#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d8u s SER 72 N 0.00 -0.58 0.30 9.48 1.04 -1.26 -3.31 113.70 119.37 3d8u s SER 72 Ca 0.00 0.98 0.08 0.00 0.48 0.00 0.00 55.95 57.48 3d8u s SER 72 Cb 0.00 0.94 -0.04 0.00 0.10 0.00 0.00 66.02 67.03 3d8u s SER 72 CO 0.00 -0.29 0.18 0.27 0.98 0.00 0.00 173.24 174.38 3d8u s ILE 73 N -0.16 3.63 -0.08 -1.02 -0.00 0.11 -4.56 121.20 119.12 3d8u s ILE 73 Ca -0.01 -1.55 0.04 0.00 -0.00 0.00 0.00 60.65 59.13 3d8u s ILE 73 Cb -0.03 -3.13 -0.00 0.00 -0.00 0.00 0.00 42.46 39.29 3d8u s ILE 73 CO 0.00 -0.26 -0.22 0.00 -0.00 0.00 0.00 174.94 174.46 3d8u s ALA 74 N -2.29 2.02 0.04 2.27 0.00 -1.16 -1.67 121.76 120.96 3d8u s ALA 74 Ca 0.36 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.46 3d8u s ALA 74 Cb -0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3d8u s ALA 74 CO 0.24 0.30 -0.05 -1.17 0.00 0.00 0.00 175.76 175.08 3d8u s LEU 75 N 0.24 3.25 -0.02 0.00 2.96 -1.26 -1.80 118.68 122.05 3d8u s LEU 75 Ca -0.14 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3d8u s LEU 75 Cb -0.16 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3d8u s LEU 75 CO 0.07 0.24 -0.13 0.27 -1.32 0.00 0.00 176.35 175.47 3d8u s ILE 76 N -1.12 1.07 -0.13 6.68 -0.00 -0.99 -0.07 121.20 126.65 3d8u s ILE 76 Ca 0.20 -0.55 -0.00 0.00 -0.00 0.00 0.00 60.65 60.29 3d8u s ILE 76 Cb -0.11 -0.91 -0.02 0.00 -0.00 0.00 0.00 42.46 41.42 3d8u s ILE 76 CO 0.11 0.31 -0.12 -0.63 -0.00 0.00 0.00 174.94 174.62 3d8u s ILE 77 N -0.13 3.18 0.07 8.37 -1.09 0.12 -4.19 121.20 127.53 3d8u s ILE 77 Ca 0.01 -0.62 -0.27 0.00 -2.23 0.00 0.00 60.65 57.54 3d8u s ILE 77 Cb -0.07 -2.34 -0.17 0.00 -1.58 0.00 0.00 42.46 38.30 3d8u s ILE 77 CO 0.00 0.53 1.62 1.55 -1.23 0.00 0.00 174.94 177.40 3d8u h PRO 78 N 6.58 -0.39 -2.99 2.79 0.13 -1.92 -0.51 132.00 135.68 3d8u h PRO 78 Ca -0.28 0.03 0.06 0.00 -0.87 0.00 0.00 66.00 64.94 3d8u h PRO 78 Cb 1.21 0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.37 3d8u h PRO 78 CO 0.56 -0.22 0.23 -1.54 -0.23 0.00 0.00 178.00 176.81 3d8u s SER 79 N -4.89 -0.29 -0.00 1.44 1.04 -1.26 -0.90 113.70 108.85 3d8u s SER 79 Ca -0.15 -0.55 0.12 0.00 0.48 0.00 0.00 55.95 55.85 3d8u s SER 79 Cb 0.04 0.71 -0.14 0.00 0.10 0.00 0.00 66.02 66.74 3d8u s SER 79 CO 0.63 -1.31 0.46 0.18 0.98 0.00 0.00 173.24 174.18 3d8u n LEU 80 N -0.45 0.45 0.09 2.42 4.32 -1.26 -3.96 117.00 118.60 3d8u n LEU 80 Ca -0.05 -0.40 -0.05 0.00 -0.02 0.00 0.00 56.01 55.49 3d8u n LEU 80 Cb 0.60 0.00 0.10 0.00 -1.62 0.00 0.00 43.42 42.49 3d8u n LEU 80 CO 0.15 0.11 0.43 -0.26 -1.22 0.00 0.00 177.39 176.60 3d8u h PHE 81 N 0.00 0.26 -2.13 -1.77 0.05 -2.02 -3.44 116.94 107.89 3d8u h PHE 81 Ca 0.00 -0.11 -0.57 0.00 3.82 0.00 0.00 57.97 61.11 3d8u h PHE 81 Cb 0.34 -0.04 0.01 0.00 2.00 0.00 0.00 35.95 38.26 3d8u h PHE 81 CO 0.00 0.81 1.27 -1.91 -0.18 0.00 0.00 178.31 178.29 3d8u n GLU 82 N -3.81 2.42 0.22 1.51 4.07 -1.25 -4.84 120.64 118.96 3d8u n GLU 82 Ca -0.02 0.84 0.07 0.00 -0.06 0.00 0.00 57.16 57.99 3d8u n GLU 82 Cb 0.66 -2.94 0.52 0.00 -0.06 0.00 0.00 31.44 29.61 3d8u n GLU 82 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3d8u h LYS 83 N 11.33 0.00 0.05 5.31 1.57 -1.92 -1.60 116.57 131.32 3d8u h LYS 83 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3d8u h LYS 83 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 3d8u h LYS 83 CO 0.95 0.24 -0.16 0.00 -0.57 0.00 0.00 179.45 179.91 3d8u h ALA 84 N 1.76 -0.71 -0.70 3.86 0.00 -1.97 -2.16 119.26 119.35 3d8u h ALA 84 Ca -0.00 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.01 3d8u h ALA 84 Cb 0.49 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 3d8u h ALA 84 CO 0.03 -0.75 0.19 0.00 0.00 0.00 0.00 179.25 178.72 3d8u h ALA 86 N 1.56 -0.47 -0.14 0.00 0.00 -1.02 -2.39 119.26 116.81 3d8u h ALA 86 Ca 0.38 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3d8u h ALA 86 Cb 0.62 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3d8u h ALA 86 CO -0.46 -0.86 0.00 0.72 0.00 0.00 0.00 179.25 178.65 3d8u n HIS 87 N -5.42 0.18 -0.11 0.00 8.25 -0.83 -3.90 115.22 113.39 3d8u n HIS 87 Ca -0.03 -0.09 -0.13 0.00 -0.26 0.00 0.00 57.72 57.21 3d8u n HIS 87 Cb 0.35 