#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 1.23 -2.31 3.44 -0.02 -1.26 -4.99 135.00 131.08 1a4g n PRO 77 Ca 0.00 0.45 -0.34 0.00 -2.02 0.00 0.00 63.50 61.58 1a4g n PRO 77 Cb 0.00 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.37 1a4g n PRO 77 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1a4g s GLU 78 N -2.27 3.48 0.31 -0.52 2.12 -1.26 -4.81 118.70 115.75 1a4g s GLU 78 Ca 0.67 1.48 -0.28 0.00 0.36 0.00 0.00 54.97 57.19 1a4g s GLU 78 Cb -0.50 -2.04 -0.09 0.00 0.26 0.00 0.00 34.13 31.76 1a4g s GLU 78 CO 0.54 -0.72 1.13 -1.58 -0.54 0.00 0.00 175.26 174.09 1a4g s TRP 79 N -1.93 3.41 0.44 5.30 0.23 -1.26 -4.24 118.94 120.89 1a4g s TRP 79 Ca 0.70 1.64 -0.21 0.00 -2.03 0.00 0.00 56.10 56.19 1a4g s TRP 79 Cb -0.20 -3.34 -0.10 0.00 0.03 0.00 0.00 33.47 29.85 1a4g s TRP 79 CO 0.26 -0.84 0.98 0.99 0.96 0.00 0.00 176.95 179.30 1a4g s THR 80 N -1.23 4.16 0.03 2.01 2.01 -0.55 -4.78 115.64 117.29 1a4g s THR 80 Ca 0.48 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.87 1a4g s THR 80 Cb -0.32 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1a4g s THR 80 CO 0.41 -0.26 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.73 1a4g s TYR 81 N -2.07 0.42 0.40 4.92 1.51 -1.26 -1.71 117.35 119.56 1a4g s TYR 81 Ca 0.63 -0.54 -0.27 0.00 -1.01 0.00 0.00 57.07 55.88 1a4g s TYR 81 Cb -0.12 -0.28 -0.10 0.00 -0.11 0.00 0.00 41.96 41.35 1a4g s TYR 81 CO 0.16 -0.16 1.48 -0.35 -1.11 0.00 0.00 175.55 175.58 1a4g n PRO 82 N 1.49 2.59 -4.59 -1.71 -0.04 -1.26 -5.05 135.00 126.44 1a4g n PRO 82 Ca -0.23 0.91 -0.27 0.00 -0.04 0.00 0.00 63.50 63.87 1a4g n PRO 82 Cb 0.55 -2.67 -0.11 0.00 -0.04 0.00 0.00 33.50 31.23 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 -2.19 1.90 0.58 0.54 0.52 -1.26 -4.86 118.95 114.18 1a4g s ARG 83 Ca 0.55 -2.07 -0.20 0.00 -0.52 0.00 0.00 55.73 53.49 1a4g s ARG 83 Cb -0.47 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 1a4g s ARG 83 CO 0.62 -0.06 1.30 -0.51 0.02 0.00 0.00 175.30 176.68 1a4g s LEU 84 N -3.67 3.74 0.59 2.53 1.43 -1.26 -4.61 118.68 117.43 1a4g s LEU 84 Ca 0.35 2.63 -0.17 0.00 -1.03 0.00 0.00 54.13 55.91 1a4g s LEU 84 Cb 0.09 -4.44 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 1a4g s LEU 84 CO 0.17 -1.68 1.11 -0.44 0.23 0.00 0.00 176.35 175.74 1a4g s SER 85 N -1.23 5.54 0.70 2.29 0.01 0.32 -2.25 113.70 119.09 1a4g s SER 85 Ca 0.76 2.05 -0.15 0.00 1.31 0.00 0.00 55.95 59.92 1a4g s SER 85 Cb -0.37 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.32 1a4g s SER 85 CO 0.42 -1.34 1.17 0.00 0.41 0.00 0.00 173.24 173.90 1a4g s GLN 87 N -3.97 4.10 0.00 0.00 2.00 -1.26 -4.97 119.66 115.56 1a4g s GLN 87 Ca 0.72 2.53 0.00 0.00 -2.00 0.00 0.00 55.36 56.61 1a4g s GLN 87 Cb -0.26 -2.95 0.00 0.00 0.80 0.00 0.00 33.01 30.60 1a4g s GLN 87 CO 0.44 -0.52 0.00 0.41 -0.50 0.00 0.00 175.29 175.11 1a4g n GLY 88 N 0.49 2.75 0.00 2.59 0.00 -1.26 -4.55 105.19 105.22 1a4g n GLY 88 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.14 -4.98 113.62 110.05 1a4g n SER 89 Ca 0.00 -1.00 -0.12 0.00 -0.26 0.00 0.00 58.87 57.49 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 0.32 6.66 -1.32 -1.19 -4.81 115.64 115.38 1a4g s THR 90 Ca 0.00 -0.64 -0.02 0.00 -1.21 0.00 0.00 61.69 59.81 1a4g s THR 90 Cb 0.00 -0.89 -0.04 0.00 -1.51 0.00 0.00 72.50 70.06 1a4g s THR 90 CO 0.00 -0.36 0.56 -0.36 -2.21 0.00 0.00 174.62 172.25 1a4g s PHE 91 N -2.37 3.49 0.09 9.09 0.40 -1.26 -0.60 117.98 126.82 1a4g s PHE 91 Ca -0.06 0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 56.75 1a4g s PHE 91 Cb -0.01 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1a4g s PHE 91 CO -0.02 0.13 0.06 -0.65 0.70 0.00 0.00 175.22 175.44 1a4g s GLN 92 N -3.95 0.80 0.08 0.44 -1.52 -0.04 -3.97 119.66 111.50 1a4g s GLN 92 Ca 0.42 -1.25 -0.31 0.00 -1.95 0.00 0.00 55.36 52.27 1a4g s GLN 92 Cb -0.10 0.26 -0.08 0.00 -0.22 0.00 0.00 33.01 32.87 1a4g s GLN 92 CO 0.34 -0.21 1.46 0.21 -0.25 0.00 0.00 175.29 176.83 1a4g s LYS 93 N -3.96 4.28 -0.07 2.91 2.20 -1.26 -2.04 119.74 121.79 1a4g s LYS 93 Ca 0.13 2.12 -0.10 0.00 -0.36 0.00 0.00 55.97 57.76 1a4g s LYS 93 Cb 0.07 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1a4g s LYS 93 CO -0.05 -0.54 -0.21 0.00 -0.36 0.00 0.00 175.35 174.18 1a4g n ALA 94 N 4.60 1.76 -3.44 3.13 0.00 -0.16 -4.93 120.51 121.48 1a4g n ALA 94 Ca 0.13 -0.50 -0.16 0.00 0.00 0.00 0.00 53.44 52.91 1a4g n ALA 94 Cb 0.42 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 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 -7.48 -0.35 -0.07 0.00 2.96 -1.13 -5.01 118.68 107.60 1a4g s LEU 95 Ca -0.18 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1a4g s LEU 95 Cb 0.03 2.30 0.01 0.00 0.50 0.00 0.00 46.19 49.03 1a4g s LEU 95 CO 0.26 -0.62 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.32 1a4g s LEU 96 N -1.41 1.64 -0.36 -0.68 2.96 -1.26 -0.65 118.68 118.92 1a4g s LEU 96 Ca -0.10 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1a4g s LEU 96 Cb -0.01 -0.83 0.08 0.00 0.50 0.00 0.00 46.19 45.94 1a4g s LEU 96 CO 0.06 0.03 0.11 -0.63 -1.32 0.00 0.00 176.35 174.61 1a4g s ILE 97 N 0.67 3.19 -0.63 6.68 -1.09 0.30 -5.01 121.20 125.30 1a4g s ILE 97 Ca -0.15 -1.74 0.05 0.00 -2.23 0.00 0.00 60.65 56.58 1a4g s ILE 97 Cb -0.16 -3.03 0.16 0.00 -1.58 0.00 0.00 42.46 37.85 1a4g s ILE 97 CO 0.04 -0.43 0.43 -0.55 -1.23 0.00 0.00 174.94 173.19 1a4g s SER 98 N 1.54 4.34 0.40 3.58 0.15 -1.26 -0.87 113.70 121.59 1a4g s SER 98 Ca 0.03 -3.57 0.08 0.00 0.70 0.00 0.00 55.95 53.19 1a4g s SER 98 Cb -0.21 -1.48 0.84 0.00 -1.71 0.00 0.00 66.02 63.45 1a4g s SER 98 CO -0.03 -0.13 2.01 -0.65 1.20 0.00 0.00 173.24 175.64 1a4g h PRO 99 N 5.68 0.42 0.00 5.44 0.11 -1.96 -2.40 132.00 139.30 1a4g h PRO 99 Ca 0.11 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1a4g h PRO 99 Cb 0.80 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1a4g h PRO 99 CO 0.67 0.36 0.00 0.72 -0.21 0.00 0.00 178.00 179.54 1a4g n HIS 100 N -4.41 0.00 0.43 0.65 8.25 -1.26 -1.69 115.22 117.19 1a4g n HIS 100 Ca 0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.56 1a4g n HIS 100 Cb 0.14 0.00 0.37 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.91 0.08 -0.14 -0.41 1.74 -0.90 -2.59 116.66 113.53 1a4g n ARG 101 Ca 0.19 0.34 0.10 0.00 -0.77 0.00 0.00 57.85 57.71 1a4g n ARG 101 Cb 0.09 -1.66 0.16 0.00 -1.02 0.00 0.00 32.46 30.03 1a4g n ARG 101 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1a4g n PHE 102 N -1.81 0.14 -0.78 -1.55 3.72 -0.68 -4.79 117.46 111.71 1a4g n PHE 102 Ca 0.03 -0.99 0.08 0.00 -0.05 0.00 0.00 57.45 56.51 1a4g n PHE 102 Cb 0.18 -0.18 0.31 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.30 3.28 3.69 1.37 0.00 -1.07 -3.93 105.19 107.24 1a4g n GLY 103 Ca 0.17 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 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 0.35 1.35 0.26 1.61 4.71 -1.26 -3.26 120.64 124.39 1a4g n GLU 104 Ca 0.23 0.51 0.11 0.00 -0.01 0.00 0.00 57.16 58.00 1a4g n GLU 104 Cb 0.92 -2.41 0.72 0.00 -1.01 0.00 0.00 31.44 29.66 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 1.04 1.89 -0.01 0.62 0.00 -1.95 -1.29 119.26 119.55 1a4g h ALA 105 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1a4g h ALA 105 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1a4g h ALA 105 CO 0.55 -0.04 -0.18 2.89 0.00 0.00 0.00 179.25 182.46 1a4g n ARG 106 N -4.33 1.13 -1.21 0.00 1.85 -1.26 -4.93 116.66 107.91 1a4g n ARG 106 Ca -0.02 -0.68 -0.12 0.00 -1.00 0.00 0.00 57.85 56.03 1a4g n ARG 106 Cb 0.12 -1.49 0.07 0.00 -1.05 0.00 0.00 32.46 30.12 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 1.29 -0.19 0.67 2.89 0.00 -0.49 -5.04 105.19 104.33 1a4g n GLY 107 Ca 0.14 -1.85 0.06 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.15 1.44 -4.77 1.61 3.02 -1.26 -4.92 115.26 107.23 1a4g n ASN 108 Ca 0.08 -2.98 -0.25 0.00 -0.03 0.00 0.00 54.58 51.40 1a4g n ASN 108 Cb 0.27 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 38.97 1a4g n ASN 108 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1a4g s SER 109 N -2.53 4.50 -0.42 6.41 0.01 -1.25 -5.08 113.70 115.33 1a4g s SER 109 Ca 0.30 -1.07 0.09 0.00 1.31 0.00 0.00 55.95 56.58 1a4g s SER 109 Cb 0.30 -0.41 0.28 0.00 0.21 0.00 0.00 66.02 66.40 1a4g s SER 109 CO -0.06 -0.60 0.63 0.00 0.41 0.00 0.00 173.24 173.62 1a4g n ALA 110 N -1.31 2.61 -1.79 1.44 0.00 -1.26 -4.26 120.51 115.94 1a4g n ALA 110 Ca -0.01 -3.63 -0.42 0.00 0.00 0.00 0.00 53.44 49.39 1a4g n ALA 110 Cb 0.64 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 1a4g n ALA 110 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a4g s PRO 111 N -1.83 4.15 0.35 0.00 0.04 -1.24 -1.55 135.00 134.92 1a4g s PRO 111 Ca 0.38 2.52 -0.27 0.00 0.04 0.00 0.00 61.00 63.67 1a4g s PRO 111 Cb 0.23 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.62 1a4g s PRO 111 CO -0.09 -0.62 1.11 -0.51 0.04 0.00 0.00 177.00 176.93 1a4g s LEU 112 N 0.05 4.33 -0.15 -3.56 1.43 -0.88 -1.62 118.68 118.28 1a4g s LEU 112 Ca 0.66 2.24 -0.27 0.00 -1.03 0.00 0.00 54.13 55.73 1a4g s LEU 112 Cb -0.47 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 41.85 1a4g s LEU 112 CO 0.42 -0.40 0.93 -0.63 0.23 0.00 0.00 176.35 176.89 1a4g s ILE 113 N -1.37 4.82 0.25 -0.59 1.01 0.26 -4.87 121.20 120.70 1a4g s ILE 113 Ca 0.52 1.84 -0.00 0.00 0.00 0.00 0.00 60.65 63.01 1a4g s ILE 113 Cb -0.29 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 1a4g s ILE 113 CO 0.37 -0.01 0.22 0.27 0.00 0.00 0.00 174.94 175.79 1a4g s ILE 114 N 2.25 0.00 0.36 2.92 -5.25 -1.26 -1.61 121.20 118.60 1a4g s ILE 114 Ca 0.43 -1.92 -0.17 0.00 -0.99 0.00 0.00 60.65 58.01 1a4g s ILE 114 Cb -0.17 -2.48 0.04 0.00 2.95 0.00 0.00 42.46 42.80 1a4g s ILE 114 CO 0.13 0.00 0.76 -0.13 -1.79 0.00 0.00 174.94 173.91 1a4g s ARG 115 N -3.89 2.11 -1.37 0.37 0.52 -0.70 -3.39 118.95 112.59 1a4g s ARG 115 Ca 0.37 -1.33 -0.07 0.00 -0.52 0.00 0.00 55.73 54.18 1a4g s ARG 115 Cb 0.05 0.62 0.00 0.00 0.52 0.00 0.00 34.95 36.14 1a4g s ARG 115 CO 0.16 -0.98 0.43 0.39 0.02 0.00 0.00 175.30 175.32 1a4g n GLU 116 N -0.51 -2.21 -1.82 3.54 4.71 -1.26 -1.51 120.64 121.57 1a4g n GLU 116 Ca -0.07 0.32 -0.33 0.00 -0.01 0.00 0.00 57.16 57.07 1a4g n GLU 116 Cb 0.60 -4.08 0.04 0.00 -1.01 0.00 0.00 31.44 26.99 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 -6.70 2.88 0.27 3.49 0.04 -1.26 -4.16 135.00 129.55 1a4g s PRO 117 Ca 0.13 1.42 -0.20 0.00 0.04 0.00 0.00 61.00 62.39 1a4g s PRO 117 Cb -0.06 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1a4g s PRO 117 CO 0.91 -1.19 0.68 -0.59 0.04 0.00 0.00 177.00 176.85 1a4g s PHE 118 N -2.27 -0.10 0.05 0.56 -0.71 -0.64 -4.90 117.98 109.97 1a4g s PHE 118 Ca 0.68 -0.34 0.04 0.00 -1.04 0.00 0.00 56.93 56.27 1a4g s PHE 118 Cb -0.21 0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 42.20 1a4g s PHE 118 CO 0.40 -1.19 -0.12 0.42 -1.34 0.00 0.00 175.22 173.38 1a4g s ILE 119 N -3.93 0.96 -0.04 -4.49 1.01 -1.26 -0.72 121.20 112.72 1a4g s ILE 119 Ca 0.13 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 1a4g s ILE 119 Cb -0.05 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1a4g s ILE 119 CO 0.07 -0.13 0.12 0.00 0.00 0.00 0.00 174.94 175.00 1a4g s ALA 120 N -1.03 -0.30 0.10 9.38 0.00 -1.04 -4.45 121.76 124.41 1a4g s ALA 120 Ca -0.02 0.28 0.10 0.00 0.00 0.00 0.00 51.96 52.33 1a4g s ALA 120 Cb -0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1a4g s ALA 120 CO 0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 175.76 175.43 1a4g n GLY 122 N 1.24 3.29 0.25 0.00 0.00 -0.05 -4.52 105.19 105.40 1a4g n GLY 122 Ca -0.17 -2.09 0.11 0.00 0.00 0.00 0.00 46.02 43.86 1a4g n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a4g h PRO 123 N 0.00 0.00 0.00 1.61 0.13 -1.94 -3.34 132.00 128.46 1a4g h PRO 123 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a4g h PRO 123 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1a4g h PRO 123 CO 0.00 0.14 -0.16 1.63 -0.23 0.00 0.00 178.00 179.38 1a4g n LYS 124 N -3.76 5.91 -3.51 0.86 4.76 -1.26 -4.83 118.16 116.32 1a4g n LYS 124 Ca -0.02 -0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.24 1a4g n LYS 124 Cb 0.25 -0.59 -0.06 0.00 -1.84 0.00 0.00 35.03 32.79 1a4g n LYS 124 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1a4g s GLU 125 N -1.18 1.07 0.11 1.97 2.12 -1.25 -5.14 118.70 116.40 1a4g s GLU 125 Ca 0.00 0.21 0.06 0.00 0.36 0.00 0.00 54.97 55.60 1a4g s GLU 125 Cb 0.00 0.51 -0.04 0.00 