26 176.31 1a4g s PRO 405 N -2.35 4.17 -0.33 0.39 0.04 -1.26 -0.73 135.00 134.93 1a4g s PRO 405 Ca 0.29 2.49 -0.02 0.00 0.04 0.00 0.00 61.00 63.81 1a4g s PRO 405 Cb -0.12 -3.01 0.12 0.00 0.04 0.00 0.00 34.50 31.53 1a4g s PRO 405 CO 0.22 -0.49 0.16 0.20 0.04 0.00 0.00 177.00 177.13 1a4g s GLY 406 N -0.03 0.84 0.00 0.56 0.00 -0.31 -4.54 107.32 103.83 1a4g s GLY 406 Ca 0.55 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1a4g s GLY 406 CO 0.57 1.93 0.00 0.79 0.00 0.00 0.00 173.10 176.39 1a4g n TRP 407 N 4.63 0.00 -1.79 1.90 7.02 -0.09 -3.76 117.44 125.35 1a4g n TRP 407 Ca 0.02 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.12 1a4g n TRP 407 Cb 0.40 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.33 1a4g n TRP 407 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1a4g s TYR 408 N 3.84 2.27 0.11 -5.99 1.51 -1.25 -4.71 117.35 113.13 1a4g s TYR 408 Ca 0.00 1.39 0.03 0.00 -1.01 0.00 0.00 57.07 57.48 1a4g s TYR 408 Cb 0.00 -3.77 -0.04 0.00 -0.11 0.00 0.00 41.96 38.04 1a4g s TYR 408 CO 0.00 -2.86 -0.09 -1.54 -1.11 0.00 0.00 175.55 169.95 1a4g s SER 409 N -1.03 1.39 0.15 2.29 1.04 -1.01 -0.39 113.70 116.14 1a4g s SER 409 Ca 0.73 -0.91 -0.16 0.00 0.48 0.00 0.00 55.95 56.09 1a4g s SER 409 Cb -0.40 0.04 0.03 0.00 0.10 0.00 0.00 66.02 65.79 1a4g s SER 409 CO 0.46 -0.35 0.43 0.72 0.98 0.00 0.00 173.24 175.49 1a4g s PHE 410 N -3.00 -0.12 0.24 5.02 -0.12 -0.70 -2.36 117.98 116.94 1a4g s PHE 410 Ca 0.09 -0.21 0.08 0.00 -0.05 0.00 0.00 56.93 56.85 1a4g s PHE 410 Cb 0.01 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1a4g s PHE 410 CO -0.02 -0.77 0.06 0.20 -0.05 0.00 0.00 175.22 174.64 1a4g s GLY 411 N -2.84 1.60 0.12 1.99 0.00 -1.24 -1.20 107.32 105.75 1a4g s GLY 411 Ca 0.06 -1.51 -0.25 0.00 0.00 0.00 0.00 44.72 43.03 1a4g s GLY 411 CO -0.08 -1.55 0.76 -0.11 0.00 0.00 0.00 173.10 172.12 1a4g s PHE 412 N -2.13 -0.37 -0.03 1.90 -0.71 -0.64 -4.72 117.98 111.30 1a4g s PHE 412 Ca 0.31 0.14 0.05 0.00 -1.04 0.00 0.00 56.93 56.39 1a4g s PHE 412 Cb -0.08 0.59 -0.01 0.00 -1.21 0.00 0.00 43.02 42.31 1a4g s PHE 412 CO 0.21 -0.80 -0.19 -1.21 -1.34 0.00 0.00 175.22 171.89 1a4g s GLU 413 N -3.51 1.68 -0.04 1.99 2.02 -1.26 -0.94 118.70 118.65 1a4g s GLU 413 Ca 0.05 -0.68 -0.06 0.00 0.02 0.00 0.00 54.97 54.30 1a4g s GLU 413 Cb -0.02 -1.56 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 1a4g s GLU 413 CO -0.07 0.37 0.22 0.42 0.02 0.00 0.00 175.26 176.22 1a4g s ILE 414 N -0.30 5.37 -0.43 -1.63 1.01 -0.45 -4.30 121.20 120.48 1a4g s ILE 414 Ca 0.04 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.67 1a4g s ILE 414 Cb -0.09 