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.33 3d8u n HIS 87 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3d8u n PHE 88 N 0.36 0.00 0.22 4.41 7.35 -0.94 -3.05 117.46 125.81 3d8u n PHE 88 Ca 0.17 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.71 3d8u n PHE 88 Cb 0.35 -0.91 -0.07 0.00 0.35 0.00 0.00 39.48 39.19 3d8u n PHE 88 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3d8u h LEU 89 N 0.00 -0.68 0.61 -2.13 7.12 -1.56 -2.75 115.31 115.93 3d8u h LEU 89 Ca -0.52 0.05 -0.03 0.00 0.13 0.00 0.00 57.88 57.51 3d8u h LEU 89 Cb 1.97 0.22 0.01 0.00 -0.53 0.00 0.00 40.66 42.32 3d8u h LEU 89 CO -0.03 -0.40 -0.30 -0.65 -0.13 0.00 0.00 178.44 176.93 3d8u h PRO 90 N -0.61 -0.80 -0.89 5.25 0.11 -1.83 -1.52 132.00 131.72 3d8u h PRO 90 Ca -0.03 0.05 0.35 0.00 0.11 0.00 0.00 66.00 66.48 3d8u h PRO 90 Cb 0.53 0.18 -0.13 0.00 0.11 0.00 0.00 31.00 31.69 3d8u h PRO 90 CO -0.00 -0.53 0.52 0.45 -0.21 0.00 0.00 178.00 178.23 3d8u n SER 91 N -4.72 0.24 0.26 -2.05 2.88 -1.25 -0.63 113.62 108.36 3d8u n SER 91 Ca -0.10 1.24 -0.11 0.00 -1.33 0.00 0.00 58.87 58.57 3d8u n SER 91 Cb 0.33 -0.61 -0.05 0.00 -0.75 0.00 0.00 64.21 63.13 3d8u n SER 91 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3d8u h PHE 92 N 0.00 -0.65 0.00 0.66 3.57 -0.96 -1.65 116.94 117.91 3d8u h PHE 92 Ca 0.68 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.16 3d8u h PHE 92 Cb 1.93 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.89 3d8u h PHE 92 CO -0.01 -0.41 0.00 -0.56 -2.23 0.00 0.00 178.31 175.11 3d8u h GLN 93 N -1.00 0.00 0.51 1.11 3.07 -1.01 0.17 115.11 117.96 3d8u h GLN 93 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.64 3d8u h GLN 93 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 3d8u h GLN 93 CO 0.12 0.00 -0.24 0.37 0.09 0.00 0.00 178.83 179.16 3d8u h GLN 94 N 0.00 -0.65 -0.56 0.06 4.15 -0.89 0.28 115.11 117.51 3d8u h GLN 94 Ca 0.00 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.52 3d8u h GLN 94 Cb 0.59 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.40 3d8u h GLN 94 CO 0.00 -0.44 0.37 0.00 -1.93 0.00 0.00 178.83 176.83 3d8u h ALA 95 N -1.48 1.81 -0.52 3.38 0.00 -1.12 -0.91 119.26 120.42 3d8u h ALA 95 Ca -0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3d8u h ALA 95 Cb 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3d8u h ALA 95 CO 0.11 0.11 -0.08 1.25 0.00 0.00 0.00 179.25 180.64 3d8u h LEU 96 N 0.56 0.93 0.10 0.00 5.85 -0.59 -3.01 115.31 119.15 3d8u h LEU 96 Ca 0.23 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3d8u h LEU 96 Cb 0.22 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3d8u h LEU 96 CO -0.07 1.04 -0.05 0.78 -0.34 0.00 0.00 178.44 179.80 3d8u h ASN 97 N 0.85 -0.12 -1.32 1.25 4.21 0.85 -2.84 115.58 118.46 3d8u h ASN 97 Ca 0.14 -0.28 0.44 0.00 1.21 0.00 0.00 56.30 57.82 3d8u h ASN 97 Cb 0.61 0.03 -0.13 0.00 -1.12 0.00 0.00 38.32 37.71 3d8u h ASN 97 CO 0.04 0.22 0.85 0.11 -1.29 0.00 0.00 177.43 177.36 3d8u h LYS 98 N -0.47 0.07 -2.22 0.81 6.56 -1.17 0.43 116.57 120.59 3d8u h LYS 98 Ca -0.01 -0.00 -0.67 0.00 -1.06 0.00 0.00 60.65 58.90 3d8u h LYS 98 Cb 0.39 -0.01 -0.36 0.00 -0.57 0.00 0.00 32.23 31.67 3d8u h LYS 98 CO 0.02 0.04 -0.01 0.00 -2.06 0.00 0.00 179.45 177.44 3d8u n ALA 99 N -2.51 5.25 0.00 3.86 0.00 -1.08 -4.99 120.51 121.05 3d8u n ALA 99 Ca 0.38 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 49.19 3d8u n ALA 99 Cb 1.46 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3d8u n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d8u n GLY 100 N -0.21 1.94 3.78 0.00 0.00 0.14 -4.96 105.19 105.87 3d8u n GLY 100 Ca 0.38 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3d8u n GLY 100 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d8u s TYR 101 N 0.00 3.45 0.58 1.61 -0.85 -1.15 -4.91 117.35 116.07 3d8u s TYR 101 Ca 0.00 1.69 0.02 0.00 -0.52 0.00 0.00 57.07 58.27 3d8u s TYR 101 Cb 0.00 -3.11 0.06 0.00 0.38 0.00 0.00 41.96 39.28 3d8u s TYR 101 CO 0.00 -0.40 0.80 -0.65 -1.52 0.00 0.00 175.55 173.78 3d8u s GLN 102 N -2.13 2.37 -0.27 -3.49 -1.52 -1.21 -3.53 119.66 109.88 3d8u s GLN 102 Ca 0.53 -0.97 0.01 0.00 -1.95 0.00 0.00 55.36 52.98 