0.26 0.00 0.00 34.13 34.86 1a4g s GLU 125 CO 0.02 -0.35 -0.01 0.00 -0.54 0.00 0.00 175.26 174.38 1a4g s LYS 127 N -2.44 2.27 -0.39 0.00 1.02 -0.33 -1.41 119.74 118.45 1a4g s LYS 127 Ca 0.25 -0.91 -0.13 0.00 0.02 0.00 0.00 55.97 55.20 1a4g s LYS 127 Cb -0.11 -2.07 0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1a4g s LYS 127 CO 0.18 0.49 0.26 -1.58 -0.92 0.00 0.00 175.35 173.77 1a4g s HIS 128 N -0.43 3.24 0.29 3.18 5.65 0.13 -2.49 115.29 124.86 1a4g s HIS 128 Ca 0.05 -0.75 0.05 0.00 0.25 0.00 0.00 55.06 54.66 1a4g s HIS 128 Cb -0.11 -2.53 -0.02 0.00 -1.18 0.00 0.00 32.58 28.74 1a4g s HIS 128 CO 0.01 -0.61 0.42 -0.06 -0.65 0.00 0.00 174.74 173.85 1a4g s PHE 129 N 1.63 3.34 0.01 3.88 0.40 0.10 -2.16 117.98 125.18 1a4g s PHE 129 Ca 0.04 -0.04 -0.29 0.00 -0.60 0.00 0.00 56.93 56.03 1a4g s PHE 129 Cb -0.19 -1.76 0.10 0.00 0.51 0.00 0.00 43.02 41.68 1a4g s PHE 129 CO 0.09 0.24 1.07 0.00 0.70 0.00 0.00 175.22 177.31 1a4g s ALA 130 N -2.09 -1.91 -0.33 5.36 0.00 -0.96 -1.61 121.76 120.21 1a4g s ALA 130 Ca 0.39 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 52.97 1a4g s ALA 130 Cb -0.09 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1a4g s ALA 130 CO 0.31 -0.89 0.17 -0.51 0.00 0.00 0.00 175.76 174.84 1a4g s LEU 131 N -2.71 4.27 0.49 0.00 2.01 -0.57 -1.19 118.68 120.97 1a4g s LEU 131 Ca 0.11 -0.63 -0.06 0.00 0.01 0.00 0.00 54.13 53.55 1a4g s LEU 131 Cb 0.00 -2.01 -0.04 0.00 0.01 0.00 0.00 46.19 44.15 1a4g s LEU 131 CO -0.03 -0.24 0.81 0.28 1.01 0.00 0.00 176.35 178.18 1a4g s THR 132 N 1.60 4.87 -2.13 5.49 -1.32 -0.05 -1.72 115.64 122.39 1a4g s THR 132 Ca 0.04 0.32 0.19 0.00 -1.21 0.00 0.00 61.69 61.03 1a4g s THR 132 Cb -0.18 -3.85 0.47 0.00 -1.51 0.00 0.00 72.50 67.43 1a4g s THR 132 CO 0.06 -0.85 1.43 1.41 -2.21 0.00 0.00 174.62 174.46 1a4g n HIS 133 N -2.22 0.62 -3.36 9.09 8.25 -0.64 -2.49 115.22 124.48 1a4g n HIS 133 Ca 0.01 -0.31 -0.18 0.00 -0.26 0.00 0.00 57.72 56.98 1a4g n HIS 133 Cb 0.55 0.00 0.07 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 1.07 -2.23 -3.76 4.41 4.19 -1.26 -4.69 117.16 114.89 1a4g n TYR 134 Ca 0.18 0.85 -0.13 0.00 3.31 0.00 0.00 57.90 62.11 1a4g n TYR 134 Cb 0.47 -4.61 -0.09 0.00 0.49 0.00 0.00 39.34 35.61 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 -3.30 -0.80 0.30 2.98 0.00 -1.26 -5.07 121.76 114.62 1a4g s ALA 135 Ca 0.27 0.40 0.11 0.00 0.00 0.00 0.00 51.96 52.73 1a4g s ALA 135 Cb -0.12 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1a4g s ALA 135 CO 0.64 -0.25 -0.15 0.00 0.00 0.00 0.00 175.76 176.00 1a4g s ALA 136 N -1.17 2.86 -0.17 0.00 0.00 -1.26 -0.57 121.76 121.44 1a4g s ALA 136 Ca -0.12 -1.93 -0.02 0.00 0.00 0.00 0.00 51.96 49.89 1a4g s ALA 136 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1a4g s ALA 136 CO 0.04 0.22 -0.07 -1.14 0.00 0.00 0.00 175.76 174.80 1a4g s GLN 137 N -3.56 3.47 0.52 0.00 0.74 -0.64 -3.14 119.66 117.04 1a4g s GLN 137 Ca 0.31 -0.62 -0.19 0.00 0.05 0.00 0.00 55.36 54.91 1a4g s GLN 137 Cb -0.03 -2.85 -0.07 0.00 1.10 0.00 0.00 33.01 31.16 1a4g s GLN 137 CO 0.16 0.08 1.05 -1.25 -0.55 0.00 0.00 175.29 174.78 1a4g s PRO 138 N 0.75 3.65 0.04 1.67 0.04 -1.20 -3.66 135.00 136.28 1a4g s PRO 138 Ca -0.03 1.35 -0.05 0.00 0.04 0.00 0.00 61.00 62.31 1a4g s PRO 138 Cb -0.15 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1a4g s PRO 138 CO 0.02 -0.56 0.22 0.41 0.04 0.00 0.00 177.00 177.13 1a4g n GLY 139 N -0.38 1.12 0.30 0.56 0.00 -1.19 -5.02 105.19 100.59 1a4g n GLY 139 Ca 0.09 -0.96 0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.15 3.28 1.52 -0.02 0.00 -1.26 -4.68 105.19 103.88 1a4g n GLY 140 Ca -0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.30 1.78 0.08 1.61 4.01 -1.26 -4.77 117.16 118.30 1a4g n TYR 141 Ca 0.08 -1.98 -0.03 0.00 -0.16 0.00 0.00 57.90 55.81 1a4g n TYR 141 Cb 0.42 -0.35 0.19 0.00 -0.31 0.00 0.00 39.34 39.29 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 1.72 0.32 -2.64 -0.72 0.05 -1.93 -3.43 116.97 110.35 1a4g h TYR 142 Ca 0.25 -0.09 -0.55 0.00 0.05 0.00 0.00 58.73 58.38 1a4g h TYR 142 Cb 1.35 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 39.01 1a4g h TYR 142 CO 0.85 0.68 1.08 1.21 -1.05 0.00 0.00 178.16 180.92 1a4g s ASN 143 N -6.88 6.67 0.00 3.88 3.04 -1.26 -1.47 114.94 118.92 1a4g s ASN 143 Ca -0.05 2.15 0.00 0.00 0.04 0.00 0.00 52.86 55.01 1a4g s ASN 143 Cb 0.13 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.31 1a4g s ASN 143 CO 0.78 -0.94 0.00 0.61 -3.04 0.00 0.00 177.10 174.52 1a4g n GLY 144 N 4.13 0.74 0.00 1.21 0.00 -1.26 -4.97 105.19 105.02 1a4g n GLY 144 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.02 0.01 0.17 2.61 -2.24 -0.54 -1.87 114.28 111.40 1a4g n THR 145 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1a4g n THR 145 Cb 0.00 -0.62 0.21 0.00 -2.10 0.00 0.00 70.33 67.81 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 -1.01 2.41 -3.37 -0.78 0.63 -1.26 -4.64 116.66 108.64 1a4g n ARG 146 Ca 0.18 -2.22 -0.37 0.00 -0.92 0.00 0.00 57.85 54.52 1a4g n ARG 146 Cb 0.09 -1.46 -0.06 0.00 0.45 0.00 0.00 32.46 31.47 1a4g n ARG 146 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1a4g s GLU 147 N -1.31 4.04 0.01 -0.14 2.12 -0.78 -5.03 118.70 117.61 1a4g s GLU 147 Ca 0.36 0.56 -0.20 0.00 0.36 0.00 0.00 54.97 56.05 1a4g s GLU 147 Cb 0.21 -3.14 -0.22 0.00 0.26 0.00 0.00 34.13 31.24 1a4g s GLU 147 CO 0.28 0.61 1.12 -0.44 -0.54 0.00 0.00 175.26 176.29 1a4g h ASP 148 N 4.27 0.51 -4.29 -1.70 3.32 -1.91 -3.47 116.42 113.15 1a4g h ASP 148 Ca -0.50 -0.73 -0.53 0.00 0.02 0.00 0.00 57.03 55.29 1a4g h ASP 148 Cb 1.21 -0.15 -0.29 0.00 0.22 0.00 0.00 39.33 40.32 1a4g h ASP 148 CO 0.64 1.17 -0.83 -0.13 -1.72 0.00 0.00 179.24 178.37 1a4g s ARG 149 N -3.31 1.34 0.11 3.56 0.52 -1.26 -4.90 118.95 115.00 1a4g s ARG 149 Ca -0.13 -0.62 -0.25 0.00 -0.52 0.00 0.00 55.73 54.20 1a4g s ARG 149 Cb 0.04 -1.30 0.08 0.00 0.52 0.00 0.00 34.95 34.29 1a4g s ARG 149 CO 0.81 0.35 1.09 0.54 0.02 0.00 0.00 175.30 178.12 1a4g s ASN 150 N -0.47 -0.06 0.00 0.23 2.20 -1.26 -5.04 114.94 110.53 1a4g s ASN 150 Ca 0.06 -0.44 0.25 0.00 -0.94 0.00 0.00 52.86 51.80 1a4g s ASN 150 Cb -0.07 0.39 1.16 0.00 -2.00 0.00 0.00 41.25 40.74 1a4g s ASN 150 CO -0.00 -0.75 1.83 0.29 -2.94 0.00 0.00 177.10 175.52 1a4g n LYS 151 N -0.61 0.14 -0.07 3.55 5.02 -1.26 -3.77 118.16 121.16 1a4g n LYS 151 Ca -0.04 0.06 -0.04 0.00 -2.02 0.00 0.00 58.31 56.27 1a4g n LYS 151 Cb 0.60 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.42 0.08 -4.70 -0.35 7.99 -1.26 -5.00 117.00 112.34 1a4g n LEU 152 Ca 0.08 0.04 -0.42 0.00 -0.01 0.00 0.00 56.01 55.70 1a4g n LEU 152 Cb 0.26 0.33 -0.00 0.00 -0.11 0.00 0.00 43.42 43.90 1a4g n LEU 152 CO 0.22 0.34 0.91 0.54 -1.51 0.00 0.00 177.39 177.89 1a4g n ARG 153 N -2.64 2.12 -3.87 3.23 1.74 -1.25 -4.56 116.66 111.43 1a4g n ARG 153 Ca -0.23 0.74 -0.11 0.00 -0.77 0.00 0.00 57.85 57.48 1a4g n ARG 153 Cb 0.98 -2.36 -0.10 0.00 -1.02 0.00 0.00 32.46 29.96 1a4g n ARG 153 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1a4g s HIS 154 N -1.12 0.04 -0.14 -1.55 3.76 -1.04 -1.27 115.29 113.97 1a4g s HIS 154 Ca 0.56 -0.11 -0.29 0.00 -0.15 0.00 0.00 55.06 55.07 1a4g s HIS 154 Cb -0.55 -0.05 -0.01 0.00 1.11 0.00 0.00 32.58 33.08 1a4g s HIS 154 CO 0.62 -0.26 1.03 -1.17 -0.85 0.00 0.00 174.74 174.10 1a4g s LEU 155 N -1.25 4.20 0.36 0.89 2.96 -0.68 -0.87 118.68 124.29 1a4g s LEU 155 Ca -0.13 1.49 0.05 0.00 -0.22 0.00 0.00 54.13 55.32 1a4g s LEU 155 Cb -0.07 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 1a4g s LEU 155 CO 0.01 -0.52 0.04 0.27 -1.32 0.00 0.00 176.35 174.82 1a4g s ILE 156 N 2.40 1.56 0.15 6.68 -5.25 -0.34 -0.86 121.20 125.54 1a4g s ILE 156 Ca 0.47 -2.00 -0.24 0.00 -0.99 0.00 0.00 60.65 57.90 1a4g s ILE 156 Cb -0.17 -2.89 0.07 0.00 2.95 0.00 0.00 42.46 42.41 1a4g s ILE 156 CO 0.14 -0.00 0.60 -0.94 -1.79 0.00 0.00 174.94 172.96 1a4g s SER 157 N -3.59 -0.58 0.18 4.36 1.04 -0.88 -2.26 113.70 111.98 1a4g s SER 157 Ca 0.36 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.85 1a4g s SER 157 Cb 0.09 0.60 -0.05 0.00 0.10 0.00 0.00 66.02 66.76 1a4g s SER 157 CO 0.17 -0.95 0.01 0.68 0.98 0.00 0.00 173.24 174.13 1a4g s VAL 158 N -3.59 0.70 0.26 5.02 -7.23 -0.92 -0.82 120.40 113.83 1a4g s VAL 158 Ca 0.00 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.89 1a4g s VAL 158 Cb -0.01 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.65 1a4g s VAL 158 CO -0.12 -0.42 1.37 -0.75 -0.31 0.00 0.00 175.10 174.87 1a4g s LYS 159 N -3.92 4.32 0.12 4.82 2.20 -1.26 -0.70 119.74 125.32 1a4g s LYS 159 Ca 0.25 2.23 -0.33 0.00 -0.36 0.00 0.00 55.97 57.76 1a4g s LYS 159 Cb 0.06 -3.11 -0.12 0.00 -1.51 0.00 0.00 37.83 33.14 1a4g s LYS 159 CO 0.05 -0.31 1.74 -0.11 -0.36 0.00 0.00 175.35 176.35 1a4g n LEU 160 N 1.91 3.63 0.00 5.43 7.94 -0.50 -1.64 117.00 133.77 1a4g n LEU 160 Ca 0.04 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 1a4g n LEU 160 Cb 0.41 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1a4g n LEU 160 CO 0.60 -0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 1a4g n GLY 161 N 3.93 2.47 3.89 -3.96 0.00 -1.26 -4.92 105.19 105.34 1a4g n GLY 161 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.47 3.68 -0.11 1.61 -0.14 -0.65 -5.07 119.74 118.60 1a4g s LYS 162 Ca 0.00 0.06 -0.27 0.00 -1.36 0.00 0.00 55.97 54.39 1a4g s LYS 162 Cb 0.00 -2.71 -0.02 0.00 -1.68 0.00 0.00 37.83 33.42 1a4g s LYS 162 CO 0.00 0.33 0.90 0.42 -0.76 0.00 0.00 175.35 176.24 1a4g s ILE 163 N -1.86 4.87 -1.16 2.17 -1.09 -1.26 -4.88 121.20 117.99 1a4g s ILE 163 Ca 0.44 1.82 -0.22 0.00 -2.23 0.00 0.00 60.65 60.46 1a4g s ILE 163 Cb -0.11 -4.22 -0.03 0.00 -1.58 0.00 0.00 42.46 36.52 1a4g s ILE 163 CO 0.25 0.07 1.84 -2.84 -1.23 0.00 0.00 174.94 173.04 1a4g s PRO 164 N 1.74 2.98 0.56 2.79 0.02 -1.26 -4.71 135.00 137.11 1a4g s PRO 164 Ca 0.44 -1.24 0.07 0.00 0.02 0.00 0.00 61.00 60.29 1a4g s PRO 164 Cb -0.18 -5.30 0.07 0.00 0.02 0.00 0.00 34.50 29.11 1a4g s PRO 164 CO 0.18 -3.30 0.77 0.95 -0.33 0.00 0.00 177.00 175.26 1a4g s THR 165 N 8.63 2.39 0.20 0.99 -4.23 -1.26 -2.06 115.64 120.30 1a4g s THR 165 Ca 0.63 -0.91 -0.13 0.00 -1.18 0.00 0.00 61.69 60.10 1a4g s THR 165 Cb -0.00 -2.48 0.17 0.00 1.34 0.00 0.00 72.50 71.53 1a4g s THR 165 CO 0.08 0.00 1.66 0.58 -0.54 0.00 0.00 174.62 176.40 1a4g h VAL 166 N 0.17 0.51 0.05 2.29 2.07 -1.62 -2.21 116.25 117.52 1a4g h VAL 166 Ca -0.34 -0.03 -0.29 0.00 0.82 0.00 0.00 66.70 66.86 1a4g h VAL 166 Cb 1.28 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1a4g h VAL 166 CO 0.42 0.01 -1.52 -0.33 0.02 0.00 0.00 177.57 176.18 1a4g h GLU 167 N 0.08 0.11 -0.02 1.57 5.08 -1.95 -3.35 114.58 116.10 1a4g h GLU 167 Ca 0.28 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 1a4g h GLU 167 Cb 0.45 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1a4g h GLU 167 CO -0.51 0.88 -0.69 -0.91 -1.00 0.00 0.00 179.01 176.78 1a4g h ASN 168 N 0.03 0.14 -4.29 1.42 -0.26 -1.82 -3.46 115.58 107.34 1a4g h ASN 168 Ca -0.22 -0.09 -0.51 0.00 -0.56 0.00 0.00 56.30 54.92 1a4g h ASN 168 Cb 1.97 -0.04 0.09 0.00 -1.06 0.00 0.00 38.32 39.28 1a4g h ASN 168 CO 0.12 0.79 0.36 -0.44 -1.06 0.00 0.00 177.43 177.20 1a4g s SER 169 N -6.87 5.32 -0.12 5.81 0.01 -0.84 -4.75 113.70 112.26 1a4g s SER 169 Ca -0.02 1.73 -0.01 0.00 1.31 0.00 0.00 55.95 58.96 1a4g s SER 169 Cb 0.12 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1a4g s SER 169 CO 0.79 -1.49 -0.07 -0.63 0.41 0.00 0.00 173.24 172.26 1a4g s ILE 170 N -2.81 3.67 -0.29 1.44 -1.09 0.00 -4.95 121.20 117.18 1a4g s ILE 170 Ca 0.61 -0.46 -0.17 0.00 -2.23 0.00 0.00 60.65 58.40 1a4g s ILE 170 Cb -0.16 -2.56 -0.02 0.00 -1.58 0.00 0.00 42.46 38.14 1a4g s ILE 170 CO 0.49 0.54 0.46 -0.36 -1.23 0.00 0.00 174.94 174.84 1a4g s PHE 171 N -0.05 3.23 -0.18 3.97 0.40 -1.26 -2.08 117.98 122.02 1a4g s PHE 171 Ca 0.00 0.41 -0.20 0.00 -0.60 0.00 0.00 56.93 56.54 1a4g s PHE 171 Cb -0.13 -2.73 -0.22 0.00 0.51 0.00 0.00 43.02 40.45 1a4g s PHE 171 CO 0.03 -0.35 0.34 0.45 0.70 0.00 0.00 175.22 176.39 1a4g h HIS 172 N 8.21 0.11 -2.03 0.36 3.86 -1.37 -3.49 115.15 120.80 1a4g h HIS 172 Ca -0.29 -0.08 0.20 0.00 -1.16 0.00 0.00 60.37 59.03 1a4g h HIS 172 Cb 1.14 -0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.48 1a4g h HIS 172 CO 0.74 1.47 0.60 0.00 0.86 0.00 0.00 177.93 181.61 1a4g s MET 173 N -2.38 0.80 0.14 2.45 0.23 -1.24 -5.02 119.30 114.28 1a4g s MET 173 Ca -0.26 -0.39 -0.31 0.00 -1.03 0.00 0.00 55.69 53.71 1a4g s MET 173 Cb 0.05 0.31 -0.08 0.00 -1.53 0.00 0.00 34.83 33.58 1a4g s MET 173 CO 0.64 -0.36 1.33 0.00 -2.03 0.00 0.00 175.02 174.60 1a4g s ALA 174 N -2.95 3.54 -0.29 3.16 0.00 -1.26 -1.69 121.76 122.26 1a4g s ALA 174 Ca 0.10 1.