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.89 1a4g s ILE 414 CO 0.00 0.45 0.48 -0.54 0.00 0.00 0.00 174.94 175.33 1a4g s LYS 415 N -1.53 3.11 0.73 2.79 -0.14 -1.26 -0.85 119.74 122.59 1a4g s LYS 415 Ca 0.23 -0.76 -0.07 0.00 -1.36 0.00 0.00 55.97 54.02 1a4g s LYS 415 Cb -0.13 -3.99 0.16 0.00 -1.68 0.00 0.00 37.83 32.19 1a4g s LYS 415 CO 0.13 -0.92 0.99 -3.47 -0.76 0.00 0.00 175.35 171.32 1a4g n ASP 416 N 5.72 0.67 -0.07 2.83 2.03 -0.68 -4.91 116.55 122.13 1a4g n ASP 416 Ca -0.07 -1.72 -0.08 0.00 0.52 0.00 0.00 54.79 53.44 1a4g n ASP 416 Cb 0.47 -0.70 -0.01 0.00 -0.72 0.00 0.00 41.12 40.15 1a4g n ASP 416 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1a4g h LYS 417 N 0.00 0.23 -0.00 -0.67 1.79 -1.97 -3.36 116.57 112.59 1a4g h LYS 417 Ca -0.32 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1a4g h LYS 417 Cb 1.04 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1a4g h LYS 417 CO 0.29 0.15 -0.06 1.63 -1.08 0.00 0.00 179.45 180.38 1a4g n LYS 418 N -5.01 4.16 -3.96 3.15 5.02 -1.26 -5.08 118.16 115.18 1a4g n LYS 418 Ca -0.01 -0.20 -0.09 0.00 -2.02 0.00 0.00 58.31 55.99 1a4g n LYS 418 Cb 0.09 -0.73 -0.06 0.00 -0.02 0.00 0.00 35.03 34.31 1a4g n LYS 418 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a4g s ASP 420 N -2.99 5.63 -0.31 0.00 1.01 -0.71 -1.69 116.67 117.62 1a4g s ASP 420 Ca 0.20 0.22 -0.07 0.00 0.71 0.00 0.00 52.55 53.61 1a4g s ASP 420 Cb 0.01 -1.66 0.01 0.00 1.01 0.00 0.00 42.92 42.29 1a4g s ASP 420 CO 0.05 0.36 0.10 -0.69 0.21 0.00 0.00 175.17 175.19 1a4g s VAL 421 N -1.01 4.02 0.15 -1.27 1.01 -0.03 -0.48 120.40 122.79 1a4g s VAL 421 Ca 0.16 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1a4g s VAL 421 Cb -0.12 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 1a4g s VAL 421 CO 0.06 0.03 1.22 -2.16 0.00 0.00 0.00 175.10 174.25 1a4g s PRO 422 N 1.50 4.45 0.05 2.72 0.04 -1.26 -1.33 135.00 141.17 1a4g s PRO 422 Ca 0.02 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 1a4g s PRO 422 Cb -0.18 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1a4g s PRO 422 CO 0.03 -0.17 -0.03 0.00 0.04 0.00 0.00 177.00 176.86 1a4g s ILE 424 N -3.90 0.61 0.14 0.00 1.01 -0.43 -1.61 121.20 117.02 1a4g s ILE 424 Ca 0.08 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1a4g s ILE 424 Cb 0.08 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 1a4g s ILE 424 CO -0.09 0.22 -0.04 -0.83 0.00 0.00 0.00 174.94 174.19 1a4g s GLY 425 N 0.50 1.78 -0.09 6.18 0.00 -0.34 -1.29 107.32 114.06 1a4g s GLY 425 Ca -0.07 -1.31 -0.00 0.00 0.00 0.00 0.00 44.72 43.34 1a4g s GLY 425 CO 0.00 -1.31 -0.05 -0.42 0.00 0.00 0.00 173.10 171.32 