3d8u s GLN 102 Cb -0.24 -2.50 0.07 0.00 -0.22 0.00 0.00 33.01 30.13 3d8u s GLN 102 CO 0.30 -0.84 -0.02 -1.17 -0.25 0.00 0.00 175.29 173.31 3d8u s LEU 103 N -4.79 3.10 -0.81 2.90 2.96 -1.26 -0.71 118.68 120.07 3d8u s LEU 103 Ca 0.59 -1.48 -0.11 0.00 -0.22 0.00 0.00 54.13 52.92 3d8u s LEU 103 Cb -0.09 -1.28 0.21 0.00 0.50 0.00 0.00 46.19 45.54 3d8u s LEU 103 CO 0.39 -0.29 0.73 -1.48 -1.32 0.00 0.00 176.35 174.39 3d8u s LEU 104 N 1.28 6.36 0.47 -0.68 2.34 -0.67 -5.00 118.68 122.78 3d8u s LEU 104 Ca -0.00 -2.86 -0.02 0.00 0.06 0.00 0.00 54.13 51.31 3d8u s LEU 104 Cb -0.19 -2.12 -0.02 0.00 -0.56 0.00 0.00 46.19 43.31 3d8u s LEU 104 CO -0.09 -0.49 0.72 -1.48 -1.06 0.00 0.00 176.35 173.96 3d8u s LEU 105 N -0.08 3.63 0.08 1.48 0.05 -1.26 -4.05 118.68 118.52 3d8u s LEU 105 Ca 0.19 0.57 0.02 0.00 0.05 0.00 0.00 54.13 54.96 3d8u s LEU 105 Cb -0.12 -3.45 -0.04 0.00 -2.05 0.00 0.00 46.19 40.53 3d8u s LEU 105 CO -0.08 -0.67 -0.07 -0.83 -0.55 0.00 0.00 176.35 174.16 3d8u s GLY 106 N -4.17 0.65 -0.18 -3.48 0.00 0.89 -4.94 107.32 96.10 3d8u s GLY 106 Ca 0.48 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 44.06 3d8u s GLY 106 CO 0.41 -1.23 -0.17 -0.47 0.00 0.00 0.00 173.10 171.64 3d8u s TYR 107 N -2.90 2.79 -0.11 1.90 5.04 -1.26 0.14 117.35 122.95 3d8u s TYR 107 Ca 0.04 -1.41 0.16 0.00 -2.44 0.00 0.00 57.07 53.42 3d8u s TYR 107 Cb 0.00 -1.93 -0.19 0.00 0.35 0.00 0.00 41.96 40.19 3d8u s TYR 107 CO -0.04 -0.70 0.65 -1.13 -1.34 0.00 0.00 175.55 173.00 3d8u n SER 108 N 4.50 0.69 -2.59 4.32 3.41 -0.20 -4.90 113.62 118.85 3d8u n SER 108 Ca -0.20 0.31 -0.21 0.00 -0.26 0.00 0.00 58.87 58.51 3d8u n SER 108 Cb 0.51 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 3d8u n SER 108 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3d8u n ASP 109 N -2.88 -6.02 0.00 4.04 4.64 -1.19 -1.33 116.55 113.81 3d8u n ASP 109 Ca -0.15 -0.10 0.00 0.00 -1.38 0.00 0.00 54.79 53.16 3d8u n ASP 109 Cb 0.93 -4.96 0.00 0.00 -1.04 0.00 0.00 41.12 36.05 3d8u n ASP 109 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 3d8u n TYR 110 N -4.17 0.00 -2.73 -0.67 4.02 -0.08 -5.00 117.16 108.54 3d8u n TYR 110 Ca -0.21 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.25 3d8u n TYR 110 Cb 0.67 -0.19 -0.03 0.00 -0.02 0.00 0.00 39.34 39.77 3d8u n TYR 110 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3d8u s SER 111 N -3.08 6.83 0.13 7.72 0.15 -0.45 -4.92 113.70 120.08 3d8u s SER 111 Ca 0.00 0.88 -0.22 0.00 0.70 0.00 0.00 55.95 57.31 3d8u s SER 111 Cb 0.00 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 3d8u s SER 111 CO 0.00 -0.84 1.68 0.40 1.20 0.00 0.00 173.24 175.69 3d8u h ILE 112 N 5.73 0.68 -0.55 6.45 5.03 -1.93 0.21 117.51 133.13 3d8u h ILE 112 Ca -0.22 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 64.63 3d8u h ILE 112 Cb 1.07 0.68 -0.11 0.00 -3.03 0.00 0.00 36.82 35.43 3d8u h ILE 112 CO 1.00 0.00 -0.14 -0.33 -0.68 0.00 0.00 178.15 178.00 3d8u h GLU 113 N -0.14 -0.00 -0.66 2.37 3.07 -1.95 -1.63 114.58 115.64 3d8u h GLU 113 Ca 0.08 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 3d8u h GLU 113 Cb 0.26 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 3d8u h GLU 113 CO -0.20 -0.00 0.31 0.37 -1.40 0.00 0.00 179.01 178.08 3d8u h GLN 114 N -0.01 0.95 -0.94 2.33 5.75 -1.78 -1.97 115.11 119.43 3d8u h GLN 114 Ca 0.26 -0.14 0.22 0.00 -0.15 0.00 0.00 58.65 58.85 3d8u h GLN 114 Cb 0.41 -0.17 -0.12 0.00 1.07 0.00 0.00 27.48 28.67 3d8u h GLN 114 CO -0.57 0.76 0.49 1.49 -2.65 0.00 0.00 178.83 178.35 3d8u h GLU 115 N 0.91 0.50 0.34 1.69 4.81 0.36 -1.21 114.58 121.98 3d8u h GLU 115 Ca 0.22 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3d8u h GLU 115 Cb 0.12 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3d8u h GLU 115 CO -0.03 0.33 -0.16 0.93 -0.73 0.00 0.00 179.01 179.35 3d8u h GLU 116 N 0.52 -0.44 -0.99 1.92 3.07 -0.83 0.13 114.58 117.95 3d8u h GLU 116 Ca 0.59 0.03 0.11 0.00 -0.50 0.00 0.00 59.36 59.58 3d8u h GLU 116 Cb 1.08 0.10 -0.13 0.00 -0.84 0.00 0.00 28.75 28.96 3d8u h GLU 116 CO -0.48 -0.29 -0.53 1.63 -1.40 0.00 0.00 179.01 177.93 3d8u n LYS 117 N -4.99 -0.38 0.05 2.33 5.02 -0.81 0.16 118.16 119.54 