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.96 1a4g s ALA 174 Cb -0.00 -3.50 0.16 0.00 0.00 0.00 0.00 23.12 19.78 1a4g s ALA 174 CO -0.03 -0.56 1.08 0.00 0.00 0.00 0.00 175.76 176.25 1a4g s ALA 175 N 0.68 -2.30 -0.37 0.00 0.00 -0.40 -4.48 121.76 114.89 1a4g s ALA 175 Ca 0.61 2.06 0.12 0.00 0.00 0.00 0.00 51.96 54.75 1a4g s ALA 175 Cb -0.36 -1.73 0.33 0.00 0.00 0.00 0.00 23.12 21.36 1a4g s ALA 175 CO 0.33 -0.30 1.25 -2.67 0.00 0.00 0.00 175.76 174.37 1a4g n TRP 176 N 3.14 0.47 -3.65 0.00 4.27 0.65 -2.57 117.44 119.75 1a4g n TRP 176 Ca -0.17 -0.72 -0.09 0.00 -3.89 0.00 0.00 57.50 52.64 1a4g n TRP 176 Cb 0.57 -0.15 -0.07 0.00 -1.36 0.00 0.00 31.31 30.29 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 -1.65 -0.87 0.34 -0.67 0.15 -1.22 -4.92 113.70 104.86 1a4g s SER 177 Ca 0.27 1.44 0.03 0.00 0.70 0.00 0.00 55.95 58.39 1a4g s SER 177 Cb 0.20 1.33 -0.02 0.00 -1.71 0.00 0.00 66.02 65.83 1a4g s SER 177 CO 0.08 -0.24 0.37 -0.83 1.20 0.00 0.00 173.24 173.83 1a4g s GLY 178 N 1.39 1.95 0.01 9.45 0.00 -1.26 -0.75 107.32 118.11 1a4g s GLY 178 Ca -0.08 -1.83 -0.29 0.00 0.00 0.00 0.00 44.72 42.52 1a4g s GLY 178 CO -0.16 -1.26 1.07 -0.45 0.00 0.00 0.00 173.10 172.31 1a4g s SER 179 N -3.31 -0.18 -0.17 1.64 0.15 -0.76 -1.01 113.70 110.06 1a4g s SER 179 Ca 0.36 -0.17 -0.30 0.00 0.70 0.00 0.00 55.95 56.54 1a4g s SER 179 Cb 0.01 0.32 0.14 0.00 -1.71 0.00 0.00 66.02 64.78 1a4g s SER 179 CO 0.24 -0.56 1.09 0.00 1.20 0.00 0.00 173.24 175.21 1a4g s ALA 180 N -2.87 -1.98 0.08 5.45 0.00 -1.26 -0.55 121.76 120.63 1a4g s ALA 180 Ca 0.11 1.59 -0.26 0.00 0.00 0.00 0.00 51.96 53.40 1a4g s ALA 180 Cb 0.00 -0.69 0.09 0.00 0.00 0.00 0.00 23.12 22.52 1a4g s ALA 180 CO -0.03 -0.37 0.74 0.00 0.00 0.00 0.00 175.76 176.10 1a4g s HIS 182 N -3.40 2.88 -1.86 0.00 2.46 -1.26 -0.92 115.29 113.19 1a4g s HIS 182 Ca 0.03 -0.25 0.22 0.00 0.47 0.00 0.00 55.06 55.53 1a4g s HIS 182 Cb -0.01 -1.79 0.66 0.00 -0.13 0.00 0.00 32.58 31.32 1a4g s HIS 182 CO -0.11 0.09 1.56 -0.40 -2.47 0.00 0.00 174.74 173.41 1a4g n ASP 183 N 2.86 4.09 0.00 9.88 5.68 -0.63 -4.66 116.55 133.77 1a4g n ASP 183 Ca -0.18 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.05 1a4g n ASP 183 Cb 0.53 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 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 1.60 2.44 0.12 6.12 0.00 -1.26 -1.48 105.19 112.73 1a4g n GLY 184 Ca 0.25 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 0.30 -3.92 1.61 1.74 -1.26 -4.63 116.66 110.50 1a4g n ARG 185 Ca 0.00 0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 57.06 1a4g n ARG 185 Cb 0.00 -1.21 -0.06 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.24 1.35 0.02 5.56 2.56 -1.26 -5.04 118.70 119.65 1a4g s GLU 186 Ca -0.17 -1.13 -0.16 0.00 0.00 0.00 0.00 54.97 53.52 1a4g s GLU 186 Cb 0.05 0.45 -0.06 0.00 2.00 0.00 0.00 34.13 36.56 1a4g s GLU 186 CO 0.28 -0.54 0.45 -1.58 -0.56 0.00 0.00 175.26 173.31 1a4g s TRP 187 N -3.96 3.75 -0.13 5.30 0.52 -1.26 -1.61 118.94 121.55 1a4g s TRP 187 Ca 0.17 1.08 0.01 0.00 0.02 0.00 0.00 56.10 57.38 1a4g s TRP 187 Cb 0.01 -2.35 -0.01 0.00 -1.15 0.00 0.00 33.47 29.97 1a4g s TRP 187 CO 0.03 0.63 -0.17 0.99 0.02 0.00 0.00 176.95 178.45 1a4g s THR 188 N -1.09 2.64 -0.05 2.01 2.01 -0.10 -1.38 115.64 119.68 1a4g s THR 188 Ca 0.25 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.51 1a4g s THR 188 Cb -0.17 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 1a4g s THR 188 CO 0.15 0.53 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.08 1a4g s TYR 189 N 0.55 2.49 -0.06 4.92 2.02 -0.06 -1.63 117.35 125.58 1a4g s TYR 189 Ca -0.10 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.11 1a4g s TYR 189 Cb -0.16 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 1a4g s TYR 189 CO 0.04 -0.08 -0.15 0.42 -1.57 0.00 0.00 175.55 174.20 1a4g s ILE 190 N -0.37 1.34 0.01 2.71 1.09 0.29 -1.08 121.20 125.20 1a4g s ILE 190 Ca 0.03 -0.63 0.01 0.00 -1.10 0.00 0.00 60.65 58.95 1a4g s ILE 190 Cb -0.12 -1.18 -0.01 0.00 -1.06 0.00 0.00 42.46 40.08 1a4g s ILE 190 CO 0.02 0.40 -0.04 -0.83 -0.10 0.00 0.00 174.94 174.38 1a4g s GLY 191 N 0.33 0.26 -0.12 6.18 0.00 -0.65 -1.82 107.32 111.50 1a4g s GLY 191 Ca -0.10 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.26 1a4g s GLY 191 CO 0.03 -0.41 -0.23 0.14 0.00 0.00 0.00 173.10 172.63 1a4g s VAL 192 N -0.72 2.09 0.15 1.40 1.01 0.07 -0.83 120.40 123.56 1a4g s VAL 192 Ca -0.06 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 1a4g s VAL 192 Cb -0.05 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1a4g s VAL 192 CO -0.00 0.55 0.20 -0.90 0.00 0.00 0.00 175.10 174.95 1a4g n ASP 193 N 3.73 -0.55 0.00 3.32 5.75 -1.10 -0.25 116.55 127.45 1a4g n ASP 193 Ca -0.19 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1a4g n ASP 193 Cb 0.52 1.04 0.00 0.00 -1.03 0.00 0.00 41.12 41.66 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 -0.25 1.83 3.75 6.12 0.00 -1.26 -0.19 105.19 115.19 1a4g n GLY 194 Ca 0.01 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.62 2.60 0.29 1.61 0.04 -1.25 -4.73 135.00 131.95 1a4g s PRO 195 Ca 0.00 1.59 0.04 0.00 0.04 0.00 0.00 61.00 62.67 1a4g s PRO 195 Cb 0.00 -1.91 0.68 0.00 0.04 0.00 0.00 34.50 33.31 1a4g s PRO 195 CO 0.00 -1.44 1.79 -0.44 0.04 0.00 0.00 177.00 176.95 1a4g h ASP 196 N 0.08 0.81 0.83 6.66 3.32 -1.97 -0.28 116.42 125.87 1a4g h ASP 196 Ca -0.48 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1a4g h ASP 196 Cb 1.27 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1a4g h ASP 196 CO 0.53 0.33 0.00 -1.54 -1.72 0.00 0.00 179.24 176.84 1a4g n SER 197 N -4.73 0.00 -2.73 6.45 3.41 -1.26 -0.37 113.62 114.38 1a4g n SER 197 Ca 0.22 0.42 -0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1a4g n SER 197 Cb 0.51 -0.47 0.07 0.00 -0.26 0.00 0.00 64.21 64.06 1a4g n SER 197 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a4g n ASN 198 N -1.47 -2.40 -4.25 4.04 5.15 -0.19 -4.30 115.26 111.85 1a4g n ASN 198 Ca 0.07 -3.22 -0.28 0.00 -0.60 0.00 0.00 54.58 50.55 1a4g n ASN 198 Cb 0.29 1.73 0.17 0.00 -0.53 0.00 0.00 39.78 41.43 1a4g n ASN 198 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a4g s ALA 199 N 0.42 2.60 -0.09 5.20 0.00 -0.74 -3.87 121.76 125.28 1a4g s ALA 199 Ca 0.26 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1a4g s ALA 199 Cb 0.26 -2.57 0.04 0.00 0.00 0.00 0.00 23.12 20.86 1a4g s ALA 199 CO -0.15 -2.22 0.19 -1.17 0.00 0.00 0.00 175.76 172.41 1a4g s LEU 200 N -5.71 0.45 -0.11 0.00 2.96 0.74 -3.24 118.68 113.77 1a4g s LEU 200 Ca 0.73 0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 54.74 1a4g s LEU 200 Cb -0.04 0.51 -0.01 0.00 0.50 0.00 0.00 46.19 47.15 1a4g s LEU 200 CO 0.51 -0.17 1.04 -0.63 -1.32 0.00 0.00 176.35 175.78 1a4g s ILE 201 N 1.42 4.69 -0.08 6.68 -1.09 -0.79 -2.72 121.20 129.31 1a4g s ILE 201 Ca -0.07 1.97 0.04 0.00 -2.23 0.00 0.00 60.65 60.36 1a4g s ILE 201 Cb -0.11 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 1a4g s ILE 201 CO -0.07 -0.01 -0.22 -0.54 -1.23 0.00 0.00 174.94 172.87 1a4g s LYS 202 N 2.16 2.65 -0.08 2.79 1.02 -0.01 -1.29 119.74 126.99 1a4g s LYS 202 Ca 0.49 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.74 1a4g s LYS 202 Cb -0.19 -2.07 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 1a4g s LYS 202 CO 0.17 0.18 -0.21 0.42 -0.92 0.00 0.00 175.35 175.00 1a4g s ILE 203 N 0.31 2.38 -0.01 2.17 1.01 -0.37 -1.63 121.20 125.05 1a4g s ILE 203 Ca -0.15 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.62 1a4g s ILE 203 Cb -0.17 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1a4g s ILE 203 CO 0.07 0.56 -0.20 -0.75 0.00 0.00 0.00 174.94 174.62 1a4g s LYS 204 N -0.03 1.62 -0.24 2.79 2.20 -0.24 -0.57 119.74 125.28 1a4g s LYS 204 Ca -0.06 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 1a4g s LYS 204 Cb -0.15 -1.58 0.06 0.00 -1.51 0.00 0.00 37.83 34.66 1a4g s LYS 204 CO 0.05 0.43 -0.05 -0.47 -0.36 0.00 0.00 175.35 174.95 1a4g s TYR 205 N -0.49 2.40 0.00 4.03 5.04 0.27 -0.88 117.35 127.72 1a4g s TYR 205 Ca 0.08 -1.76 0.00 0.00 -2.44 0.00 0.00 57.07 52.95 1a4g s TYR 205 Cb -0.08 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.65 1a4g s TYR 205 CO -0.01 -0.78 0.00 0.41 -1.34 0.00 0.00 175.55 173.84 1a4g n GLY 206 N 4.67 3.66 0.19 8.97 0.00 -0.48 -1.81 105.19 120.38 1a4g n GLY 206 Ca -0.12 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.40 1.61 4.39 -1.95 -3.47 114.58 109.77 1a4g h GLU 207 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1a4g h GLU 207 Cb 0.00 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.53 1a4g h GLU 207 CO 0.00 0.00 -0.23 0.00 -1.16 0.00 0.00 179.01 177.62 1a4g s ALA 208 N -3.22 3.56 -0.07 3.43 0.00 -0.75 -5.04 121.76 119.66 1a4g s ALA 208 Ca 0.06 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 1a4g s ALA 208 Cb 0.07 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1a4g s ALA 208 CO 0.68 -0.27 1.24 0.71 0.00 0.00 0.00 175.76 178.13 1a4g s TYR 209 N 1.25 3.07 0.00 0.00 2.02 -1.26 -0.57 117.35 121.86 1a4g s TYR 209 Ca 0.18 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.99 1a4g s TYR 209 Cb -0.15 -3.48 0.00 0.00 -0.40 0.00 0.00 41.96 37.94 1a4g s TYR 209 CO 0.08 -1.57 0.00 0.25 -1.57 0.00 0.00 175.55 172.73 1a4g n THR 210 N 4.77 0.00 -3.78 -0.71 -2.24 0.27 -4.95 114.28 107.64 1a4g n THR 210 Ca 0.12 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.86 1a4g n THR 210 Cb 0.46 -0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.41 -0.17 0.18 3.42 -1.08 -1.17 -4.78 116.67 110.67 1a4g s ASP 211 Ca 0.00 -0.46 -0.07 0.00 -0.52 0.00 0.00 52.55 51.50 1a4g s ASP 211 Cb 0.00 0.52 -0.02 0.00 -1.46 0.00 0.00 42.92 41.96 1a4g s ASP 211 CO 0.00 -0.98 0.25 0.42 0.52 0.00 0.00 175.17 175.38 1a4g s THR 212 N -3.27 0.04 -0.00 1.71 -4.23 -1.26 -1.24 115.64 107.39 1a4g s THR 212 Ca 0.13 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 58.99 1a4g s THR 212 Cb -0.02 -2.09 -0.00 0.00 1.34 0.00 0.00 72.50 71.72 1a4g s THR 212 CO 0.03 -0.20 0.05 -0.47 -0.54 0.00 0.00 174.62 173.49 1a4g s TYR 213 N -4.03 0.08 0.17 3.99 5.04 -0.41 -4.97 117.35 117.21 1a4g s TYR 213 Ca 0.24 -0.16 0.02 0.00 -2.44 0.00 0.00 57.07 54.74 1a4g s TYR 213 Cb 0.04 -0.07 -0.04 0.00 0.35 0.00 0.00 41.96 42.24 1a4g s TYR 213 CO 0.05 -0.16 0.31 -1.01 -1.34 0.00 0.00 175.55 173.40 1a4g s HIS 214 N -0.88 3.48 0.12 4.97 3.76 -1.26 -1.88 115.29 123.60 1a4g s HIS 214 Ca -0.10 0.12 -0.31 0.00 -0.15 0.00 0.00 55.06 54.63 1a4g s HIS 214 Cb -0.06 -1.67 -0.09 0.00 1.11 0.00 0.00 32.58 31.86 1a4g s HIS 214 CO 0.00 0.49 1.66 0.45 -0.85 0.00 0.00 174.74 176.49 1a4g s SER 215 N -3.32 6.55 0.00 1.40 0.15 -1.20 -4.92 113.70 112.36 1a4g s SER 215 Ca 0.35 2.60 0.15 0.00 0.70 0.00 0.00 55.95 59.75 1a4g s SER 215 Cb -0.11 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.69 1a4g s SER 215 CO 0.29 -0.89 0.91 0.00 1.20 0.00 0.00 173.24 174.74 1a4g n TYR 216 N 4.94 0.00 -1.11 3.44 0.18 -1.26 -4.54 117.16 118.80 1a4g n TYR 216 Ca 0.15 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.93 1a4g n TYR 216 Cb 0.39 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.35 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 0.43 1.05 -3.68 -3.48 0.00 -1.26 -5.05 120.51 108.53 1a4g n ALA 217 Ca 0.08 -0.49 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 1a4g n ALA 217 Cb 0.35 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 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 0.00 0.20 -3.03 0.00 4.13 -1.26 -4.59 115.26 110.70 1a4g n ASN 218 Ca 0.00 -0.80 -0.09 0.00 1.68 0.00 0.00 54.58 55.37 1a4g n ASN 218 Cb 0.51 -0.99 -0.02 0.00 -1.54 0.00 0.00 39.78 37.73 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 -3.90 -0.61 -0.54 6.41 3.84 -1.25 -4.44 114.94 114.45 1a4g s ASN 219 Ca 0.04 -1.79 -0.18 0.00 0.21 0.00 0.00 52.86 51.14 1a4g s ASN 219 Cb -0.02 1.32 0.02 0.00 -0.55 0.00 0.00 41.25 42.02 1a4g s ASN 219 CO 0.62 -0.12 0.64 -0.38 -2.79 0.00 0.00 177.10 175.07 1a4g n ILE 220 N 3.36 -8.11 -1.91 -5.21 5.41 0.50 -0.69 119.36 112.70 1a4g n ILE 220 Ca 0.18 0.37 -0.41 0.00 1.00 0.00 0.00 62.75 63.89 1a4g n ILE 220 Cb 0.53 -5.72 -0.02 