1a4g s ILE 426 N -1.53 0.79 -0.06 0.90 1.01 0.79 -1.72 121.20 121.37 1a4g s ILE 426 Ca 0.25 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1a4g s ILE 426 Cb -0.10 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 1a4g s ILE 426 CO 0.17 0.32 1.21 -0.70 0.00 0.00 0.00 174.94 175.94 1a4g s GLU 427 N 1.64 4.34 -0.50 2.79 2.12 0.48 -1.30 118.70 128.26 1a4g s GLU 427 Ca 0.02 1.68 0.03 0.00 0.36 0.00 0.00 54.97 57.07 1a4g s GLU 427 Cb -0.13 -3.58 0.13 0.00 0.26 0.00 0.00 34.13 30.81 1a4g s GLU 427 CO -0.06 -0.48 0.25 -1.64 -0.54 0.00 0.00 175.26 172.79 1a4g s MET 428 N 2.34 1.97 0.18 4.30 -1.94 -0.12 -0.91 119.30 125.13 1a4g s MET 428 Ca 0.56 -2.51 -0.30 0.00 -1.71 0.00 0.00 55.69 51.73 1a4g s MET 428 Cb -0.25 -3.35 -0.08 0.00 2.01 0.00 0.00 34.83 33.17 1a4g s MET 428 CO 0.21 -1.09 0.98 0.08 -0.01 0.00 0.00 175.02 175.19 1a4g s VAL 429 N -0.09 4.16 -0.51 -6.03 1.01 -1.26 -1.33 120.40 116.35 1a4g s VAL 429 Ca 0.16 1.97 -0.22 0.00 0.00 0.00 0.00 61.98 63.89 1a4g s VAL 429 Cb -0.24 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 31.92 1a4g s VAL 429 CO -0.01 0.39 0.79 -1.00 0.00 0.00 0.00 175.10 175.27 1a4g s HIS 430 N -0.60 2.92 -0.26 5.22 3.76 0.45 -4.71 115.29 122.08 1a4g s HIS 430 Ca 0.45 -0.16 -0.02 0.00 -0.15 0.00 0.00 55.06 55.18 1a4g s HIS 430 Cb -0.26 -3.78 0.03 0.00 1.11 0.00 0.00 32.58 29.68 1a4g s HIS 430 CO 0.32 -1.16 -0.05 0.34 -0.85 0.00 0.00 174.74 173.35 1a4g s ASP 431 N 2.62 4.45 -0.06 1.40 2.15 -1.26 -3.36 116.67 122.60 1a4g s ASP 431 Ca 0.25 -0.95 0.09 0.00 0.43 0.00 0.00 52.55 52.37 1a4g s ASP 431 Cb -0.15 -1.68 0.14 0.00 -0.30 0.00 0.00 42.92 40.94 1a4g s ASP 431 CO 0.17 -0.16 1.03 0.61 -0.17 0.00 0.00 175.17 176.66 1a4g n GLY 432 N 4.66 3.00 0.00 2.66 0.00 -1.26 -5.11 105.19 109.14 1a4g n GLY 432 Ca -0.16 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1a4g n GLY 432 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4g n GLY 433 N -0.83 -0.58 0.37 -0.02 0.00 -1.26 -4.49 105.19 98.39 1a4g n GLY 433 Ca 0.08 -1.71 0.19 0.00 0.00 0.00 0.00 46.02 44.58 1a4g n GLY 433 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1a4g h LYS 434 N 0.00 0.00 0.00 1.61 3.64 -1.99 -2.48 116.57 117.35 1a4g h LYS 434 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a4g h LYS 434 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1a4g h LYS 434 CO 0.00 0.00 0.00 1.57 -2.27 0.00 0.00 179.45 178.75 1a4g h LYS 435 N 0.00 0.00 0.00 1.90 2.10 -1.98 -3.47 116.57 115.12 1a4g h LYS 435 Ca 0.17 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.66 1a4g h LYS 435 Cb 0.92 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.21 