3d8u n LYS 117 Ca -0.06 1.51 -0.09 0.00 -2.02 0.00 0.00 58.31 57.65 3d8u n LYS 117 Cb 0.18 -2.22 -0.05 0.00 -0.02 0.00 0.00 35.03 32.91 3d8u n LYS 117 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3d8u h LEU 118 N 0.00 -0.88 -0.98 -0.35 -0.00 -1.33 -2.68 115.31 109.09 3d8u h LEU 118 Ca 0.21 0.09 0.12 0.00 -0.00 0.00 0.00 57.88 58.31 3d8u h LEU 118 Cb 0.46 0.33 -0.14 0.00 -0.00 0.00 0.00 40.66 41.31 3d8u h LEU 118 CO -0.95 -0.29 -0.49 0.25 -0.00 0.00 0.00 178.44 176.96 3d8u h LEU 119 N -0.39 -1.79 -0.23 1.67 7.12 0.12 -2.28 115.31 119.53 3d8u h LEU 119 Ca 0.00 0.32 0.06 0.00 0.13 0.00 0.00 57.88 58.39 3d8u h LEU 119 Cb 0.40 0.85 -0.07 0.00 -0.53 0.00 0.00 40.66 41.31 3d8u h LEU 119 CO -0.17 -0.26 -0.25 -1.28 -0.13 0.00 0.00 178.44 176.34 3d8u h SER 120 N -0.01 -0.80 0.93 1.25 0.87 0.17 -2.52 113.55 113.43 3d8u h SER 120 Ca 0.25 0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.89 3d8u h SER 120 Cb 0.51 0.37 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 3d8u h SER 120 CO -0.96 -0.29 -0.30 0.71 -0.53 0.00 0.00 176.83 175.47 3d8u h THR 121 N -0.27 0.71 -0.55 2.23 1.35 -1.08 -2.38 112.91 112.93 3d8u h THR 121 Ca 0.13 -1.34 -0.09 0.00 -0.55 0.00 0.00 66.41 64.55 3d8u h THR 121 Cb 0.47 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 3d8u h THR 121 CO -0.38 0.29 -0.03 -0.26 -0.25 0.00 0.00 175.52 174.90 3d8u h PHE 122 N 0.00 1.04 0.00 4.73 0.05 -1.16 -3.03 116.94 118.58 3d8u h PHE 122 Ca -0.00 -0.18 -0.01 0.00 3.82 0.00 0.00 57.97 61.60 3d8u h PHE 122 Cb 0.84 -0.27 -0.00 0.00 2.00 0.00 0.00 35.95 38.52 3d8u h PHE 122 CO 0.00 0.95 -0.05 -0.07 -0.18 0.00 0.00 178.31 178.96 3d8u h LEU 123 N 0.88 0.00 -1.99 1.54 4.07 -1.20 -2.01 115.31 116.59 3d8u h LEU 123 Ca 0.16 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.25 3d8u h LEU 123 Cb 0.55 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 3d8u h LEU 123 CO 0.03 0.05 0.45 -0.33 -1.08 0.00 0.00 178.44 177.56 3d8u h GLU 124 N 0.00 0.00 -4.72 1.13 5.08 -1.52 -3.25 114.58 111.30 3d8u h GLU 124 Ca -0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 3d8u h GLU 124 Cb 0.12 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.12 3d8u h GLU 124 CO 0.01 0.00 -0.57 0.45 -1.00 0.00 0.00 179.01 177.89 3d8u s SER 125 N -5.47 5.43 -0.77 1.42 0.15 -0.76 -5.05 113.70 108.66 3d8u s SER 125 Ca -0.04 -0.81 -0.28 0.00 0.70 0.00 0.00 55.95 55.51 3d8u s SER 125 Cb 0.17 -1.95 -0.15 0.00 -1.71 0.00 0.00 66.02 62.38 3d8u s SER 125 CO 0.60 -0.27 2.56 -2.11 1.20 0.00 0.00 173.24 175.22 3d8u n ARG 126 N 4.92 0.48 0.02 5.44 0.00 -1.23 -4.81 116.66 121.48 3d8u n ARG 126 Ca -0.13 -0.01 0.02 0.00 -0.00 0.00 0.00 57.85 57.73 3d8u n ARG 126 Cb 0.47 -2.41 -0.10 0.00 -0.00 0.00 0.00 32.46 30.43 3d8u n ARG 126 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3d8u n PRO 127 N 8.70 0.63 -3.57 2.89 -0.04 -1.26 -4.59 135.00 137.76 3d8u n PRO 127 Ca 0.53 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.75 3d8u n PRO 127 Cb 0.27 -1.72 0.03 0.00 -0.04 0.00 0.00 33.50 32.04 3d8u n PRO 127 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d8u n ALA 128 N -2.39 -2.45 0.00 0.55 0.00 -1.26 -4.17 120.51 110.78 3d8u n ALA 128 Ca -0.11 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3d8u n ALA 128 Cb 0.80 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3d8u n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d8u n GLY 129 N -0.60 3.52 3.49 0.00 0.00 -1.24 -4.78 105.19 105.57 3d8u n GLY 129 Ca -0.15 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 3d8u n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d8u s VAL 130 N 0.00 -0.01 -0.06 1.61 0.11 0.26 -2.99 120.40 119.33 3d8u s VAL 130 Ca 0.00 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.14 3d8u s VAL 130 Cb 0.00 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 3d8u s VAL 130 CO 0.00 0.01 -0.24 0.68 -3.33 0.00 0.00 175.10 172.22 3d8u s VAL 131 N 1.31 1.99 0.07 2.04 -7.23 -0.74 -1.16 120.40 116.68 3d8u s VAL 131 Ca -0.08 -1.03 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 3d8u s VAL 131 Cb -0.06 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 3d8u s VAL 131 CO -0.14 0.55 -0.05 -1.48 -0.31 0.00 0.00 175.10 173.68 3d8u s LEU 132 N -0.13 2.47 -0.12 1.32 0.05 -0.57 -2.35 118.68 119.35 3d8u s LEU 132 Ca -0.04 -0.94 -0.06 0.00 0.05 0.00 0.00 54.13 53.14 3d8u s LEU 132 Cb -0.14 0.01 -0.04 0.00 -2.05 0.00 0.00 46.19 43.98 3d8u s LEU 132 CO 0.04 -0.48 0.12 -0.36 -0.55 0.00 0.00 176.35 175.12 3d8u s PHE 133 N -3.40 3.52 0.00 3.48 0.08 -1.26 -1.19 117.98 119.21 3d8u s PHE 133 Ca 0.07 0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.58 3d8u s PHE 133 Cb 0.04 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 3d8u s PHE 133 CO -0.06 0.68 0.00 0.41 -0.10 0.00 0.00 175.22 176.15 3d8u n GLY 134 N 2.06 -0.62 0.04 4.36 0.00 -0.20 -4.84 105.19 106.00 3d8u n GLY 134 Ca -0.20 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.11 3d8u n GLY 134 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d8u n SER 135 N -1.49 1.51 -4.59 1.61 7.64 -1.26 -4.74 113.62 112.30 3d8u n SER 135 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 3d8u n SER 135 Cb 0.00 1.22 -0.03 0.00 -1.01 0.00 0.00 64.21 64.39 3d8u n SER 135 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3d8u s GLU 136 N -2.65 3.06 0.04 1.43 0.41 -1.26 -4.69 118.70 115.03 3d8u s GLU 136 Ca -0.06 1.36 -0.01 0.00 -0.41 0.00 0.00 54.97 55.85 3d8u s GLU 136 Cb 0.07 -4.29 -0.03 0.00 -1.78 0.00 0.00 34.13 28.09 3d8u s GLU 136 CO 0.60 -2.19 -0.03 -1.01 -0.49 0.00 0.00 175.26 172.15 3d8u s HIS 137 N 7.99 0.44 0.28 1.61 3.76 -1.26 -4.97 115.29 123.14 3d8u s HIS 137 Ca 0.82 -0.90 -0.29 0.00 -0.15 0.00 0.00 55.06 54.54 3d8u s HIS 137 Cb -0.22 -0.33 -0.10 0.00 1.11 0.00 0.00 32.58 33.05 3d8u s HIS 137 CO 0.31 -0.32 1.13 -1.54 -0.85 0.00 0.00 174.74 173.47 3d8u s SER 138 N -2.48 7.19 0.45 1.40 1.04 -1.26 -4.91 113.70 115.12 3d8u s SER 138 Ca 0.00 2.33 0.11 0.00 0.48 0.00 0.00 55.95 58.87 3d8u s SER 138 Cb 0.03 -2.63 1.02 0.00 0.10 0.00 0.00 66.02 64.53 3d8u s SER 138 CO -0.07 -0.21 2.08 0.06 0.98 0.00 0.00 173.24 176.07 3d8u h GLN 139 N 3.82 0.27 -1.23 4.02 -0.00 -2.01 -2.68 115.11 117.30 3d8u h GLN 139 Ca -0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.16 3d8u h GLN 139 Cb 1.21 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.64 3d8u h GLN 139 CO 0.67 0.21 0.00 2.89 -0.00 0.00 0.00 178.83 182.60 3d8u n ARG 140 N -4.47 0.44 0.00 0.06 0.00 -1.26 -2.64 116.66 108.78 3d8u n ARG 140 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3d8u n ARG 140 Cb 0.10 -1.26 0.00 0.00 -0.00 0.00 0.00 32.46 31.30 3d8u n ARG 140 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3d8u n THR 141 N 0.63 0.00 0.03 8.89 -1.04 -1.04 -4.89 114.28 116.86 3d8u n THR 141 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3d8u n THR 141 Cb 0.19 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.66 3d8u n THR 141 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3d8u h HIS 142 N 0.00 -0.62 -0.22 -1.42 3.86 -1.25 -2.52 115.15 112.98 3d8u h HIS 142 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3d8u h HIS 142 Cb 0.00 0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3d8u h HIS 142 CO 0.00 -0.32 0.00 1.04 0.86 0.00 0.00 177.93 179.51 3d8u n GLN 143 N -5.36 1.56 -0.08 2.45 3.00 -1.24 0.26 117.38 117.98 3d8u n GLN 143 Ca -0.04 -0.82 -0.14 0.00 -0.01 0.00 0.00 57.00 56.00 3d8u n GLN 143 Cb 0.27 -1.21 -0.09 0.00 0.00 0.00 0.00 30.24 29.21 3d8u n GLN 143 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 3d8u h LEU 144 N 1.30 0.00 0.47 1.08 3.38 -1.77 -3.18 115.31 116.59 3d8u h LEU 144 Ca 0.00 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 3d8u h LEU 144 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3d8u h LEU 144 CO 0.01 1.07 -0.23 0.17 0.09 0.00 0.00 178.44 179.56 3d8u h LEU 145 N -1.00 -0.54 -2.06 1.67 -0.00 -1.25 0.45 115.31 112.58 3d8u h LEU 145 Ca -0.12 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 3d8u h LEU 145 Cb 0.90 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 3d8u h LEU 145 CO -0.08 -0.26 0.00 -1.84 -0.00 0.00 0.00 178.44 176.26 3d8u n GLU 146 N -5.30 0.66 0.00 0.17 0.28 0.14 -1.36 120.64 115.23 3d8u n GLU 146 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 3d8u n GLU 146 Cb 0.30 