0.00 -0.71 0.00 0.00 39.64 33.72 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 -3.09 4.36 0.24 1.39 2.96 -1.26 -4.42 118.68 118.87 1a4g s LEU 221 Ca 0.21 2.84 -0.18 0.00 -0.22 0.00 0.00 54.13 56.78 1a4g s LEU 221 Cb -0.04 -3.64 0.02 0.00 0.50 0.00 0.00 46.19 43.03 1a4g s LEU 221 CO 0.81 -0.79 0.60 0.00 -1.32 0.00 0.00 176.35 175.65 1a4g s ARG 222 N -0.89 1.59 0.00 1.98 1.70 -0.05 -4.83 118.95 118.46 1a4g s ARG 222 Ca 0.58 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.84 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 0.50 -0.70 0.00 -2.37 -1.08 0.00 0.00 175.30 171.65 1a4g n THR 223 N -0.40 0.00 -0.08 4.99 5.66 -1.26 -1.20 114.28 121.99 1a4g n THR 223 Ca -0.06 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.88 1a4g n THR 223 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 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 0.13 -1.88 1.09 4.20 -1.73 -3.39 115.11 113.53 1a4g h GLN 224 Ca 0.00 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 1a4g h GLN 224 Cb 0.00 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.76 1a4g h GLN 224 CO 0.00 0.09 -0.28 0.39 -0.67 0.00 0.00 178.83 178.36 1a4g n GLU 225 N -5.12 -1.52 -3.76 1.46 -0.58 -0.18 -4.44 120.64 106.51 1a4g n GLU 225 Ca -0.00 0.47 -0.08 0.00 -0.42 0.00 0.00 57.16 57.12 1a4g n GLU 225 Cb 0.14 -4.45 -0.02 0.00 -0.57 0.00 0.00 31.44 26.54 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 -2.69 -0.32 0.34 1.62 1.04 -1.25 -4.65 113.70 107.79 1a4g s SER 226 Ca 0.07 -0.48 -0.28 0.00 0.48 0.00 0.00 55.95 55.74 1a4g s SER 226 Cb -0.03 0.68 -0.12 0.00 0.10 0.00 0.00 66.02 66.65 1a4g s SER 226 CO 0.08 -1.23 1.26 0.00 0.98 0.00 0.00 173.24 174.33 1a4g n ALA 227 N -0.43 1.14 -1.96 5.32 0.00 -1.26 -4.34 120.51 118.97 1a4g n ALA 227 Ca -0.07 0.35 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 1a4g n ALA 227 Cb 0.61 -2.23 0.16 0.00 0.00 0.00 0.00 19.45 17.99 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 -4.87 1.97 -0.08 0.00 -0.87 -0.96 -4.66 114.94 105.47 1a4g s ASN 229 Ca 0.72 -0.23 0.01 0.00 -1.57 0.00 0.00 52.86 51.79 1a4g s ASN 229 Cb -0.03 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.25 40.48 1a4g s ASN 229 CO 0.50 -0.15 -0.07 0.00 -2.57 0.00 0.00 177.10 174.81 1a4g s ILE 231 N -0.68 -0.00 -1.87 0.00 2.07 -0.02 -4.57 121.20 116.12 1a4g s ILE 231 Ca 0.10 0.27 0.00 0.00 -1.41 0.00 0.00 60.65 59.62 1a4g s ILE 231 Cb -0.11 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.30 1a4g s ILE 231 CO 0.02 0.15 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 1a4g n GLY 232 N 4.70 1.68 0.38 1.50 0.00 -0.69 -0.68 105.19 112.07 1a4g n GLY 232 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.20 0.47 3.62 -0.02 0.00 -1.26 -4.99 105.19 102.80 1a4g n GLY 233 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.61 6.08 -0.20 1.61 1.01 0.14 -4.25 116.67 118.46 1a4g s ASP 234 Ca 0.00 0.07 -0.06 0.00 0.71 0.00 0.00 52.55 53.27 1a4g s ASP 234 Cb 0.00 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.77 1a4g s ASP 234 CO 0.00 -0.02 0.03 0.00 0.21 0.00 0.00 175.17 175.38 1a4g s TYR 236 N 0.80 3.33 -0.08 0.00 1.51 -0.01 -0.52 117.35 122.38 1a4g s TYR 236 Ca 0.02 0.29 -0.04 0.00 -1.01 0.00 0.00 57.07 56.33 1a4g s TYR 236 Cb -0.14 -1.81 0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1a4g s TYR 236 CO 0.02 0.57 0.18 -1.17 -1.11 0.00 0.00 175.55 174.05 1a4g s LEU 237 N -1.26 0.45 0.13 -1.29 2.96 -0.18 -2.27 118.68 117.21 1a4g s LEU 237 Ca 0.18 0.38 -0.28 0.00 -0.22 0.00 0.00 54.13 54.19 1a4g s LEU 237 Cb -0.12 0.47 -0.07 0.00 0.50 0.00 0.00 46.19 46.98 1a4g s LEU 237 CO 0.07 -0.17 0.87 -0.32 -1.32 0.00 0.00 176.35 175.48 1a4g s MET 238 N 1.44 4.65 0.13 1.98 -2.45 -1.26 -0.62 119.30 123.16 1a4g s MET 238 Ca -0.07 1.30 0.05 0.00 -1.25 0.00 0.00 55.69 55.72 1a4g s MET 238 Cb -0.11 -3.33 -0.04 0.00 1.25 0.00 0.00 34.83 32.59 1a4g s MET 238 CO -0.07 0.35 -0.12 0.96 1.05 0.00 0.00 175.02 177.20 1a4g s ILE 239 N -0.44 1.18 0.22 10.11 -4.36 -0.19 -3.58 121.20 124.14 1a4g s ILE 239 Ca 0.41 -1.82 -0.11 0.00 -0.26 0.00 0.00 60.65 58.87 1a4g s ILE 239 Cb -0.23 -1.60 -0.01 0.00 1.25 0.00 0.00 42.46 41.87 1a4g s ILE 239 CO 0.28 -0.57 0.41 0.28 0.24 0.00 0.00 174.94 175.57 1a4g s THR 240 N -2.64 0.02 -0.28 8.37 -1.32 -0.34 -0.92 115.64 118.53 1a4g s THR 240 Ca 0.11 -1.41 -0.23 0.00 -1.21 0.00 0.00 61.69 58.95 1a4g s THR 240 Cb -0.02 -2.10 0.10 0.00 -1.51 0.00 0.00 72.50 68.98 1a4g s THR 240 CO 0.01 -0.08 0.88 -0.62 -2.21 0.00 0.00 174.62 172.61 1a4g s ASP 241 N -3.01 -0.61 0.00 8.08 -1.08 -1.26 -0.87 116.67 117.92 1a4g s ASP 241 Ca 0.22 1.13 0.00 0.00 -0.52 0.00 0.00 52.55 53.38 1a4g s ASP 241 Cb 0.01 1.17 0.00 0.00 -1.46 0.00 0.00 42.92 42.64 1a4g s ASP 241 CO 0.06 -0.19 0.00 0.61 0.52 0.00 0.00 175.17 176.17 1a4g n GLY 242 N 2.69 1.33 3.76 2.66 0.00 0.14 -3.54 105.19 112.22 1a4g n GLY 242 Ca -0.14 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 1a4g n GLY 242 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a4g s SER 243 N 0.00 6.89 0.16 1.61 0.15 -0.83 -4.64 113.70 117.04 1a4g s SER 243 Ca 0.00 2.52 0.20 0.00 0.70 0.00 0.00 55.95 59.36 1a4g s SER 243 Cb 0.00 -2.63 0.83 0.00 -1.71 0.00 0.00 66.02 62.51 1a4g s SER 243 CO 0.00 -0.48 1.60 0.00 1.20 0.00 0.00 173.24 175.57 1a4g n ALA 244 N 1.59 1.63 0.03 5.45 0.00 -1.26 -2.40 120.51 125.55 1a4g n ALA 244 Ca 0.02 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.51 1a4g n ALA 244 Cb 0.43 -1.32 0.03 0.00 0.00 0.00 0.00 19.45 18.59 1a4g n ALA 244 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1a4g n SER 245 N -1.94 1.88 0.00 0.00 7.64 -1.26 -4.11 113.62 115.82 1a4g n SER 245 Ca 0.03 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1a4g n SER 245 Cb 0.20 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1a4g n SER 245 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a4g n GLY 246 N -0.03 4.92 3.71 0.23 0.00 -1.01 -4.86 105.19 108.15 1a4g n GLY 246 Ca 0.03 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 1.64 4.92 -0.27 -0.61 1.01 -1.26 -4.72 121.20 121.91 1a4g s ILE 247 Ca 0.00 1.87 -0.04 0.00 0.00 0.00 0.00 60.65 62.48 1a4g s ILE 247 Cb 0.00 -4.23 0.09 0.00 0.01 0.00 0.00 42.46 38.33 1a4g s ILE 247 CO 0.00 0.18 0.13 -0.44 0.00 0.00 0.00 174.94 174.80 1a4g s SER 248 N 0.96 3.33 -0.36 3.58 0.01 -0.23 -1.96 113.70 119.03 1a4g s SER 248 Ca 0.47 -1.18 -0.17 0.00 1.31 0.00 0.00 55.95 56.38 1a4g s SER 248 Cb -0.20 -0.32 -0.00 0.00 0.21 0.00 0.00 66.02 65.71 1a4g s SER 248 CO 0.24 -0.43 0.45 -0.54 0.41 0.00 0.00 173.24 173.38 1a4g s LYS 249 N 2.11 3.49 0.83 12.44 1.02 -1.23 -1.65 119.74 136.75 1a4g s LYS 249 Ca 0.08 -0.37 -0.12 0.00 0.02 0.00 0.00 55.97 55.58 1a4g s LYS 249 Cb -0.16 -3.84 0.09 0.00 -0.52 0.00 0.00 37.83 33.40 1a4g s LYS 249 CO -0.33 -0.66 1.13 0.00 -0.92 0.00 0.00 175.35 174.58 1a4g s ARG 251 N -5.34 0.70 -0.07 0.00 0.52 -0.09 -4.49 118.95 110.17 1a4g s ARG 251 Ca 0.62 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 54.83 1a4g s ARG 251 Cb -0.13 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.59 1a4g s ARG 251 CO 0.52 -0.18 -0.16 -0.06 0.02 0.00 0.00 175.30 175.44 1a4g s PHE 252 N -3.66 2.68 -0.05 -0.53 0.40 -0.81 -1.03 117.98 114.98 1a4g s PHE 252 Ca 0.04 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1a4g s PHE 252 Cb 0.05 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 1a4g s PHE 252 CO -0.09 -0.00 0.04 -0.51 0.70 0.00 0.00 175.22 175.35 1a4g s LEU 253 N -0.32 3.74 -0.27 -0.37 1.43 0.21 -0.49 118.68 122.61 1a4g s LEU 253 Ca 0.02 0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.23 1a4g s LEU 253 Cb -0.13 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1a4g s LEU 253 CO 0.03 0.34 0.02 -0.75 0.23 0.00 0.00 176.35 176.22 1a4g s LYS 254 N -1.23 3.13 -0.09 1.70 2.20 -0.55 -1.01 119.74 123.87 1a4g s LYS 254 Ca 0.17 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1a4g s LYS 254 Cb -0.12 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 32.98 1a4g s LYS 254 CO 0.07 -0.37 -0.18 0.42 -0.36 0.00 0.00 175.35 174.93 1a4g s ILE 255 N 1.46 2.64 -0.10 5.43 1.01 0.32 -0.39 121.20 131.58 1a4g s ILE 255 Ca 0.03 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 1a4g s ILE 255 Cb -0.16 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.29 1a4g s ILE 255 CO -0.00 0.55 0.01 -0.60 0.00 0.00 0.00 174.94 174.90 1a4g s ARG 256 N 0.06 0.60 -1.42 2.79 3.52 0.45 -0.36 118.95 124.59 1a4g s ARG 256 Ca -0.07 -0.00 -0.09 0.00 -0.13 0.00 0.00 55.73 55.44 1a4g s ARG 256 Cb -0.15 -1.22 0.04 0.00 -1.56 0.00 0.00 34.95 32.06 1a4g s ARG 256 CO 0.05 -0.38 0.99 0.39 -0.81 0.00 0.00 175.30 175.54 1a4g n GLU 257 N 5.13 -6.19 -0.37 5.12 1.02 -1.26 -1.68 120.64 122.41 1a4g n GLU 257 Ca -0.07 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1a4g n GLU 257 Cb 0.49 -5.57 0.00 0.00 -0.02 0.00 0.00 31.44 26.34 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 -1.71 1.41 3.41 0.62 0.00 -1.26 -4.89 105.19 102.77 1a4g n GLY 258 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.31 3.00 -0.27 1.61 0.52 -0.67 -3.81 118.95 119.02 1a4g s ARG 259 Ca 0.00 -0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 54.23 1a4g s ARG 259 Cb 0.00 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.93 1a4g s ARG 259 CO 0.00 0.39 1.70 0.42 0.02 0.00 0.00 175.30 177.83 1a4g s ILE 260 N -0.12 3.59 -1.38 1.52 1.01 -1.26 -0.41 121.20 124.15 1a4g s ILE 260 Ca -0.01 0.64 0.19 0.00 0.00 0.00 0.00 60.65 61.47 1a4g s ILE 260 Cb -0.14 -3.68 -0.10 0.00 0.01 0.00 0.00 42.46 38.56 1a4g s ILE 260 CO 0.04 -0.35 0.90 2.30 0.00 0.00 0.00 174.94 177.82 1a4g n ILE 261 N 6.86 0.00 -3.56 2.92 -5.35 0.48 -4.95 119.36 115.76 1a4g n ILE 261 Ca 0.21 -0.19 -0.15 0.00 -0.27 0.00 0.00 62.75 62.35 1a4g n ILE 261 Cb 0.46 1.13 -0.06 0.00 -1.74 0.00 0.00 39.64 39.42 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 -2.47 0.87 -0.14 6.28 2.20 -1.09 -4.99 119.74 120.40 1a4g s LYS 262 Ca 0.12 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 56.09 1a4g s LYS 262 Cb 0.15 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.88 1a4g s LYS 262 CO 0.62 -0.25 -0.18 -1.21 -0.36 0.00 0.00 175.35 173.97 1a4g s GLU 263 N -0.88 3.16 -0.18 4.03 2.02 -1.26 -1.48 118.70 124.10 1a4g s GLU 263 Ca -0.06 -0.79 -0.04 0.00 0.02 0.00 0.00 54.97 54.10 1a4g s GLU 263 Cb -0.01 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 1a4g s GLU 263 CO 0.06 0.05 -0.03 0.42 0.02 0.00 0.00 175.26 175.78 1a4g s ILE 264 N 0.69 3.76 -0.34 -1.63 1.01 0.35 -4.99 121.20 120.05 1a4g s ILE 264 Ca -0.08 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 1a4g s ILE 264 Cb -0.16 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.65 1a4g s ILE 264 CO 0.01 0.45 0.18 -0.36 0.00 0.00 0.00 174.94 175.22 1a4g s PHE 265 N 0.84 3.21 0.74 3.97 0.40 -1.26 -1.92 117.98 123.96 1a4g s PHE 265 Ca -0.01 -0.83 -0.13 0.00 -0.60 0.00 0.00 56.93 55.37 1a4g s PHE 265 Cb -0.14 -2.39 0.04 0.00 0.51 0.00 0.00 43.02 41.04 1a4g s PHE 265 CO 0.02 -0.57 1.12 -2.14 0.70 0.00 0.00 175.22 174.35 1a4g s PRO 266 N 1.57 2.31 0.20 0.24 0.02 -1.26 -4.68 135.00 133.40 1a4g s PRO 266 Ca 0.03 1.40 0.10 0.00 0.02 0.00 0.00 61.00 62.55 1a4g s PRO 266 Cb -0.18 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1a4g s PRO 266 CO 0.06 -1.63 -0.12 0.99 -0.33 0.00 0.00 177.00 175.96 1a4g s THR 267 N -2.49 2.99 0.00 0.99 2.01 -0.53 -4.99 115.64 113.62 1a4g s THR 267 Ca 0.66 -1.80 0.00 0.00 0.31 0.00 0.00 61.69 60.86 1a4g s THR 267 Cb -0.21 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1a4g s THR 267 CO 0.49 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 1a4g n GLY 268 N -0.02 0.30 3.52 4.40 0.00 -1.26 -0.89 105.19 111.24 1a4g n GLY 268 Ca -0.10 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 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 3.50 0.00 1.61 3.00 0.71 -4.77 118.95 123.00 1a4g s ARG 269 Ca 0.00 -1.13 0.06 0.00 -1.00 0.00 0.00 55.73 53.67 1a4g s ARG 269 Cb 0.00 -5.00 0.16 0.00 0.00 0.00 0.00 34.95 30.11 1a4g s ARG 269 CO 0.00 -2.07 1.08 1.33 0.00 0.00 0.00 175.30 175.64 1a4g n VAL 270 N 6.41 0.84 -0.16 7.11 0.24 -1.26 -4.46 118.33 127.06 1a4g n VAL 270 Ca 0.24 -0.92 0.02 0.00 -2.04 0.00 0.00 64.34 61.64 1a4g n VAL 270 Cb 0.50 0.60 0.30 0.00 -1.47 0.00 0.00 33.84 33.77 1a4g n VAL 270 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1a4g h GLU 271 N 1.23 0.84 -1.82 7.34 9.09 -1.86 -3.38 114.58 126.01 