1a4g h LYS 435 CO -0.00 0.00 -0.14 -2.37 -2.00 0.00 0.00 179.45 174.94 1a4g n THR 436 N -2.55 0.00 -0.89 0.07 5.66 -0.93 -5.06 114.28 110.57 1a4g n THR 436 Ca 0.00 -0.87 -0.30 0.00 -3.05 0.00 0.00 64.05 59.83 1a4g n THR 436 Cb 0.19 0.47 0.16 0.00 -1.55 0.00 0.00 70.33 69.59 1a4g n THR 436 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1a4g s TRP 437 N -3.14 1.91 -0.03 1.09 1.48 -1.26 -4.84 118.94 114.15 1a4g s TRP 437 Ca 0.14 1.54 -0.01 0.00 -1.06 0.00 0.00 56.10 56.70 1a4g s TRP 437 Cb 0.00 -3.20 0.02 0.00 -1.16 0.00 0.00 33.47 29.13 1a4g s TRP 437 CO 0.10 -2.69 0.06 -1.58 -4.06 0.00 0.00 176.95 168.78 1a4g s HIS 438 N -2.73 -0.05 0.00 1.66 2.46 -1.26 -4.44 115.29 110.92 1a4g s HIS 438 Ca 0.65 0.19 0.00 0.00 0.47 0.00 0.00 55.06 56.38 1a4g s HIS 438 Cb -0.21 -0.07 0.00 0.00 -0.13 0.00 0.00 32.58 32.17 1a4g s HIS 438 CO 0.58 -0.07 0.00 0.45 -2.47 0.00 0.00 174.74 173.24 1a4g n SER 439 N 3.55 0.00 -3.56 9.88 2.88 -1.21 -4.57 113.62 120.58 1a4g n SER 439 Ca -0.19 -0.40 -0.14 0.00 -1.33 0.00 0.00 58.87 56.81 1a4g n SER 439 Cb 0.56 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 1a4g n SER 439 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a4g s ALA 440 N -1.00 -1.41 0.40 -1.46 0.00 -1.23 -0.41 121.76 116.65 1a4g s ALA 440 Ca 0.00 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.75 1a4g s ALA 440 Cb 0.00 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1a4g s ALA 440 CO 0.00 -0.49 0.55 0.00 0.00 0.00 0.00 175.76 175.83 1a4g s ALA 441 N -2.25 4.45 -0.07 0.00 0.00 -0.44 -4.68 121.76 118.77 1a4g s ALA 441 Ca -0.06 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.29 1a4g s ALA 441 Cb -0.01 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.48 1a4g s ALA 441 CO -0.00 -0.24 -0.05 0.99 0.00 0.00 0.00 175.76 176.46 1a4g s THR 442 N -2.32 0.70 -0.08 0.00 2.01 -0.41 -0.94 115.64 114.60 1a4g s THR 442 Ca 0.53 -0.17 -0.02 0.00 0.31 0.00 0.00 61.69 62.34 1a4g s THR 442 Cb -0.10 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 1a4g s THR 442 CO 0.33 0.28 0.03 0.00 -0.69 0.00 0.00 174.62 174.56 1a4g s ALA 443 N 1.22 3.38 -0.07 7.40 0.00 -0.42 -0.83 121.76 132.44 1a4g s ALA 443 Ca -0.06 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1a4g s ALA 443 Cb -0.14 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.45 1a4g s ALA 443 CO -0.02 0.60 -0.15 0.42 0.00 0.00 0.00 175.76 176.61 1a4g s ILE 444 N -0.94 1.38 -0.03 0.00 1.09 0.71 -0.15 121.20 123.26 1a4g s ILE 444 Ca 0.15 -0.63 0.06 0.00 -1.10 0.00 0.00 60.65 59.13 1a4g s ILE 444 Cb -0.11 -1.23 -0.01 0.00 -1.06 0.00 0.00 42.46 40.04 1a4g s ILE 444 CO 0.04 