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.00 3d8u n GLU 146 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3d8u n ALA 147 N 0.72 3.00 0.00 -1.84 0.00 -0.96 -4.75 120.51 116.68 3d8u n ALA 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3d8u n ALA 147 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 3d8u n ALA 147 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3d8u n SER 148 N -2.52 0.00 -3.87 0.00 3.41 0.15 -4.80 113.62 106.00 3d8u n SER 148 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 3d8u n SER 148 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3d8u n SER 148 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3d8u n ASN 149 N -0.83 -1.43 -4.87 4.04 5.15 -0.46 -4.95 115.26 111.91 3d8u n ASN 149 Ca 0.00 -0.86 -0.36 0.00 -0.60 0.00 0.00 54.58 52.76 3d8u n ASN 149 Cb 0.00 -1.05 -0.06 0.00 -0.53 0.00 0.00 39.78 38.15 3d8u n ASN 149 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3d8u s THR 150 N -3.99 5.28 0.28 -0.44 -4.23 -1.24 -5.01 115.64 106.29 3d8u s THR 150 Ca 0.20 0.36 -0.30 0.00 -1.18 0.00 0.00 61.69 60.78 3d8u s THR 150 Cb -0.11 -3.56 -0.10 0.00 1.34 0.00 0.00 72.50 70.06 3d8u s THR 150 CO 0.65 0.48 1.43 -2.16 -0.54 0.00 0.00 174.62 174.49 3d8u s PRO 151 N -1.40 4.26 -0.07 3.99 0.04 -1.26 -4.72 135.00 135.84 3d8u s PRO 151 Ca 0.23 2.34 0.01 0.00 0.04 0.00 0.00 61.00 63.62 3d8u s PRO 151 Cb -0.14 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.34 3d8u s PRO 151 CO 0.12 -0.41 -0.07 0.08 0.04 0.00 0.00 177.00 176.77 3d8u s VAL 152 N -0.31 0.79 -0.04 -0.36 1.01 -1.26 -0.57 120.40 119.67 3d8u s VAL 152 Ca 0.57 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 3d8u s VAL 152 Cb -0.42 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3d8u s VAL 152 CO 0.47 0.30 0.19 -0.22 0.00 0.00 0.00 175.10 175.84 3d8u s LEU 153 N 1.18 4.38 -0.14 3.92 0.20 -0.31 -1.18 118.68 126.73 3d8u s LEU 153 Ca -0.06 0.41 0.01 0.00 0.69 0.00 0.00 54.13 55.18 3d8u s LEU 153 Cb -0.14 -2.49 -0.00 0.00 -0.43 0.00 0.00 46.19 43.13 3d8u s LEU 153 CO -0.02 0.30 -0.16 -1.83 -0.29 0.00 0.00 176.35 174.35 3d8u s GLU 154 N -1.67 3.21 -0.36 1.98 -1.05 -0.72 -1.51 118.70 118.57 3d8u s GLU 154 Ca 0.24 -0.76 -0.17 0.00 -0.15 0.00 0.00 54.97 54.13 3d8u s GLU 154 Cb -0.13 -2.57 -0.00 0.00 -0.44 0.00 0.00 34.13 30.99 3d8u s GLU 154 CO 0.15 0.06 0.46 -1.50 0.95 0.00 0.00 175.26 175.38 3d8u s ILE 155 N 0.69 5.06 0.00 1.83 -1.16 -0.33 -1.74 121.20 125.56 3d8u s ILE 155 Ca -0.08 0.15 0.00 0.00 -0.51 0.00 0.00 60.65 60.22 3d8u s ILE 155 Cb -0.16 -3.94 0.00 0.00 0.61 0.00 0.00 42.46 38.97 3d8u s ILE 155 CO 0.02 -0.22 0.00 0.00 -2.81 0.00 0.00 174.94 171.92 3d8u n ALA 156 N 5.64 0.00 0.01 1.50 0.00 -0.40 -1.03 120.51 126.23 3d8u n ALA 156 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 3d8u n ALA 156 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 3d8u n ALA 156 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3d8u h GLU 157 N 0.00 0.22 -5.67 0.00 4.11 -1.85 -2.95 114.58 108.44 3d8u h GLU 157 Ca 0.00 -0.37 -0.59 0.00 0.07 0.00 0.00 59.36 58.47 3d8u h GLU 157 Cb 0.00 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.30 3d8u h GLU 157 CO 0.00 1.18 0.09 -0.51 0.07 0.00 0.00 179.01 179.84 3d8u s LEU 158 N -7.78 4.16 -0.12 3.06 1.43 -1.26 -4.88 118.68 113.28 3d8u s LEU 158 Ca -0.18 0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 53.57 3d8u s LEU 158 Cb 0.02 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 3d8u s LEU 158 CO 0.77 -0.25 0.48 -0.94 0.23 0.00 0.00 176.35 176.64 3d8u s SER 159 N 1.16 6.69 0.13 2.29 1.04 -1.26 -4.42 113.70 119.32 3d8u s SER 159 Ca 0.29 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.55 3d8u s SER 159 Cb -0.16 -2.29 -0.13 0.00 0.10 0.00 0.00 66.02 63.54 3d8u s SER 159 CO 0.11 -0.00 1.29 0.77 0.98 0.00 0.00 173.24 176.38 3d8u h SER 160 N 6.72 0.27 0.00 7.02 4.64 -1.91 -3.36 113.55 126.94 3d8u h SER 160 Ca -0.41 -0.25 -0.17 0.00 -0.47 0.00 0.00 61.79 60.48 3d8u h SER 160 Cb 1.18 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 3d8u h SER 160 CO 0.76 1.12 -1.65 0.29 -0.87 0.00 0.00 176.83 176.47 3d8u n LYS 161 N -3.57 2.37 -0.50 4.77 