1a4g h GLU 271 Ca 0.00 -0.05 -0.08 0.00 0.05 0.00 0.00 59.36 59.28 1a4g h GLU 271 Cb 0.58 -0.19 -0.27 0.00 -1.65 0.00 0.00 28.75 27.22 1a4g h GLU 271 CO 0.00 0.56 -0.40 -1.58 0.05 0.00 0.00 179.01 177.64 1a4g s HIS 272 N -5.74 -1.01 -0.06 2.06 5.04 -1.23 -1.06 115.29 113.28 1a4g s HIS 272 Ca -0.10 1.23 -0.01 0.00 -1.54 0.00 0.00 55.06 54.64 1a4g s HIS 272 Cb 0.18 0.23 0.03 0.00 0.04 0.00 0.00 32.58 33.06 1a4g s HIS 272 CO 0.77 -0.71 -0.01 0.99 -2.34 0.00 0.00 174.74 173.45 1a4g s THR 273 N 2.64 0.37 0.17 0.89 2.01 -0.66 -4.45 115.64 116.62 1a4g s THR 273 Ca 0.11 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.11 1a4g s THR 273 Cb -0.15 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.86 1a4g s THR 273 CO -0.16 0.24 0.26 -1.83 -0.69 0.00 0.00 174.62 172.43 1a4g s GLU 274 N 1.63 1.15 -1.47 4.92 -1.05 -0.11 -4.09 118.70 119.68 1a4g s GLU 274 Ca -0.00 -1.24 -0.03 0.00 -0.15 0.00 0.00 54.97 53.55 1a4g s GLU 274 Cb -0.13 0.36 0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1a4g s GLU 274 CO -0.04 -0.41 0.43 0.39 0.95 0.00 0.00 175.26 176.59 1a4g n GLU 275 N -0.21 -3.03 -2.04 -4.83 1.02 -1.26 -0.93 120.64 109.36 1a4g n GLU 275 Ca -0.06 0.37 -0.41 0.00 -0.02 0.00 0.00 57.16 57.03 1a4g n GLU 275 Cb 0.63 -4.52 -0.02 0.00 -0.02 0.00 0.00 31.44 27.50 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 -0.26 4.45 0.24 0.00 2.01 -0.37 -4.70 115.64 117.01 1a4g s THR 277 Ca 0.57 -0.32 0.11 0.00 0.31 0.00 0.00 61.69 62.36 1a4g s THR 277 Cb -0.41 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1a4g s THR 277 CO 0.46 0.19 -0.19 0.00 -0.69 0.00 0.00 174.62 174.39 1a4g s GLY 279 N -3.22 -0.29 -0.09 0.00 0.00 -0.57 -4.93 107.32 98.23 1a4g s GLY 279 Ca 0.27 0.32 -0.23 0.00 0.00 0.00 0.00 44.72 45.08 1a4g s GLY 279 CO 0.14 0.06 0.69 -1.36 0.00 0.00 0.00 173.10 172.63 1a4g s PHE 280 N -3.09 3.54 0.03 1.90 0.08 -1.26 -0.85 117.98 118.34 1a4g s PHE 280 Ca 0.12 1.20 0.10 0.00 0.12 0.00 0.00 56.93 58.47 1a4g s PHE 280 Cb -0.00 -2.80 -0.20 0.00 -0.57 0.00 0.00 43.02 39.44 1a4g s PHE 280 CO 0.00 0.05 1.00 0.00 -0.10 0.00 0.00 175.22 176.16 1a4g h ALA 281 N 6.86 0.56 -2.46 5.36 0.00 -1.01 -3.44 119.26 125.14 1a4g h ALA 281 Ca -0.39 -1.14 0.07 0.00 0.00 0.00 0.00 54.91 53.45 1a4g h ALA 281 Cb 1.19 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1a4g h ALA 281 CO 0.76 1.36 0.36 -1.13 0.00 0.00 0.00 179.25 180.60 1a4g n SER 282 N -3.19 -1.44 0.11 0.00 3.41 -1.12 -4.88 113.62 106.50 1a4g n SER 282 Ca -0.08 -1.86 0.09 0.00 -0.26 0.00 0.00 58.87 56.77 1a4g n SER 282 Cb 0.98 2.37 0.44 0.00 -0.26 0.00 0.00 64.21 67.74 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 -1.21 0.46 -0.01 4.04 3.02 -1.26 -3.23 115.26 117.07 1a4g n ASN 283 Ca -0.03 0.66 0.07 0.00 -0.03 0.00 0.00 54.58 55.24 1a4g n ASN 283 Cb 0.44 -0.74 -0.12 0.00 -0.61 0.00 0.00 39.78 38.74 1a4g n ASN 283 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1a4g n LYS 284 N -2.06 0.58 -4.24 3.52 4.81 -1.26 -4.84 118.16 114.67 1a4g n LYS 284 Ca 0.01 -0.13 -0.19 0.00 -0.87 0.00 0.00 58.31 57.13 1a4g n LYS 284 Cb 0.12 -1.38 -0.15 0.00 0.02 0.00 0.00 35.03 33.63 1a4g n LYS 284 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1a4g s THR 285 N -3.04 0.57 -0.09 3.15 2.01 -1.20 -1.09 115.64 115.95 1a4g s THR 285 Ca -0.06 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 1a4g s THR 285 Cb 0.10 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1a4g s THR 285 CO 0.66 0.20 0.01 -0.63 -0.69 0.00 0.00 174.62 174.17 1a4g s ILE 286 N 0.34 4.37 0.11 1.82 1.01 0.09 -0.32 121.20 128.62 1a4g s ILE 286 Ca -0.04 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.45 1a4g s ILE 286 Cb -0.09 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1a4g s ILE 286 CO 0.00 0.60 -0.18 -1.61 0.00 0.00 0.00 174.94 173.75 1a4g s GLU 287 N -0.90 1.08 -0.00 2.79 2.02 -0.03 -0.47 118.70 123.20 1a4g s GLU 287 Ca 0.13 -1.18 0.01 0.00 0.02 0.00 0.00 54.97 53.95 1a4g s GLU 287 Cb -0.11 -1.20 -0.00 0.00 0.10 0.00 0.00 34.13 32.91 1a4g s GLU 287 CO 0.02 0.26 -0.03 0.00 0.02 0.00 0.00 175.26 175.54 1a4g s ALA 289 N -0.14 2.99 0.45 0.00 0.00 -0.38 -0.96 121.76 123.71 1a4g s ALA 289 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1a4g s ALA 289 Cb -0.02 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 1a4g s ALA 289 CO -0.00 -0.11 0.06 0.00 0.00 0.00 0.00 175.76 175.72 1a4g s ARG 291 N -3.79 3.09 -0.29 0.00 3.52 -0.11 -3.50 118.95 117.87 1a4g s ARG 291 Ca 0.17 -0.47 0.01 0.00 -0.13 0.00 0.00 55.73 55.31 1a4g s ARG 291 Cb 0.03 -2.77 0.06 0.00 -1.56 0.00 0.00 34.95 30.71 1a4g s ARG 291 CO 0.10 0.58 -0.04 0.34 -0.81 0.00 0.00 175.30 175.46 1a4g s ASP 292 N -0.55 4.66 0.13 -2.12 -1.08 -1.26 -0.93 116.67 115.51 1a4g s ASP 292 Ca 0.09 -1.46 0.26 0.00 -0.52 0.00 0.00 52.55 50.92 1a4g s ASP 292 Cb -0.12 -1.62 0.97 0.00 -1.46 0.00 0.00 42.92 40.68 1a4g s ASP 292 CO 0.02 -0.25 1.81 -3.20 0.52 0.00 0.00 175.17 174.07 1a4g n ASN 293 N 4.48 0.47 -0.05 -0.34 5.15 -1.26 -4.39 115.26 119.32 1a4g n ASN 293 Ca -0.11 0.55 -0.08 0.00 -0.60 0.00 0.00 54.58 54.34 1a4g n ASN 293 Cb 0.42 -0.67 -0.04 0.00 -0.53 0.00 0.00 39.78 38.96 1a4g n ASN 293 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1a4g n SER 294 N -1.95 2.42 -0.05 1.20 3.41 -1.25 -0.05 113.62 117.35 1a4g n SER 294 Ca 0.06 0.01 -0.04 0.00 -0.26 0.00 0.00 58.87 58.64 1a4g n SER 294 Cb 0.37 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 64.01 1a4g n SER 294 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1a4g n TYR 295 N -3.00 0.00 -4.05 7.33 4.01 -1.25 -2.65 117.16 117.56 1a4g n TYR 295 Ca -0.18 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.46 1a4g n TYR 295 Cb 0.67 -0.61 -0.08 0.00 -0.31 0.00 0.00 39.34 39.01 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 -2.50 0.05 -1.92 -0.72 -1.32 -1.23 -4.30 115.64 103.70 1a4g s THR 296 Ca -0.07 -1.61 0.16 0.00 -1.21 0.00 0.00 61.69 58.97 1a4g s THR 296 Cb 0.05 -2.06 0.11 0.00 -1.51 0.00 0.00 72.50 69.09 1a4g s THR 296 CO 0.58 -0.23 0.98 0.00 -2.21 0.00 0.00 174.62 173.75 1a4g n ALA 297 N -0.23 2.57 -1.96 11.08 0.00 -1.26 -4.63 120.51 126.08 1a4g n ALA 297 Ca -0.04 -0.61 -0.37 0.00 0.00 0.00 0.00 53.44 52.42 1a4g n ALA 297 Cb 0.63 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.41 4.40 0.04 0.00 1.02 -1.26 -2.63 119.74 119.90 1a4g s LYS 298 Ca 0.18 1.07 -0.27 0.00 0.02 0.00 0.00 55.97 56.97 1a4g s LYS 298 Cb 0.13 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 1a4g s LYS 298 CO 0.23 0.36 0.84 1.03 -0.92 0.00 0.00 175.35 176.88 1a4g s ARG 299 N -1.96 4.55 0.19 1.68 0.52 -1.26 -4.70 118.95 117.97 1a4g s ARG 299 Ca 0.45 1.19 -0.33 0.00 -0.52 0.00 0.00 55.73 56.53 1a4g s ARG 299 Cb -0.18 -3.39 -0.14 0.00 0.52 0.00 0.00 34.95 31.76 1a4g s ARG 299 CO 0.22 0.20 1.50 -2.30 0.02 0.00 0.00 175.30 174.94 1a4g n PRO 300 N 3.06 2.05 -4.02 3.54 -0.02 -1.23 -0.89 135.00 137.49 1a4g n PRO 300 Ca 0.00 0.73 -0.30 0.00 -2.02 0.00 0.00 63.50 61.91 1a4g n PRO 300 Cb 0.50 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.50 2.25 -0.14 6.00 5.36 -0.00 -0.50 117.98 131.46 1a4g s PHE 301 Ca 0.75 -1.33 -0.09 0.00 -0.96 0.00 0.00 56.93 55.29 1a4g s PHE 301 Cb -0.68 -1.62 -0.05 0.00 -0.34 0.00 0.00 43.02 40.33 1a4g s PHE 301 CO 0.43 -0.69 0.18 0.08 -1.46 0.00 0.00 175.22 173.76 1a4g s VAL 302 N 1.46 5.41 -0.18 3.12 1.01 -0.14 -2.39 120.40 128.69 1a4g s VAL 302 Ca 0.03 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1a4g s VAL 302 Cb -0.14 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1a4g s VAL 302 CO -0.10 0.54 -0.20 -0.54 0.00 0.00 0.00 175.10 174.80 1a4g s LYS 303 N -0.46 3.00 -0.15 2.72 1.02 -0.87 -1.12 119.74 123.88 1a4g s LYS 303 Ca 0.14 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.31 1a4g s LYS 303 Cb -0.12 -2.57 0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1a4g s LYS 303 CO 0.03 -0.20 -0.13 -1.17 -0.92 0.00 0.00 175.35 172.96 1a4g s LEU 304 N 1.27 1.73 -0.30 3.17 0.20 0.39 -1.74 118.68 123.39 1a4g s LEU 304 Ca 0.05 -0.53 -0.23 0.00 0.69 0.00 0.00 54.13 54.11 1a4g s LEU 304 Cb -0.13 -1.17 -0.00 0.00 -0.43 0.00 0.00 46.19 44.46 1a4g s LEU 304 CO -0.12 -0.07 0.77 0.21 -0.29 0.00 0.00 176.35 176.85 1a4g s ASN 305 N 1.49 6.65 0.44 3.68 3.84 -0.27 -0.73 114.94 130.04 1a4g s ASN 305 Ca 0.04 0.65 0.23 0.00 0.21 0.00 0.00 52.86 54.00 1a4g s ASN 305 Cb -0.13 -2.40 0.95 0.00 -0.55 0.00 0.00 41.25 39.12 1a4g s ASN 305 CO -0.10 -0.59 1.84 0.58 -2.79 0.00 0.00 177.10 176.04 1a4g h VAL 306 N 5.58 0.64 0.17 -5.21 2.07 -1.40 -1.50 116.25 116.60 1a4g h VAL 306 Ca -0.25 -1.12 -0.33 0.00 0.82 0.00 0.00 66.70 65.83 1a4g h VAL 306 Cb 1.10 1.73 0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1a4g h VAL 306 CO 0.87 0.24 -1.58 -0.33 0.02 0.00 0.00 177.57 176.80 1a4g h GLU 307 N 0.00 0.36 0.00 1.57 5.08 -1.90 -3.34 114.58 116.35 1a4g h GLU 307 Ca -0.00 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1a4g h GLU 307 Cb 0.71 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1a4g h GLU 307 CO 0.03 1.25 -1.16 0.25 -1.00 0.00 0.00 179.01 178.38 1a4g n THR 308 N -3.56 0.45 -3.34 1.13 -2.24 -1.24 -5.00 114.28 100.49 1a4g n THR 308 Ca -0.19 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 60.93 1a4g n THR 308 Cb 1.07 -0.21 0.07 0.00 -2.10 0.00 0.00 70.33 69.15 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 -2.50 -5.35 -4.12 3.42 8.00 -0.57 -5.04 116.55 110.38 1a4g n ASP 309 Ca -0.00 -0.72 -0.16 0.00 0.71 0.00 0.00 54.79 54.62 1a4g n ASP 309 Cb 0.54 -5.02 -0.12 0.00 -0.02 0.00 0.00 41.12 36.50 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 -3.40 0.86 0.01 -3.53 -4.23 -1.16 -4.82 115.64 99.36 1a4g s THR 310 Ca 0.34 -1.13 -0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1a4g s THR 310 Cb -0.05 -0.85 -0.01 0.00 1.34 0.00 0.00 72.50 72.93 1a4g s THR 310 CO 0.75 -0.24 0.02 0.00 -0.54 0.00 0.00 174.62 174.61 1a4g s ALA 311 N -1.21 -0.01 0.02 3.99 0.00 -1.26 -1.11 121.76 122.18 1a4g s ALA 311 Ca -0.04 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.63 1a4g s ALA 311 Cb -0.09 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1a4g s ALA 311 CO 0.01 -0.13 -0.10 -2.00 0.00 0.00 0.00 175.76 173.55 1a4g s GLU 312 N -1.02 0.69 -0.05 0.00 2.12 -0.71 -1.46 118.70 118.26 1a4g s GLU 312 Ca -0.11 -0.58 0.04 0.00 0.36 0.00 0.00 54.97 54.67 1a4g s GLU 312 Cb -0.07 -0.62 0.00 0.00 0.26 0.00 0.00 34.13 33.71 1a4g s GLU 312 CO -0.00 0.15 -0.16 0.42 -0.54 0.00 0.00 175.26 175.13 1a4g s ILE 313 N -0.76 1.33 0.03 -3.70 1.01 -0.07 -2.05 121.20 116.99 1a4g s ILE 313 Ca -0.01 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1a4g s ILE 313 Cb -0.07 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 1a4g s ILE 313 CO 0.00 0.39 0.11 -0.13 0.00 0.00 0.00 174.94 175.32 1a4g s ARG 314 N 0.21 0.58 0.59 2.79 1.81 -1.00 -0.21 118.95 123.71 1a4g s ARG 314 Ca -0.07 -0.68 -0.20 0.00 -1.72 0.00 0.00 55.73 53.06 1a4g s ARG 314 Cb -0.13 0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.57 1a4g s ARG 314 CO 0.03 -0.14 1.27 -0.51 -0.68 0.00 0.00 175.30 175.26 1a4g s LEU 315 N -1.99 3.72 0.17 2.53 1.43 -1.26 -0.82 118.68 122.45 1a4g s LEU 315 Ca -0.07 2.55 -0.31 0.00 -1.03 0.00 0.00 54.13 55.28 1a4g s LEU 315 Cb -0.02 -4.49 -0.09 0.00 0.03 0.00 0.00 46.19 41.62 1a4g s LEU 315 CO -0.03 -1.65 1.36 -0.04 0.23 0.00 0.00 176.35 176.21 1a4g s MET 316 N -3.18 4.35 0.04 1.70 -1.94 -0.07 -4.46 119.30 115.74 1a4g s MET 316 Ca 0.76 2.09 0.24 0.00 -1.71 0.00 0.00 55.69 57.07 1a4g s MET 316 Cb -0.35 -3.21 0.26 0.00 2.01 0.00 0.00 34.83 33.55 1a4g s MET 316 CO 0.39 -0.35 1.23 0.00 -0.01 0.00 0.00 175.02 176.28 1a4g n THR 318 N -1.75 1.64 0.29 0.00 5.66 -0.88 -3.95 114.28 115.29 1a4g n THR 318 Ca 0.04 -0.41 0.17 0.00 -3.05 0.00 0.00 64.05 60.80 1a4g n THR 318 Cb 0.38 -1.52 0.82 0.00 -1.55 0.00 0.00 70.33 68.47 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 3.10 0.00 -4.76 1.09 4.11 -1.18 -3.35 114.58 113.59 1a4g h GLU 319 Ca -0.45 0.00 -0.72 0.00 0.07 0.00 0.00 59.36 58.26 1a4g h GLU 319 Cb 1.28 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 1a4g h GLU 319 CO 0.67 0.00 2.08 2.41 0.07 0.00 0.00 179.01 184.24 1a4g n THR 320 N -2.73 4.03 -1.86 -1.06 -1.04 -1.26 -2.27 114.28 108.09 1a4g n THR 320 Ca -0.01 -4.16 -0.42 0.00 -2.04 0.00 0.00 64.05 57.42 1a4g n THR 320 Cb 0.14 -2.43 -0.03 0.00 -1.82 0.00 0.00 70.33 66.18 1a4g n THR 320 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1a4g