0.41 -0.22 -0.31 -0.10 0.00 0.00 174.94 174.76 1a4g s TYR 445 N 0.53 1.99 0.07 3.97 1.51 -0.41 -0.83 117.35 124.18 1a4g s TYR 445 Ca -0.15 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.49 1a4g s TYR 445 Cb -0.16 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 1a4g s TYR 445 CO 0.05 -0.08 -0.07 0.00 -1.11 0.00 0.00 175.55 174.34 1a4g s LEU 447 N -2.43 4.37 -0.30 0.00 2.96 -0.41 -0.61 118.68 122.26 1a4g s LEU 447 Ca 0.02 2.70 -0.01 0.00 -0.22 0.00 0.00 54.13 56.62 1a4g s LEU 447 Cb -0.01 -3.59 0.19 0.00 0.50 0.00 0.00 46.19 43.28 1a4g s LEU 447 CO -0.03 -0.88 0.65 -0.32 -1.32 0.00 0.00 176.35 174.45 1a4g s MET 448 N 1.28 0.52 3.39 1.98 1.75 0.22 -4.85 119.30 123.60 1a4g s MET 448 Ca 0.72 0.87 0.00 0.00 -1.25 0.00 0.00 55.69 56.03 1a4g s MET 448 Cb -0.46 0.48 0.00 0.00 2.84 0.00 0.00 34.83 37.69 1a4g s MET 448 CO 0.32 -0.63 0.00 0.41 -0.65 0.00 0.00 175.02 174.47 1a4g n GLY 449 N 5.43 0.57 3.59 2.11 0.00 -1.26 -4.61 105.19 111.01 1a4g n GLY 449 Ca -0.01 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 1a4g n GLY 449 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a4g s SER 450 N -4.00 3.20 0.01 1.61 1.04 -1.26 -0.89 113.70 113.41 1a4g s SER 450 Ca 0.00 -1.72 0.00 0.00 0.48 0.00 0.00 55.95 54.71 1a4g s SER 450 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1a4g s SER 450 CO 0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1a4g n GLY 451 N -1.04 1.06 3.15 7.32 0.00 -1.26 -4.85 105.19 109.57 1a4g n GLY 451 Ca -0.10 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 1a4g n GLY 451 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a4g s GLN 452 N 0.00 0.78 0.16 1.61 -2.07 -1.26 -4.64 119.66 114.23 1a4g s GLN 452 Ca 0.00 -1.15 -0.32 0.00 -1.82 0.00 0.00 55.36 52.07 1a4g s GLN 452 Cb 0.00 -0.34 -0.12 0.00 -1.09 0.00 0.00 33.01 31.47 1a4g s GLN 452 CO 0.00 0.03 1.77 -0.11 -1.32 0.00 0.00 175.29 175.66 1a4g n LEU 453 N 0.48 3.94 -0.07 2.60 0.00 -1.25 -4.96 117.00 117.74 1a4g n LEU 453 Ca -0.16 1.03 -0.19 0.00 0.00 0.00 0.00 56.01 56.69 1a4g n LEU 453 Cb 0.58 -1.55 -0.13 0.00 0.00 0.00 0.00 43.42 42.33 1a4g n LEU 453 CO 0.27 0.14 -1.10 0.18 0.00 0.00 0.00 177.39 176.88 1a4g n LEU 454 N 4.76 2.72 -3.97 -1.96 4.32 -1.26 -4.89 117.00 116.72 1a4g n LEU 454 Ca 0.17 0.02 -0.09 0.00 -0.02 0.00 0.00 56.01 56.09 1a4g n LEU 454 Cb 0.35 -0.94 -0.11 0.00 -1.62 0.00 0.00 43.42 41.10 1a4g n LEU 454 CO 0.65 0.88 -0.32 0.86 -1.22 0.00 0.00 177.39 178.24 1a4g s TRP 455 N -2.54 0.24 0.59 -1.77 -0.00 -1.26 -5.09 118.94 109.11 1a4g s TRP 455 Ca -0.28 -0.51 -0.00 0.00 -0.00 0.00 0.00 56.10 55.30 1a4g s TRP 455 Cb 0.08 -0.18 