4.01 -1.26 -5.01 118.16 118.97 3d8u n LYS 161 Ca -0.05 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 3d8u n LYS 161 Cb 0.90 -1.24 0.00 0.00 -0.51 0.00 0.00 35.03 34.17 3d8u n LYS 161 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3d8u n ALA 162 N -2.37 0.00 0.10 7.82 0.00 -1.26 -4.57 120.51 120.24 3d8u n ALA 162 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.11 3d8u n ALA 162 Cb 0.81 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 19.26 3d8u n ALA 162 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3d8u h SER 163 N 0.00 0.60 -4.15 0.00 4.64 -1.95 -3.47 113.55 109.22 3d8u h SER 163 Ca 0.00 -0.58 -0.50 0.00 -0.47 0.00 0.00 61.79 60.24 3d8u h SER 163 Cb 0.00 -0.19 0.05 0.00 -0.31 0.00 0.00 62.40 61.94 3d8u h SER 163 CO 0.00 1.42 0.34 -0.72 -0.87 0.00 0.00 176.83 177.00 3d8u s TYR 164 N -2.86 3.58 0.88 4.77 -0.00 -1.26 -5.04 117.35 117.42 3d8u s TYR 164 Ca -0.06 1.21 -0.12 0.00 -0.00 0.00 0.00 57.07 58.10 3d8u s TYR 164 Cb 0.07 -2.64 0.12 0.00 -0.00 0.00 0.00 41.96 39.51 3d8u s TYR 164 CO 0.90 -0.54 1.10 -0.51 -0.00 0.00 0.00 175.55 176.50 3d8u s LEU 165 N -4.87 2.22 -0.18 -3.49 2.01 -0.32 -4.87 118.68 109.17 3d8u s LEU 165 Ca 0.54 1.27 -0.16 0.00 0.01 0.00 0.00 54.13 55.79 3d8u s LEU 165 Cb -0.11 -3.70 0.05 0.00 0.01 0.00 0.00 46.19 42.44 3d8u s LEU 165 CO 0.48 -2.47 0.48 0.21 1.01 0.00 0.00 176.35 176.05 3d8u s ASN 166 N -3.72 -0.50 -0.05 2.29 3.84 -1.26 -1.75 114.94 113.78 3d8u s ASN 166 Ca 0.63 0.96 -0.01 0.00 0.21 0.00 0.00 52.86 54.65 3d8u s ASN 166 Cb -0.16 0.97 0.03 0.00 -0.55 0.00 0.00 41.25 41.53 3d8u s ASN 166 CO 0.55 -0.17 0.02 0.27 -2.79 0.00 0.00 177.10 174.99 3d8u s ILE 167 N 0.33 0.18 0.17 -5.21 -0.00 -0.71 -4.96 121.20 111.01 3d8u s ILE 167 Ca -0.01 0.22 -0.16 0.00 -0.00 0.00 0.00 60.65 60.70 3d8u s ILE 167 Cb -0.04 -0.36 0.03 0.00 -0.00 0.00 0.00 42.46 42.09 3d8u s ILE 167 CO -0.00 0.21 0.47 -0.83 -0.00 0.00 0.00 174.94 174.79 3d8u s GLY 168 N 1.86 -0.07 0.13 6.27 0.00 -1.11 -1.27 107.32 113.12 3d8u s GLY 168 Ca 0.02 -0.25 0.07 0.00 0.00 0.00 0.00 44.72 44.56 3d8u s GLY 168 CO -0.04 -0.34 -0.03 -1.34 0.00 0.00 0.00 173.10 171.36 3d8u s VAL 169 N -3.87 3.71 -0.48 1.40 -7.23 -1.26 -2.98 120.40 109.69 3d8u s VAL 169 Ca 0.09 -1.27 -0.22 0.00 -1.81 0.00 0.00 61.98 58.77 3d8u s VAL 169 Cb 0.00 -2.81 0.04 0.00 0.56 0.00 0.00 36.38 34.17 3d8u s VAL 169 CO -0.05 0.01 0.74 -0.62 -0.31 0.00 0.00 175.10 174.87 3d8u s ASP 170 N -2.58 6.32 0.02 4.85 3.68 -1.26 -4.55 116.67 123.15 3d8u s ASP 170 Ca 0.25 -0.44 -0.02 0.00 2.13 0.00 0.00 52.55 54.47 3d8u s ASP 170 Cb -0.10 -2.35 -0.27 0.00 -1.45 0.00 0.00 42.92 38.74 3d8u s ASP 170 CO 0.17 -0.94 0.93 0.45 0.13 0.00 0.00 175.17 175.91 3d8u h HIS 171 N 9.03 0.43 -0.30 -5.34 3.86 -1.92 -2.63 115.15 118.28 3d8u h HIS 171 Ca -0.26 -0.31 0.07 0.00 -1.16 0.00 0.00 60.37 58.71 3d8u h HIS 171 Cb 1.09 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 29.46 3d8u h HIS 171 CO 0.79 1.33 -0.30 0.35 0.86 0.00 0.00 177.93 180.96 3d8u h PHE 172 N 0.06 -0.83 -0.21 2.45 3.57 -1.89 0.65 116.94 120.75 3d8u h PHE 172 Ca -0.21 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.38 3d8u h PHE 172 Cb 2.00 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 41.11 3d8u h PHE 172 CO 0.06 -0.37 -0.04 1.49 -2.23 0.00 0.00 178.31 177.21 3d8u h GLU 173 N -0.28 0.01 -0.50 1.11 4.57 -1.86 0.11 114.58 117.73 3d8u h GLU 173 Ca 0.15 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.43 3d8u h GLU 173 Cb 0.52 -0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.01 3d8u h GLU 173 CO -0.46 0.01 -0.15 0.28 -1.18 0.00 0.00 179.01 177.51 3d8u h VAL 174 N 0.01 0.45 -0.64 0.32 2.07 -0.88 0.54 116.25 118.13 3d8u h VAL 174 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3d8u h VAL 174 Cb 0.15 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3d8u h VAL 174 CO -0.20 0.00 0.39 1.23 0.02 0.00 0.00 177.57 179.01 3d8u h GLY 175 N -0.03 0.92 0.72 2.17 0.00 0.10 -2.39 103.07 104.55 3d8u h GLY 175 Ca 0.24 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3d8u h GLY 175 CO -0.53 0.36 -0.20 1.70 0.00 0.00 0.00 176.54 177.87 3d8u h LYS 176 N 0.86 -0.55 -0.77 