s TYR 321 N 2.52 2.50 -2.61 -1.42 2.02 -1.26 -4.91 117.35 114.19 1a4g s TYR 321 Ca 0.47 0.29 0.26 0.00 -0.37 0.00 0.00 57.07 57.72 1a4g s TYR 321 Cb 0.05 -4.03 0.71 0.00 -0.40 0.00 0.00 41.96 38.29 1a4g s TYR 321 CO 0.01 -4.08 1.55 1.28 -1.57 0.00 0.00 175.55 172.74 1a4g n LEU 322 N 5.21 2.00 -4.94 -1.29 4.77 -1.23 -4.94 117.00 116.58 1a4g n LEU 322 Ca 0.16 -0.66 -0.25 0.00 -0.03 0.00 0.00 56.01 55.23 1a4g n LEU 322 Cb 0.39 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1a4g n LEU 322 CO 0.63 0.34 0.46 -0.62 -1.33 0.00 0.00 177.39 176.87 1a4g s ASP 323 N -2.04 5.43 -0.07 -1.43 2.15 -1.08 -4.68 116.67 114.95 1a4g s ASP 323 Ca 0.33 0.43 0.01 0.00 0.43 0.00 0.00 52.55 53.75 1a4g s ASP 323 Cb 0.20 -1.39 0.02 0.00 -0.30 0.00 0.00 42.92 41.46 1a4g s ASP 323 CO 0.34 -1.10 -0.07 -0.89 -0.17 0.00 0.00 175.17 173.28 1a4g s THR 324 N -2.90 0.80 0.97 1.71 2.01 -1.26 -4.08 115.64 112.89 1a4g s THR 324 Ca 0.54 -0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 1a4g s THR 324 Cb -0.10 -0.81 0.17 0.00 0.01 0.00 0.00 72.50 71.77 1a4g s THR 324 CO 0.42 0.30 1.09 -2.16 -0.69 0.00 0.00 174.62 173.58 1a4g s PRO 325 N 1.19 0.69 0.00 4.92 0.04 -1.26 -2.63 135.00 137.95 1a4g s PRO 325 Ca -0.06 0.74 -0.23 0.00 0.04 0.00 0.00 61.00 61.48 1a4g s PRO 325 Cb -0.14 -1.75 0.05 0.00 0.04 0.00 0.00 34.50 32.70 1a4g s PRO 325 CO -0.02 -2.61 0.52 -0.98 0.04 0.00 0.00 177.00 173.95 1a4g s ARG 326 N -4.88 0.95 1.07 4.56 1.70 -0.55 -4.70 118.95 117.10 1a4g s ARG 326 Ca 0.65 -0.07 -0.17 0.00 -0.47 0.00 0.00 55.73 55.67 1a4g s ARG 326 Cb -0.19 0.44 0.23 0.00 -0.57 0.00 0.00 34.95 34.86 1a4g s ARG 326 CO 0.58 -0.31 1.22 -1.25 -1.08 0.00 0.00 175.30 174.45 1a4g s PRO 327 N -1.78 -0.16 0.56 3.89 0.04 -1.26 -4.77 135.00 131.52 1a4g s PRO 327 Ca -0.09 -0.21 -0.21 0.00 0.04 0.00 0.00 61.00 60.53 1a4g s PRO 327 Cb -0.01 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1a4g s PRO 327 CO 0.03 -2.98 1.32 -0.51 0.04 0.00 0.00 177.00 174.90 1a4g s ASP 328 N -4.39 5.20 0.24 6.66 1.01 -1.26 -4.89 116.67 119.24 1a4g s ASP 328 Ca 0.72 2.67 -0.31 0.00 0.71 0.00 0.00 52.55 56.34 1a4g s ASP 328 Cb -0.07 -2.63 -0.13 0.00 1.01 0.00 0.00 42.92 41.10 1a4g s ASP 328 CO 0.54 -1.61 1.43 0.47 0.21 0.00 0.00 175.17 176.21 1a4g n ASP 329 N -1.21 2.85 0.00 0.27 9.92 -1.26 -1.66 116.55 125.47 1a4g n ASP 329 Ca 0.11 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.52 1a4g n ASP 329 Cb 0.46 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 1a4g n ASP 329 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a4g n GLY 330 N 2.17 0.53 0.01 0.44 0.00 -0.96 -4.90 105.19 102.48 1a4g n GLY 330 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.13 0.09 -4.53 1.61 3.41 -0.66 -4.69 113.62 108.71 1a4g n SER 331 Ca 0.00 0.28 -0.43 0.00 -0.26 0.00 0.00 58.87 58.47 1a4g n SER 331 Cb 0.07 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.61 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 -2.93 4.53 0.59 -1.33 1.01 -1.26 -5.00 121.20 116.81 1a4g s ILE 332 Ca 0.16 0.40 -0.07 0.00 0.00 0.00 0.00 60.65 61.13 1a4g s ILE 332 Cb 0.19 -4.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 1a4g s ILE 332 CO 0.54 -0.89 0.93 0.42 0.00 0.00 0.00 174.94 175.94 1a4g s THR 333 N 3.59 4.05 0.00 2.92 -4.23 -1.26 -4.97 115.64 115.74 1a4g s THR 333 Ca 0.31 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1a4g s THR 333 Cb -0.12 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1a4g s THR 333 CO 0.22 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1a4g n GLY 334 N -2.61 -3.42 3.48 3.99 0.00 -1.26 -4.82 105.19 100.54 1a4g n GLY 334 Ca 0.04 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.69 -1.11 0.36 1.61 0.04 -1.26 -4.84 135.00 129.11 1a4g s PRO 335 Ca 0.00 0.69 0.16 0.00 0.04 0.00 0.00 61.00 61.89 1a4g s PRO 335 Cb 0.00 -1.54 1.05 0.00 0.04 0.00 0.00 34.50 34.05 1a4g s PRO 335 CO 0.00 -3.81 1.73 0.00 0.04 0.00 0.00 177.00 174.95 1a4g n GLU 337 N -4.79 0.02 -1.88 0.00 0.28 -1.26 -4.73 120.64 108.28 1a4g n GLU 337 Ca 0.28 0.21 -0.42 0.00 -0.16 0.00 0.00 57.16 57.07 1a4g n GLU 337 Cb 0.89 -1.54 -0.02 0.00 1.43 0.00 0.00 31.44 32.20 1a4g n GLU 337 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1a4g s SER 338 N -3.15 6.51 0.08 -1.84 0.01 -0.62 -4.94 113.70 109.75 1a4g s SER 338 Ca 0.08 2.76 -0.17 0.00 1.31 0.00 0.00 55.95 59.93 1a4g s SER 338 Cb 0.12 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.64 1a4g s SER 338 CO 0.34 -0.85 1.44 0.78 0.41 0.00 0.00 173.24 175.36 1a4g h ASN 339 N 5.88 0.58 -2.92 2.44 -0.26 -1.89 -3.49 115.58 115.92 1a4g h ASN 339 Ca -0.45 -0.42 0.00 0.00 -0.56 0.00 0.00 56.30 54.87 1a4g h ASN 339 Cb 1.21 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 38.31 1a4g h ASN 339 CO 0.86 0.87 0.00 0.61 -1.06 0.00 0.00 177.43 178.71 1a4g n GLY 340 N 0.01 -1.76 3.96 2.83 0.00 -1.26 -4.30 105.19 104.67 1a4g n GLY 340 Ca -0.04 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 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 5.92 -1.34 1.61 2.15 -1.26 -4.59 116.67 115.16 1a4g s ASP 341 Ca 0.00 0.18 -0.06 0.00 0.43 0.00 0.00 52.55 53.10 1a4g s ASP 341 Cb 0.00 -1.52 0.02 0.00 -0.30 0.00 0.00 42.92 41.12 1a4g s ASP 341 CO 0.00 -0.58 1.02 0.29 -0.17 0.00 0.00 175.17 175.73 1a4g n LYS 342 N -1.93 -6.69 0.05 4.34 5.02 -1.26 -4.35 118.16 113.33 1a4g n LYS 342 Ca 0.00 0.76 -0.09 0.00 -2.02 0.00 0.00 58.31 56.96 1a4g n LYS 342 Cb 0.58 -5.70 -0.13 0.00 -0.02 0.00 0.00 35.03 29.76 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 0.07 -3.90 0.72 0.00 -1.81 -3.39 103.07 92.51 1a4g h GLY 343 Ca -0.58 -0.17 -0.52 0.00 0.00 0.00 0.00 47.33 46.05 1a4g h GLY 343 CO 0.57 0.15 0.64 -1.60 0.00 0.00 0.00 176.54 176.29 1a4g s ARG 344 N -2.67 4.36 0.00 4.80 6.06 -1.08 -3.53 118.95 126.89 1a4g s ARG 344 Ca -0.02 2.20 0.00 0.00 -2.50 0.00 0.00 55.73 55.41 1a4g s ARG 344 Cb 0.09 -3.08 0.00 0.00 0.06 0.00 0.00 34.95 32.02 1a4g s ARG 344 CO 0.83 -0.18 0.00 0.41 -2.50 0.00 0.00 175.30 173.86 1a4g n GLY 345 N 0.89 -0.37 0.00 8.12 0.00 0.93 -4.60 105.19 110.16 1a4g n GLY 345 Ca 0.00 -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 -0.41 -1.58 3.48 -0.02 0.00 -1.08 -4.23 105.19 101.36 1a4g n GLY 346 Ca 0.00 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.30 0.01 0.21 -0.61 2.07 -1.22 -4.75 121.20 114.60 1a4g s ILE 347 Ca 0.00 -0.07 -0.30 0.00 -1.41 0.00 0.00 60.65 58.87 1a4g s ILE 347 Cb 0.00 -0.90 -0.08 0.00 0.13 0.00 0.00 42.46 41.61 1a4g s ILE 347 CO 0.00 -0.04 1.21 -0.75 -1.91 0.00 0.00 174.94 173.45 1a4g s LYS 348 N -0.66 4.48 0.08 3.50 2.20 -1.26 -4.71 119.74 123.38 1a4g s LYS 348 Ca -0.07 1.92 0.10 0.00 -0.36 0.00 0.00 55.97 57.56 1a4g s LYS 348 Cb -0.02 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 1a4g s LYS 348 CO 0.06 -0.08 -0.27 0.20 -0.36 0.00 0.00 175.35 174.90 1a4g s GLY 349 N -0.01 1.47 0.46 5.54 0.00 -1.25 -2.47 107.32 111.06 1a4g s GLY 349 Ca 0.52 -1.35 -0.23 0.00 0.00 0.00 0.00 44.72 43.66 1a4g s GLY 349 CO 0.39 -1.28 1.16 -0.32 0.00 0.00 0.00 173.10 173.04 1a4g s GLY 350 N -1.59 2.77 -0.28 0.20 0.00 -0.90 -4.51 107.32 103.01 1a4g s GLY 350 Ca 0.13 0.91 -0.20 0.00 0.00 0.00 0.00 44.72 45.56 1a4g s GLY 350 CO 0.04 1.37 0.89 -0.12 0.00 0.00 0.00 173.10 175.27 1a4g s PHE 351 N -1.56 -0.70 0.03 1.90 5.36 -1.25 -2.55 117.98 119.21 1a4g s PHE 351 Ca 0.63 1.50 -0.23 0.00 -0.96 0.00 0.00 56.93 57.87 1a4g s PHE 351 Cb -0.28 0.41 0.05 0.00 -0.34 0.00 0.00 43.02 42.87 1a4g s PHE 351 CO 0.34 -0.34 0.53 0.54 -1.46 0.00 0.00 175.22 174.83 1a4g s VAL 352 N 1.00 0.03 0.01 3.12 0.11 -0.63 -3.01 120.40 121.02 1a4g s VAL 352 Ca -0.05 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1a4g s VAL 352 Cb -0.05 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1a4g s VAL 352 CO -0.12 -0.12 0.06 -1.00 -3.33 0.00 0.00 175.10 170.59 1a4g s HIS 353 N -2.23 3.22 -0.35 1.54 0.09 -1.26 -1.36 115.29 114.94 1a4g s HIS 353 Ca -0.06 0.16 -0.00 0.00 -0.00 0.00 0.00 55.06 55.15 1a4g s HIS 353 Cb -0.01 -1.70 0.09 0.00 -0.00 0.00 0.00 32.58 30.96 1a4g s HIS 353 CO 0.00 0.53 0.09 -1.14 -0.00 0.00 0.00 174.74 174.21 1a4g s GLN 354 N -1.80 1.96 -0.35 1.40 0.74 -0.46 -4.66 119.66 116.50 1a4g s GLN 354 Ca 0.23 -1.68 -0.19 0.00 0.05 0.00 0.00 55.36 53.77 1a4g s GLN 354 Cb -0.12 -3.33 -0.00 0.00 1.10 0.00 0.00 33.01 30.66 1a4g s GLN 354 CO 0.14 -0.89 0.56 1.03 -0.55 0.00 0.00 175.29 175.58 1a4g s ARG 355 N 1.09 3.67 0.32 1.67 0.52 -1.26 -1.03 118.95 123.92 1a4g s ARG 355 Ca 0.05 -0.06 0.09 0.00 -0.52 0.00 0.00 55.73 55.29 1a4g s ARG 355 Cb -0.21 -3.80 -0.05 0.00 0.52 0.00 0.00 34.95 31.42 1a4g s ARG 355 CO -0.05 -0.66 0.05 -1.64 0.02 0.00 0.00 175.30 173.02 1a4g s MET 356 N 2.50 2.23 0.35 3.54 -1.94 -0.55 -0.52 119.30 124.91 1a4g s MET 356 Ca 0.21 -1.59 0.06 0.00 -1.71 0.00 0.00 55.69 52.66 1a4g s MET 356 Cb -0.15 -2.07 0.72 0.00 2.01 0.00 0.00 34.83 35.34 1a4g s MET 356 CO 0.14 0.19 1.92 0.00 -0.01 0.00 0.00 175.02 177.26 1a4g h ALA 357 N 1.75 1.71 0.00 3.03 0.00 -1.96 -3.23 119.26 120.55 1a4g h ALA 357 Ca -0.43 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1a4g h ALA 357 Cb 1.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1a4g h ALA 357 CO 0.64 0.13 -1.82 -1.13 0.00 0.00 0.00 179.25 177.07 1a4g n SER 358 N -4.51 1.33 -3.98 0.00 3.41 -1.26 -5.07 113.62 103.55 1a4g n SER 358 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.65 1a4g n SER 358 Cb 0.30 1.47 -0.06 0.00 -0.26 0.00 0.00 64.21 65.66 1a4g n SER 358 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1a4g s LYS 359 N -2.89 1.38 -0.06 4.33 -2.85 -1.22 -5.12 119.74 113.32 1a4g s LYS 359 Ca -0.06 -1.22 0.02 0.00 -1.00 0.00 0.00 55.97 53.70 1a4g s LYS 359 Cb 0.08 0.43 0.02 0.00 -2.06 0.00 0.00 37.83 36.30 1a4g s LYS 359 CO 0.65 -0.55 -0.10 -1.50 0.10 0.00 0.00 175.35 173.95 1a4g s ILE 360 N -4.00 0.98 -0.10 3.79 1.10 -1.26 -1.49 121.20 120.22 1a4g s ILE 360 Ca 0.21 -0.39 -0.04 0.00 -0.51 0.00 0.00 60.65 59.93 1a4g s ILE 360 Cb 0.01 -0.92 -0.04 0.00 0.15 0.00 0.00 42.46 41.67 1a4g s ILE 360 CO 0.05 0.32 0.05 -0.83 -2.11 0.00 0.00 174.94 172.42 1a4g s GLY 361 N 0.74 1.95 -0.20 1.50 0.00 -0.20 -0.87 107.32 110.24 1a4g s GLY 361 Ca -0.13 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1a4g s GLY 361 CO 0.03 -0.47 -0.18 0.50 0.00 0.00 0.00 173.10 172.98 1a4g s ARG 362 N -0.86 2.87 -0.12 2.90 0.52 0.22 -1.35 118.95 123.13 1a4g s ARG 362 Ca 0.13 -0.92 -0.05 0.00 -0.52 0.00 0.00 55.73 54.38 1a4g s ARG 362 Cb -0.12 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1a4g s ARG 362 CO 0.03 -0.28 0.05 -1.58 0.02 0.00 0.00 175.30 173.54 1a4g s TRP 363 N 1.26 3.28 0.12 -0.53 0.52 -0.46 -1.22 118.94 121.91 1a4g s TRP 363 Ca 0.02 0.22 -0.01 0.00 0.02 0.00 0.00 56.10 56.36 1a4g s TRP 363 Cb -0.14 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1a4g s TRP 363 CO -0.11 0.43 0.03 0.71 0.02 0.00 0.00 176.95 178.03 1a4g s TYR 364 N -0.54 0.83 0.04 -1.98 1.51 -0.23 -1.61 117.35 115.37 1a4g s TYR 364 Ca 0.10 -1.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.00 1a4g s TYR 364 Cb -0.12 -0.48 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1a4g s TYR 364 CO 0.02 -0.45 -0.05 -1.54 -1.11 0.00 0.00 175.55 172.41 1a4g s SER 365 N -3.03 0.57 0.11 2.29 1.04 -1.06 -1.17 113.70 112.45 1a4g s SER 365 Ca 0.20 -0.