0.05 0.00 -0.00 0.00 0.00 33.47 33.41 1a4g s TRP 455 CO 0.68 -0.24 0.83 0.16 -0.00 0.00 0.00 176.95 178.39 1a4g s ASP 456 N -1.63 5.11 -0.10 5.86 -4.77 -1.26 -4.55 116.67 115.33 1a4g s ASP 456 Ca -0.13 0.02 0.00 0.00 -3.30 0.00 0.00 52.55 49.14 1a4g s ASP 456 Cb -0.07 -0.81 -0.02 0.00 -1.09 0.00 0.00 42.92 40.92 1a4g s ASP 456 CO -0.02 -1.29 -0.11 -0.89 0.70 0.00 0.00 175.17 173.57 1a4g s THR 457 N -2.87 3.31 0.17 2.11 2.01 -0.01 -5.00 115.64 115.36 1a4g s THR 457 Ca 0.59 -0.60 0.09 0.00 0.31 0.00 0.00 61.69 62.08 1a4g s THR 457 Cb -0.10 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 1a4g s THR 457 CO 0.40 0.55 -0.10 0.68 -0.69 0.00 0.00 174.62 175.46 1a4g s VAL 458 N -0.13 3.20 -0.08 3.82 -7.23 -1.26 -4.56 120.40 114.16 1a4g s VAL 458 Ca -0.00 -1.60 0.14 0.00 -1.81 0.00 0.00 61.98 58.71 1a4g s VAL 458 Cb -0.13 -2.57 -0.09 0.00 0.56 0.00 0.00 36.38 34.14 1a4g s VAL 458 CO 0.03 -0.07 1.10 0.71 -0.31 0.00 0.00 175.10 176.56 1a4g h THR 459 N 2.85 0.89 0.00 5.32 1.35 -1.97 -3.48 112.91 117.87 1a4g h THR 459 Ca -0.47 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 62.96 1a4g h THR 459 Cb 1.20 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1a4g h THR 459 CO 0.54 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.93 1a4g n GLY 460 N 1.35 0.56 3.71 5.82 0.00 -1.26 -4.84 105.19 110.53 1a4g n GLY 460 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1a4g n GLY 460 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4g s VAL 461 N -2.38 5.21 -0.45 1.61 1.01 -1.26 -4.96 120.40 119.18 1a4g s VAL 461 Ca 0.00 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 62.64 1a4g s VAL 461 Cb 0.00 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1a4g s VAL 461 CO 0.00 0.31 0.35 -0.62 0.00 0.00 0.00 175.10 175.15 1a4g s ASP 462 N 0.71 6.08 0.25 3.32 -1.08 -1.26 -4.96 116.67 119.73 1a4g s ASP 462 Ca 0.22 -1.24 0.19 0.00 -0.52 0.00 0.00 52.55 51.20 1a4g s ASP 462 Cb -0.14 -2.15 0.93 0.00 -1.46 0.00 0.00 42.92 40.09 1a4g s ASP 462 CO 0.08 -0.58 1.57 0.23 0.52 0.00 0.00 175.17 176.98 1a4g n MET 463 N 5.16 0.12 0.01 4.34 2.81 -1.26 -2.25 117.12 126.06 1a4g n MET 463 Ca -0.12 0.55 0.13 0.00 -1.81 0.00 0.00 57.70 56.46 1a4g n MET 463 Cb 0.44 -1.85 0.51 0.00 -0.71 0.00 0.00 33.22 31.61 1a4g n MET 463 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a4g n ALA 464 N -1.72 2.58 1.79 3.04 0.00 -1.26 -5.03 120.51 119.91 1a4g n ALA 464 Ca -0.00 -0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.44 1a4g n ALA 464 Cb 0.08 -1.39 0.77 0.00 0.00 0.00 0.00 19.45 18.90 1a4g n ALA 464 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78