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 1a4g s SER 365 Cb 0.07 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1a4g s SER 365 CO -0.01 -0.29 0.25 0.00 0.98 0.00 0.00 173.24 174.18 1a4g s ARG 366 N -1.80 0.93 0.99 4.02 1.70 -0.84 -4.17 118.95 119.79 1a4g s ARG 366 Ca -0.10 -0.92 -0.12 0.00 -0.47 0.00 0.00 55.73 54.12 1a4g s ARG 366 Cb -0.08 0.38 0.18 0.00 -0.57 0.00 0.00 34.95 34.86 1a4g s ARG 366 CO -0.01 -0.32 1.08 0.95 -1.08 0.00 0.00 175.30 175.92 1a4g s THR 367 N -3.86 2.31 -0.01 4.99 -4.23 -1.26 -1.02 115.64 112.56 1a4g s THR 367 Ca 0.06 0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 1a4g s THR 367 Cb 0.04 -2.36 -0.26 0.00 1.34 0.00 0.00 72.50 71.25 1a4g s THR 367 CO -0.10 -0.13 0.78 -0.03 -0.54 0.00 0.00 174.62 174.60 1a4g h MET 368 N -1.97 0.20 -6.92 3.99 4.05 -1.16 -3.43 114.93 109.69 1a4g h MET 368 Ca -0.52 -0.34 -0.49 0.00 -0.28 0.00 0.00 59.70 58.07 1a4g h MET 368 Cb 1.30 0.13 0.02 0.00 -0.80 0.00 0.00 31.60 32.24 1a4g h MET 368 CO 0.51 1.02 0.43 0.45 0.23 0.00 0.00 176.91 179.55 1a4g s SER 369 N -6.83 6.89 0.39 1.39 0.15 -0.59 -4.94 113.70 110.17 1a4g s SER 369 Ca -0.10 2.11 0.21 0.00 0.70 0.00 0.00 55.95 58.87 1a4g s SER 369 Cb 0.07 -2.60 0.35 0.00 -1.71 0.00 0.00 66.02 62.13 1a4g s SER 369 CO 0.84 -0.40 1.59 0.11 1.20 0.00 0.00 173.24 176.58 1a4g h LYS 370 N 2.87 0.00 0.00 5.44 1.57 -1.90 -3.41 116.57 121.15 1a4g h LYS 370 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1a4g h LYS 370 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1a4g h LYS 370 CO 0.64 0.18 -0.98 0.25 -0.57 0.00 0.00 179.45 178.97 1a4g n THR 371 N -3.16 0.00 -4.41 -0.16 -2.24 -1.26 -1.48 114.28 101.56 1a4g n THR 371 Ca 0.03 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.57 1a4g n THR 371 Cb 0.58 -0.29 -0.09 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.97 1.93 -1.39 -0.78 2.02 -1.26 -4.54 118.70 112.72 1a4g s GLU 372 Ca 0.00 -1.71 -0.11 0.00 0.02 0.00 0.00 54.97 53.17 1a4g s GLU 372 Cb 0.00 -1.88 0.09 0.00 0.10 0.00 0.00 34.13 32.44 1a4g s GLU 372 CO 0.00 0.26 2.18 0.54 0.02 0.00 0.00 175.26 178.26 1a4g n ARG 373 N -0.79 3.48 -4.59 1.61 1.74 -1.26 -4.35 116.66 112.50 1a4g n ARG 373 Ca -0.05 -3.06 -0.23 0.00 -0.77 0.00 0.00 57.85 53.74 1a4g n ARG 373 Cb 0.61 -3.00 -0.16 0.00 -1.02 0.00 0.00 32.46 28.89 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 1.37 1.33 0.19 5.56 -1.94 -1.24 -1.08 119.30 123.49 1a4g s MET 374 Ca 0.47 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.01 1a4g s MET 374 Cb 0.13 -1.19 0.00 0.00 2.01 0.00 0.00 34.83 35.78 1a4g s MET 374 CO -0.05 0.17 0.00 0.41 -0.01 0.00 0.00 175.02 175.54 1a4g n GLY 375 N 3.23 -2.16 3.55 -0.03 0.00 -0.22 -1.38 105.19 108.18 1a4g n GLY 375 Ca -0.18 -1.34 -0.01 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.42 0.44 0.14 1.61 1.75 -0.34 -3.10 119.30 117.38 1a4g s MET 376 Ca 0.00 0.97 0.11 0.00 -1.25 0.00 0.00 55.69 55.52 1a4g s MET 376 Cb 0.00 0.44 -0.04 0.00 2.84 0.00 0.00 34.83 38.06 1a4g s MET 376 CO 0.00 -0.13 -0.26 -1.21 -0.65 0.00 0.00 175.02 172.77 1a4g s GLU 377 N 2.21 1.41 -0.01 4.11 2.02 -0.19 -0.54 118.70 127.72 1a4g s GLU 377 Ca -0.06 -1.37 -0.04 0.00 0.02 0.00 0.00 54.97 53.52 1a4g s GLU 377 Cb -0.07 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1a4g s GLU 377 CO -0.18 0.44 0.21 -0.51 0.02 0.00 0.00 175.26 175.25 1a4g s LEU 378 N -2.15 4.37 0.01 1.80 1.43 -0.24 -1.98 118.68 121.91 1a4g s LEU 378 Ca 0.15 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.64 1a4g s LEU 378 Cb -0.10 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 1a4g s LEU 378 CO 0.07 0.27 0.08 -0.31 0.23 0.00 0.00 176.35 176.68 1a4g s TYR 379 N -1.30 0.10 0.02 0.29 1.51 -0.31 -0.15 117.35 117.50 1a4g s TYR 379 Ca 0.27 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1a4g s TYR 379 Cb -0.13 -0.09 -0.02 0.00 -0.11 0.00 0.00 41.96 41.61 1a4g s TYR 379 CO 0.17 -0.23 -0.04 0.54 -1.11 0.00 0.00 175.55 174.88 1a4g s VAL 380 N -1.28 0.16 -0.07 0.71 0.11 -0.68 -1.07 120.40 118.28 1a4g s VAL 380 Ca -0.14 -0.90 -0.05 0.00 -2.93 0.00 0.00 61.98 57.96 1a4g s VAL 380 Cb -0.08 -0.30 0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1a4g s VAL 380 CO 0.01 -0.47 0.19 -0.60 -3.33 0.00 0.00 175.10 170.90 1a4g s ARG 381 N -1.43 0.19 -0.18 1.54 3.52 -0.35 -1.16 118.95 121.08 1a4g s ARG 381 Ca -0.15 0.33 -0.10 0.00 -0.13 0.00 0.00 55.73 55.68 1a4g s ARG 381 Cb -0.10 0.00 -0.05 0.00 -1.56 0.00 0.00 34.95 33.25 1a4g s ARG 381 CO -0.01 -0.08 0.16 0.71 -0.81 0.00 0.00 175.30 175.28 1a4g s TYR 382 N 0.53 3.45 0.00 5.12 2.02 -1.26 -0.61 117.35 126.61 1a4g s TYR 382 Ca -0.04 0.42 0.00 0.00 -0.37 0.00 0.00 57.07 57.08 1a4g s TYR 382 Cb -0.05 -2.16 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 1a4g s TYR 382 CO -0.03 0.36 0.00 -0.25 -1.57 0.00 0.00 175.55 174.06 1a4g n ASP 383 N 3.26 -3.19 0.00 2.29 8.00 -0.05 -5.00 116.55 121.85 1a4g n ASP 383 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1a4g n ASP 383 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 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 -1.86 2.92 0.44 0.00 -1.26 -4.78 105.19 100.65 1a4g n GLY 384 Ca 0.00 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 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 -4.00 3.29 0.59 1.61 -1.08 -1.26 -4.99 116.67 110.83 1a4g s ASP 385 Ca 0.00 -0.89 0.29 0.00 -0.52 0.00 0.00 52.55 51.43 1a4g s ASP 385 Cb 0.00 -1.04 1.48 0.00 -1.46 0.00 0.00 42.92 41.89 1a4g s ASP 385 CO 0.00 -0.20 1.89 -0.65 0.52 0.00 0.00 175.17 176.73 1a4g h PRO 386 N 8.04 0.00 0.00 4.34 0.11 -1.91 -0.78 132.00 141.81 1a4g h PRO 386 Ca -0.22 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.74 1a4g h PRO 386 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1a4g h PRO 386 CO 0.42 0.00 -0.72 -1.49 -0.21 0.00 0.00 178.00 176.00 1a4g h TRP 387 N 0.00 0.00 0.00 0.65 6.55 -1.93 -0.27 115.95 120.96 1a4g h TRP 387 Ca 0.20 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.04 1a4g h TRP 387 Cb 1.16 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.46 1a4g h TRP 387 CO 0.00 0.72 -0.96 0.25 -1.05 0.00 0.00 178.44 177.40 1a4g n THR 388 N -3.41 0.00 -3.09 1.49 -2.24 -0.37 -4.24 114.28 102.42 1a4g n THR 388 Ca 0.00 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1a4g n THR 388 Cb 0.78 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 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 -2.44 6.39 0.09 3.42 1.01 -0.76 -4.94 116.67 119.45 1a4g s ASP 389 Ca -0.01 -0.06 0.26 0.00 0.71 0.00 0.00 52.55 53.46 1a4g s ASP 389 Cb 0.05 -2.33 1.01 0.00 1.01 0.00 0.00 42.92 42.67 1a4g s ASP 389 CO 0.33 -0.70 1.82 -1.54 0.21 0.00 0.00 175.17 175.28 1a4g n SER 390 N 6.21 0.33 -4.63 0.27 3.41 -1.25 -2.06 113.62 115.90 1a4g n SER 390 Ca -0.01 0.54 -0.43 0.00 -0.26 0.00 0.00 58.87 58.71 1a4g n SER 390 Cb 0.48 -0.62 -0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.82 1.71 -4.77 4.04 8.00 -1.26 -0.93 116.55 121.52 1a4g n ASP 391 Ca 0.06 1.14 -0.41 0.00 0.71 0.00 0.00 54.79 56.30 1a4g n ASP 391 Cb 0.35 -1.37 -0.00 0.00 -0.02 0.00 0.00 41.12 40.08 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 -1.14 3.46 0.58 2.24 0.00 -1.26 -4.10 121.76 121.54 1a4g s ALA 392 Ca 0.59 1.47 -0.15 0.00 0.00 0.00 0.00 51.96 53.86 1a4g s ALA 392 Cb -0.62 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 18.88 1a4g s ALA 392 CO 0.60 -0.99 1.03 -0.51 0.00 0.00 0.00 175.76 175.89 1a4g s LEU 393 N -2.21 3.50 -0.28 0.00 1.02 -1.26 -4.98 118.68 114.46 1a4g s LEU 393 Ca 0.54 1.70 -0.26 0.00 0.02 0.00 0.00 54.13 56.13 1a4g s LEU 393 Cb -0.44 -4.52 0.01 0.00 0.02 0.00 0.00 46.19 41.26 1a4g s LEU 393 CO 0.59 -0.99 0.93 0.00 0.02 0.00 0.00 176.35 176.89 1a4g s ALA 394 N -2.59 3.57 0.09 4.21 0.00 -0.31 -4.84 121.76 121.90 1a4g s ALA 394 Ca 0.61 -0.15 -0.32 0.00 0.00 0.00 0.00 51.96 52.10 1a4g s ALA 394 Cb -0.14 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 1a4g s ALA 394 CO 0.37 -1.20 1.82 1.58 0.00 0.00 0.00 175.76 178.33 1a4g n HIS 395 N 6.38 2.52 -1.95 0.00 -0.00 -1.26 -1.69 115.22 119.21 1a4g n HIS 395 Ca 0.08 -0.08 0.02 0.00 0.46 0.00 0.00 57.72 58.20 1a4g n HIS 395 Cb 0.47 -2.70 0.13 0.00 -0.12 0.00 0.00 29.99 27.78 1a4g n HIS 395 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1a4g n SER 396 N 5.61 1.81 0.00 0.26 7.64 0.78 -4.95 113.62 124.78 1a4g n SER 396 Ca 0.19 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.80 1a4g n SER 396 Cb 0.35 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.60 3.23 3.51 0.23 0.00 -1.25 -4.46 105.19 105.85 1a4g n GLY 397 Ca 0.17 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.22 5.17 -0.05 1.61 1.01 -1.26 -1.08 120.40 123.58 1a4g s VAL 398 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 1a4g s VAL 398 Cb 0.00 -3.90 -0.28 0.00 0.00 0.00 0.00 36.38 32.20 1a4g s VAL 398 CO 0.00 -0.23 0.65 0.24 0.00 0.00 0.00 175.10 175.76 1a4g h MET 399 N 8.59 0.26 -3.99 2.72 2.86 -1.13 -3.38 114.93 120.87 1a4g h MET 399 Ca -0.28 -0.45 -0.43 0.00 -2.06 0.00 0.00 59.70 56.48 1a4g h MET 399 Cb 1.13 0.17 -0.35 0.00 0.06 0.00 0.00 31.60 32.61 1a4g h MET 399 CO 0.73 1.12 -0.78 0.08 1.06 0.00 0.00 176.91 179.12 1a4g s VAL 400 N -2.59 0.57 0.99 -2.22 1.01 -0.68 -0.30 120.40 117.18 1a4g s VAL 400 Ca -0.14 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 1a4g s VAL 400 Cb 0.07 -0.62 0.18 0.00 0.00 0.00 0.00 36.38 36.01 1a4g s VAL 400 CO 0.83 0.25 1.11 -0.94 0.00 0.00 0.00 175.10 176.35 1a4g s SER 401 N 1.23 2.76 0.36 3.32 1.04 -1.26 -1.20 113.70 119.95 1a4g s SER 401 Ca -0.06 1.05 0.27 0.00 0.48 0.00 0.00 55.95 57.69 1a4g s SER 401 Cb -0.14 -1.65 1.21 0.00 0.10 0.00 0.00 66.02 65.54 1a4g s SER 401 CO -0.02 -3.03 1.81 -0.03 0.98 0.00 0.00 173.24 172.95 1a4g h MET 402 N -1.83 0.00 0.00 4.02 4.05 -1.93 -1.90 114.93 117.34 1a4g h MET 402 Ca -0.53 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1a4g h MET 402 Cb 1.33 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 1a4g h MET 402 CO 0.58 0.00 0.00 0.87 0.23 0.00 0.00 176.91 178.59 1a4g h LYS 403 N 0.00 0.00 -6.38 0.39 1.57 -1.95 -3.39 116.57 106.82 1a4g h LYS 403 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1a4g h LYS 403 Cb 0.30 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.49 1a4g h LYS 403 CO 0.00 0.00 -0.67 -1.21 -0.57 0.00 0.00 179.45 177.00 1a4g s GLU 404 N -3.23 2.45 0.19 3.15 0.41 -0.72 -5.00 118.70 115.96 1a4g s GLU 404 Ca 0.07 -0.93 -0.31 0.00 -0.41 0.00 0.00 54.97 53.39 1a4g s GLU 404 Cb 0.10 -2.46 -0.11 0.00 -1.78 0.00 0.00 34.13 29.89 1a4g s GLU 404 CO 0.52 0.51 1.61 -1.25 -0.49 0.00 0.00 175.26 176.17 1a4g s PRO 405 N -2.47 4.18 -0.28 0.39 0.04 -1.26 -1.05 135.00 134.55 1a4g s PRO 405 Ca 0.26 2.45 -0.01 0.00 0.04 0.00 0.00 61.00 63.73 1a4g s PRO 405 Cb -0.11 -3.12 0.09 0.00 0.04 0.00 0.00 34.50 31.40 1a4g s PRO 405 CO 0.18 -0.64 0.08 0.20 0.04 0.00 0.00 177.00 176.86 1a4g s GLY 406 N 1.06 0.96 0.00 0.56 0.00 -0.24 -4.50 107.32 105.16 1a4g s GLY 406 Ca 0.70 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1a4g s GLY 406 CO 0.33 1.58 0.00 0.79 0.00 0.00 0.00 173.10 175.80 1a4g n TRP 407 N 4.91 0.00 -2.16 1.90 7.02 0.07 -3.69 117.44 125.49 1a4g n TRP 407 Ca -0.04 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.09 1a4g n TRP 407 Cb 0.43 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.34 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 3.11 2.57 0.05 -5.99 1.51 -1.25 -4.72 117.35 112.63 1a4g s TYR 408 Ca 0.00 1.53 0.01 0.00 -1.01 0.00 0.00 57.07 57.60 1a4g s TYR 408 Cb 0.00 -3.35 -0.03 0.00 -0.11 0.00 0.00 41.96 38.47 1a4g s TYR 408 CO 0.00 -1.79 -0.05 -1.54 -1.11 0.00 0.00 175.55 171.06 1a4g s SER 409 N -1.74 0.69 0.04 2.29 1.04 -1.03 -0.27 113.70 114.72 1a4g s SER 409 Ca 0.74 -0.78 -0.13 0.00 0.48 0.00 0.00 55.95 56.26 1a4g s SER 409 Cb -0.26 0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.99 1a4g s SER 409 CO 0.29 -0.40 0.29 0.72 0.98 0.00 0.00 173.24 175.12 1a4g s PHE 410 N -2.67 -0.09 0.18 5.02 -0.12 -0.53 -2.13 117.98 117.64 1a4g s PHE 410 Ca -0.01 -0.05 0.03 0.00 -0.05 0.00 0.00 56.93 56.85 1a4g s PHE 410 Cb -0.01 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 1a4g s PHE 410 CO -0.04 -0.49 0.32 0.20 -0.05 0.00 0.00 175.22 175.16 1a4g s GLY 411 N -2.04 1.56 0.30 1.99 0.00 -1.16 -0.87 107.32 107.09 1a4g s GLY 411 Ca -0.05 -1.07 -0.20 0.00 0.00 0.00 0.00 44.72 43.40 1a4g s GLY 411 CO -0.03 -1.08 0.72 -0.11 0.00 0.00 0.00 173.10 172.60 1a4g s PHE 412 N -1.83 -0.10 -0.02 1.90 -0.71 -0.47 -4.74 117.98 112.01 1a4g s PHE 412 Ca 0.35 -0.39 0.01 0.00 -1.04 0.00 0.00 56.93 55.86 1a4g s PHE 412 Cb -0.10 0.70 0.01 0.00 -1.21 0.00 0.00 43.02 42.41 1a4g s PHE 412 CO 0.29 -1.28 -0.05 -1.21 -1.34 0.00 0.00 175.22 171.63 1a4g s GLU 413 N -3.65 0.54 -0.11 1.99 2.02 -1.26 -0.34 118.70 117.88 1a4g s GLU 413 Ca 0.13 -0.14 -0.06 0.00 0.02 0.00 0.00 54.97 54.91 1a4g s GLU 413 Cb -0.06 -0.55 -0.04 0.00 0.10 0.00 0.00 34.13 33.58 1a4g s GLU 413 CO 0.08 0.04 0.11 0.42 0.02 0.00 0.00 175.26 175.93 1a4g s ILE 414 N 0.28 5.27 -0.36 -1.63 1.01 -0.11 -4.31 121.20 121.36 1a4g s ILE 414 Ca -0.03 0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.55 1a4g s ILE 414 Cb -0.07 -3.29 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 1a4g s ILE 414 CO -0.00 0.61 0.49 -0.54 0.00 0.00 0.00 174.94 175.50 1a4g s LYS 415 N -1.02 3.57 0.56 2.79 -0.14 -1.26 -0.28 119.74 123.96 1a4g s LYS 415 Ca 0.15 -0.23 -0.05 0.00 -1.36 0.00 0.00 55.97 54.48 1a4g s LYS 415 Cb -0.12 -3.82 0.12 0.00 -1.68 0.00 0.00 37.83 32.33 1a4g s LYS 415 CO 0.04 -0.65 0.77 -3.47 -0.76 0.00 0.00 175.35 171.28 1a4g n ASP 416 N 5.71 0.58 -0.09 2.83 2.03 0.22 -4.91 116.55 122.91 1a4g n ASP 416 Ca -0.05 -1.59 -0.09 0.00 0.52 0.00 0.00 54.79 53.57 1a4g n ASP 416 Cb 0.49 -0.54 -0.02 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.42 0.00 -0.67 6.56 -1.97 -3.33 116.57 117.57 1a4g h LYS 417 Ca -0.25 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 1a4g h LYS 417 Cb 0.82 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 1a4g h LYS 417 CO 0.23 0.34 0.00 1.63 -2.06 0.00 0.00 179.45 179.58 1a4g n LYS 418 N -4.83 0.45 -3.85 3.15 5.02 -1.26 -5.08 118.16 111.77 1a4g n LYS 418 Ca -0.02 -0.41 -0.09 0.00 -2.02 0.00 0.00 58.31 55.78 1a4g n LYS 418 Cb 0.06 -0.91 -0.04 0.00 -0.02 0.00 0.00 35.03 34.13 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 -2.93 5.79 -0.35 0.00 1.01 -0.95 -0.61 116.67 118.61 1a4g s ASP 420 Ca 0.14 0.28 -0.10 0.00 0.71 0.00 0.00 52.55 53.58 1a4g s ASP 420 Cb -0.02 -1.79 0.02 0.00 1.01 0.00 0.00 42.92 42.14 1a4g s ASP 420 CO 0.03 0.36 0.18 -0.69 0.21 0.00 0.00 175.17 175.26 1a4g s VAL 421 N -0.78 4.42 0.21 -1.27 1.01 0.61 -0.78 120.40 123.81 1a4g s VAL 421 Ca 0.13 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1a4g s VAL 421 Cb -0.12 -3.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 1a4g s VAL 421 CO 0.03 -0.16 1.13 -2.16 0.00 0.00 0.00 175.10 173.93 1a4g s PRO 422 N 1.53 4.57 0.05 2.72 0.04 -1.26 -0.93 135.00 141.73 1a4g s PRO 422 Ca 0.02 1.79 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 1a4g s PRO 422 Cb -0.19 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1a4g s PRO 422 CO 0.06 0.06 -0.04 0.00 0.04 0.00 0.00 177.00 177.12 1a4g s ILE 424 N -3.40 1.24 0.11 0.00 1.01 0.05 -1.37 121.20 118.85 1a4g s ILE 424 Ca 0.03 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.14 1a4g s ILE 424 Cb 0.04 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1a4g s ILE 424 CO -0.07 0.37 -0.02 -0.83 0.00 0.00 0.00 174.94 174.38 1a4g s GLY 425 N 0.13 1.85 -0.05 6.18 0.00 -0.05 -1.28 107.32 114.10 1a4g s GLY 425 Ca -0.05 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.49 1a4g s GLY 425 CO 0.02 -1.19 -0.05 -0.42 0.00 0.00 0.00 173.10 171.46 1a4g s ILE 426 N -1.39 0.62 -0.21 0.90 1.01 0.43 -1.46 121.20 121.10 1a4g s ILE 426 Ca 0.25 -0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.52 1a4g s ILE 426 Cb -0.11 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 1a4g s ILE 426 CO 0.18 0.25 0.73 -0.70 0.00 0.00 0.00 174.94 175.39 1a4g s GLU 427 N 0.96 4.21 -0.58 2.79 2.12 0.62 -0.85 118.70 127.97 1a4g s GLU 427 Ca -0.10 0.78 -0.00 0.00 0.36 0.00 0.00 54.97 56.00 1a4g s GLU 427 Cb -0.14 -3.60 0.15 0.00 0.26 0.00 0.00 34.13 30.79 1a4g s GLU 427 CO 0.00 -0.35 0.36 -1.64 -0.54 0.00 0.00 175.26 173.09 1a4g s MET 428 N 2.28 2.32 0.30 4.30 -1.94 0.28 -0.75 119.30 126.10 1a4g s MET 428 Ca 0.32 -2.54 -0.29 0.00 -1.71 0.00 0.00 55.69 51.48 1a4g s MET 428 Cb -0.16 -3.57 -0.10 0.00 2.01 0.00 0.00 34.83 33.01 1a4g s MET 428 CO 0.10 -1.14 1.12 0.08 -0.01 0.00 0.00 175.02 175.16 1a4g s VAL 429 N -0.10 3.41 -0.47 -6.03 1.01 -1.26 -1.35 120.40 115.61 1a4g s VAL 429 Ca 0.17 1.38 -0.18 0.00 0.00 0.00 0.00 61.98 63.35 1a4g s VAL 429 Cb -0.22 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1a4g s VAL 429 CO -0.02 0.30 0.54 -1.00 0.00 0.00 0.00 175.10 174.91 1a4g s HIS 430 N -1.21 3.12 -0.22 5.22 3.76 0.71 -4.72 115.29 121.94 1a4g s HIS 430 Ca 0.47 -0.54 -0.00 0.00 -0.15 0.00 0.00 55.06 54.83 1a4g s HIS 430 Cb -0.32 -3.30 0.02 0.00 1.11 0.00 0.00 32.58 30.10 1a4g s HIS 430 CO 0.41 -0.90 -0.12 0.34 -0.85 0.00 0.00 174.74 173.62 1a4g s ASP 431 N 2.41 3.85 -0.12 1.40 2.15 -1.26 -3.06 116.67 122.04 1a4g s ASP 431 Ca 0.13 -0.78 0.17 0.00 0.43 0.00 0.00 52.55 52.50 1a4g s ASP 431 Cb -0.19 -1.59 0.27 0.00 -0.30 0.00 0.00 42.92 41.11 1a4g s ASP 431 CO 0.12 -0.07 1.14 0.61 -0.17 0.00 0.00 175.17 176.79 1a4g n GLY 432 N 4.64 4.61 0.62 2.66 0.00 -1.26 -5.11 105.19 111.35 1a4g n GLY 432 Ca -0.18 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.34 -2.31 0.32 -0.02 0.00 -1.26 -4.49 105.19 96.09 1a4g n GLY 433 Ca 0.15 -1.55 0.21 0.00 0.00 0.00 0.00 46.02 44.83 1a4g n GLY 433 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a4g h LYS 434 N 0.00 0.00 0.00 1.61 5.09 -1.98 -3.09 116.57 118.20 1a4g h LYS 434 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1a4g h LYS 434 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1a4g h LYS 434 CO 0.00 0.00 0.00 0.36 -2.09 0.00 0.00 179.45 177.72 1a4g n LYS 435 N -3.12 0.30 -3.16 0.07 2.85 -1.26 -4.74 118.16 109.11 1a4g n LYS 435 Ca -0.02 0.06 -0.10 0.00 -1.05 0.00 0.00 58.31 57.20 1a4g n LYS 435 Cb 0.15 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 32.99 1a4g n LYS 435 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1a4g n THR 436 N -1.31 0.00 -1.26 0.58 5.66 -1.17 -5.00 114.28 111.78 1a4g n THR 436 Ca 0.11 -1.26 -0.32 0.00 -3.05 0.00 0.00 64.05 59.53 1a4g n THR 436 Cb 0.21 0.66 0.10 0.00 -1.55 0.00 0.00 70.33 69.75 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 -3.05 2.29 -0.06 1.09 1.48 -1.26 -4.82 118.94 114.62 1a4g s TRP 437 Ca 0.21 1.62 -0.02 0.00 -1.06 0.00 0.00 56.10 56.85 1a4g s TRP 437 Cb 0.01 -3.20 0.03 0.00 -1.16 0.00 0.00 33.47 29.15 1a4g s TRP 437 CO 0.15 -2.12 0.03 -1.58 -4.06 0.00 0.00 176.95 169.36 1a4g s HIS 438 N -2.60 0.40 0.00 1.66 2.46 -1.26 -4.46 115.29 111.49 1a4g s HIS 438 Ca 0.65 0.02 0.00 0.00 0.47 0.00 0.00 55.06 56.20 1a4g s HIS 438 Cb -0.21 -0.66 0.00 0.00 -0.13 0.00 0.00 32.58 31.59 1a4g s HIS 438 CO 0.52 -0.26 0.00 0.45 -2.47 0.00 0.00 174.74 172.97 1a4g n SER 439 N 5.18 0.00 -3.71 9.88 2.88 -1.17 -4.47 113.62 122.21 1a4g n SER 439 Ca -0.06 -0.72 -0.11 0.00 -1.33 0.00 0.00 58.87 56.65 1a4g n SER 439 Cb 0.50 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.90 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 -1.03 -0.74 0.29 -1.46 0.00 -1.22 -0.21 121.76 117.38 1a4g s ALA 440 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 51.96 51.94 1a4g s ALA 440 Cb 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 1a4g s ALA 440 CO 0.00 -0.53 0.26 0.00 0.00 0.00 0.00 175.76 175.49 1a4g s ALA 441 N -3.30 3.75 -0.13 0.00 0.00 -0.46 -4.71 121.76 116.91 1a4g s ALA 441 Ca 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.47 1a4g s ALA 441 Cb 0.01 -1.30 0.02 0.00 0.00 0.00 0.00 23.12 21.85 1a4g s ALA 441 CO -0.08 0.14 -0.14 0.99 0.00 0.00 0.00 175.76 176.67 1a4g s THR 442 N -2.19 1.49 -0.07 0.00 2.01 -0.05 -0.55 115.64 116.28 1a4g s THR 442 Ca 0.37 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 1a4g s THR 442 Cb -0.07 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1a4g s THR 442 CO 0.26 0.44 0.04 0.00 -0.69 0.00 0.00 174.62 174.67 1a4g s ALA 443 N 1.35 3.44 -0.10 7.40 0.00 -0.03 -0.54 121.76 133.27 1a4g s ALA 443 Ca 0.01 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1a4g s ALA 443 Cb -0.13 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1a4g s ALA 443 CO -0.08 0.62 -0.22 0.42 0.00 0.00 0.00 175.76 176.50 1a4g s ILE 444 N -0.98 1.93 0.02 0.00 1.09 0.18 -0.42 121.20 123.01 1a4g s ILE 444 Ca 0.16 -0.94 0.08 0.00 -1.10 0.00 0.00 60.65 58.85 1a4g s ILE 444 Cb -0.12 -1.68 -0.02 0.00 -1.06 0.00 0.00 42.46 39.58 1a4g s ILE 444 CO 0.05 0.53 -0.25 -0.31 -0.10 0.00 0.00 174.94 174.86 1a4g s TYR 445 N 0.43 2.23 0.03 3.97 1.51 -0.41 -0.99 117.35 124.13 1a4g s TYR 445 Ca -0.17 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 55.46 1a4g s TYR 445 Cb -0.17 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 1a4g s TYR 445 CO 0.07 0.05 0.01 0.00 -1.11 0.00 0.00 175.55 174.57 1a4g n LEU 447 N 0.90 3.61 -3.26 0.00 7.94 -0.52 -0.86 117.00 124.81 1a4g n LEU 447 Ca -0.19 1.07 0.02 0.00 -1.11 0.00 0.00 56.01 55.79 1a4g n LEU 447 Cb 0.58 -1.51 -0.02 0.00 0.53 0.00 0.00 43.42 43.00 1a4g n LEU 447 CO 0.23 -0.02 0.16 -0.04 -1.11 0.00 0.00 177.39 176.62 1a4g s MET 448 N 1.17 0.55 3.50 1.96 -1.94 0.23 -4.86 119.30 119.92 1a4g s MET 448 Ca 0.77 1.06 0.00 0.00 -1.71 0.00 0.00 55.69 55.81 1a4g s MET 448 Cb -0.58 0.55 0.00 0.00 2.01 0.00 0.00 34.83 36.81 1a4g s MET 448 CO 0.35 -0.54 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 1a4g n GLY 449 N 5.43 1.00 3.70 -0.03 0.00 -1.26 -4.52 105.19 109.50 1a4g n GLY 449 Ca -0.03 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 3.78 0.00 1.61 1.04 -1.26 -0.68 113.70 114.19 1a4g s SER 450 Ca 0.00 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 54.74 1a4g s SER 450 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1a4g s SER 450 CO 0.00 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1a4g n GLY 451 N -1.19 0.87 3.12 7.32 0.00 -1.26 -4.85 105.19 109.20 1a4g n GLY 451 Ca -0.16 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 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 0.70 0.16 1.61 -2.07 -1.26 -4.60 119.66 114.20 1a4g s GLN 452 Ca 0.00 -1.26 -0.31 0.00 -1.82 0.00 0.00 55.36 51.96 1a4g s GLN 452 Cb 0.00 0.04 -0.11 0.00 -1.09 0.00 0.00 33.01 31.86 1a4g s GLN 452 CO 0.00 -0.07 1.71 -1.17 -1.32 0.00 0.00 175.29 174.44 1a4g s LEU 453 N -2.96 4.38 -0.13 2.60 0.20 -1.25 -4.95 118.68 116.56 1a4g s LEU 453 Ca 0.09 2.75 0.14 0.00 0.69 0.00 0.00 54.13 57.79 1a4g s LEU 453 Cb 0.07 -3.59 -0.20 0.00 -0.43 0.00 0.00 46.19 42.05 1a4g s LEU 453 CO -0.08 -0.94 0.09 -0.11 -0.29 0.00 0.00 176.35 175.02 1a4g n LEU 454 N 4.62 0.00 -3.92 -0.68 7.94 -1.26 -4.86 117.00 118.84 1a4g n LEU 454 Ca 0.16 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.96 1a4g n LEU 454 Cb 0.37 0.32 -0.10 0.00 0.53 0.00 0.00 43.42 44.55 1a4g n LEU 454 CO 0.64 0.32 -0.23 0.86 -1.11 0.00 0.00 177.39 177.87 1a4g s TRP 455 N -2.47 0.16 0.44 1.96 -0.00 -1.26 -5.11 118.94 112.65 1a4g s TRP 455 Ca -0.07 -0.38 0.07 0.00 -0.00 0.00 0.00 56.10 55.72 1a4g s TRP 455 Cb 0.05 -0.12 0.01 0.00 -0.00 0.00 0.00 33.47 33.42 1a4g s TRP 455 CO 0.63 -0.30 0.60 0.16 -0.00 0.00 0.00 176.95 178.03 1a4g s ASP 456 N -1.74 5.60 -0.10 5.86 -4.77 -1.26 -4.57 116.67 115.69 1a4g s ASP 456 Ca -0.10 -0.37 0.03 0.00 -3.30 0.00 0.00 52.55 48.81 1a4g s ASP 456 Cb -0.05 -0.69 -0.01 0.00 -1.09 0.00 0.00 42.92 41.09 1a4g s ASP 456 CO -0.02 -0.81 -0.20 -0.89 0.70 0.00 0.00 175.17 173.95 1a4g s THR 457 N -2.41 2.47 0.09 2.11 2.01 0.59 -4.99 115.64 115.52 1a4g s THR 457 Ca 0.55 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.75 1a4g s THR 457 Cb -0.10 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1a4g s THR 457 CO 0.34 0.55 -0.17 0.68 -0.69 0.00 0.00 174.62 175.33 1a4g s VAL 458 N 0.21 2.92 -0.08 3.82 -7.23 -1.26 -4.55 120.40 114.23 1a4g s VAL 458 Ca -0.12 -1.37 0.14 0.00 -1.81 0.00 0.00 61.98 58.82 1a4g s VAL 458 Cb -0.16 -2.31 0.04 0.00 0.56 0.00 0.00 36.38 34.50 1a4g s VAL 458 CO 0.07 0.17 1.46 0.71 -0.31 0.00 0.00 175.10 177.19 1a4g h THR 459 N 3.61 0.98 0.00 5.32 1.35 -1.97 -3.48 112.91 118.73 1a4g h THR 459 Ca -0.49 -2.30 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 1a4g h THR 459 Cb 1.16 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 1a4g h THR 459 CO 0.47 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.90 1a4g n GLY 460 N 1.12 0.75 3.75 5.82 0.00 -1.26 -4.85 105.19 110.53 1a4g n GLY 460 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.12 5.14 -0.39 1.61 1.01 -1.26 -4.97 120.40 118.41 1a4g s VAL 461 Ca 0.00 0.92 -0.13 0.00 0.00 0.00 0.00 61.98 62.77 1a4g s VAL 461 Cb 0.00 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1a4g s VAL 461 CO 0.00 0.40 0.25 -0.62 0.00 0.00 0.00 175.10 175.13 1a4g s ASP 462 N 0.14 5.89 0.01 3.32 2.15 -1.26 -4.97 116.67 121.96 1a4g s ASP 462 Ca 0.25 -0.97 0.05 0.00 0.43 0.00 0.00 52.55 52.31 1a4g s ASP 462 Cb -0.16 -2.08 0.23 0.00 -0.30 0.00 0.00 42.92 40.61 1a4g s ASP 462 CO 0.11 -0.42 1.17 0.23 -0.17 0.00 0.00 175.17 176.09 1a4g n MET 463 N 5.07 0.01 0.10 4.34 2.81 -1.26 -2.41 117.12 125.77 1a4g n MET 463 Ca -0.11 0.43 0.12 0.00 -1.81 0.00 0.00 57.70 56.32 1a4g n MET 463 Cb 0.46 -1.52 0.23 0.00 -0.71 0.00 0.00 33.22 31.69 1a4g n MET 463 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a4g h ALA 464 N 2.16 0.78 0.00 3.04 0.00 -2.03 -3.50 119.26 119.70 1a4g h ALA 464 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a4g h ALA 464 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1a4g h ALA 464 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53