4.80 3.64 -0.12 -1.91 116.57 122.51 3d8u h LYS 176 Ca 0.23 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.75 3d8u h LYS 176 Cb -0.04 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 3d8u h LYS 176 CO -0.04 -0.25 0.51 0.00 -2.27 0.00 0.00 179.45 177.40 3d8u h ALA 177 N -0.45 1.81 -0.10 5.00 0.00 0.09 0.51 119.26 126.11 3d8u h ALA 177 Ca -0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3d8u h ALA 177 Cb 0.56 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3d8u h ALA 177 CO 0.10 0.03 -0.47 0.00 0.00 0.00 0.00 179.25 178.90 3d8u h THR 179 N 0.08 1.44 -0.68 0.00 1.03 -0.58 -2.62 112.91 111.57 3d8u h THR 179 Ca -0.03 -2.46 0.14 0.00 -0.01 0.00 0.00 66.41 64.04 3d8u h THR 179 Cb 1.12 2.38 -0.13 0.00 -1.07 0.00 0.00 68.15 70.44 3d8u h THR 179 CO 0.10 0.73 -0.17 -0.09 -0.01 0.00 0.00 175.52 176.07 3d8u h ARG 180 N 0.18 -0.00 -0.30 0.00 2.43 0.13 -1.30 114.38 115.52 3d8u h ARG 180 Ca -0.05 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3d8u h ARG 180 Cb 1.48 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.01 3d8u h ARG 180 CO 0.14 -0.00 0.17 1.25 -1.51 0.00 0.00 179.97 180.02 3d8u h HIS 181 N -0.00 0.31 -0.96 2.20 2.76 -0.39 0.51 115.15 119.59 3d8u h HIS 181 Ca 0.33 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.66 3d8u h HIS 181 Cb 0.50 -0.10 -0.08 0.00 1.55 0.00 0.00 27.41 29.28 3d8u h HIS 181 CO -0.55 0.18 0.61 -0.07 -1.30 0.00 0.00 177.93 176.80 3d8u h LEU 182 N 0.34 0.75 -0.14 0.26 3.38 -1.22 -2.93 115.31 115.76 3d8u h LEU 182 Ca 0.12 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3d8u h LEU 182 Cb 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3d8u h LEU 182 CO -0.06 0.35 -0.33 0.40 0.09 0.00 0.00 178.44 178.89 3d8u h ILE 183 N 0.78 1.37 0.00 1.22 2.04 0.19 -1.04 117.51 122.06 3d8u h ILE 183 Ca 0.50 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3d8u h ILE 183 Cb 0.75 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 3d8u h ILE 183 CO -0.27 0.48 0.00 -1.84 0.00 0.00 0.00 178.15 176.52 3d8u n GLU 184 N -4.37 0.76 -0.01 2.37 0.28 -0.46 -1.84 120.64 117.37 3d8u n GLU 184 Ca -0.07 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.94 3d8u n GLU 184 Cb 0.49 -1.35 0.01 0.00 1.43 0.00 0.00 31.44 32.03 3d8u n GLU 184 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3d8u n GLN 185 N 0.07 0.29 -0.76 3.44 -0.06 -0.47 -4.95 117.38 114.94 3d8u n GLN 185 Ca 0.00 -0.89 0.00 0.00 -2.00 0.00 0.00 57.00 54.11 3d8u n GLN 185 Cb 0.17 -1.04 0.00 0.00 -4.06 0.00 0.00 30.24 25.31 3d8u n GLN 185 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3d8u n GLY 186 N 0.00 0.79 3.34 1.69 0.00 -0.76 -4.97 105.19 105.28 3d8u n GLY 186 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 3d8u n GLY 186 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d8u s PHE 187 N -3.02 4.00 -0.21 1.61 0.40 -0.74 -4.88 117.98 115.15 3d8u s PHE 187 Ca 0.00 -2.34 0.22 0.00 -0.60 0.00 0.00 56.93 54.21 3d8u s PHE 187 Cb 0.00 -3.85 -0.05 0.00 0.51 0.00 0.00 43.02 39.63 3d8u s PHE 187 CO 0.00 -0.99 0.96 1.63 0.70 0.00 0.00 175.22 177.52 3d8u n LYS 188 N 3.43 0.61 -3.29 0.44 5.02 -1.26 -3.92 118.16 119.19 3d8u n LYS 188 Ca 0.20 0.08 -0.46 0.00 -2.02 0.00 0.00 58.31 56.10 3d8u n LYS 188 Cb 0.43 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 3d8u n LYS 188 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3d8u s ASN 189 N -5.25 6.87 -0.29 4.39 3.04 -1.26 -4.97 114.94 117.48 3d8u s ASN 189 Ca -0.02 -2.83 -0.07 0.00 0.04 0.00 0.00 52.86 49.99 3d8u s ASN 189 Cb 0.10 -2.23 0.01 0.00 -1.54 0.00 0.00 41.25 37.59 3d8u s ASN 189 CO 0.81 -0.56 0.07 -0.69 -3.04 0.00 0.00 177.10 173.70 3d8u s VAL 190 N 0.09 3.95 0.39 -5.21 1.01 -1.26 -1.88 120.40 117.48 3d8u s VAL 190 Ca 0.22 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3d8u s VAL 190 Cb -0.09 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 3d8u s VAL 190 CO -0.09 0.10 0.56 -0.83 0.00 0.00 0.00 175.10 174.84 3d8u s GLY 191 N 1.50 1.61 -0.11 4.51 0.00 -1.03 -4.59 107.32 109.21 3d8u s GLY 191 Ca 0.03 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.41 3d8u s GLY 191 CO 0.02 -1.19 -0.01 -0.12 0.00 0.00 0.00 173.10 171.80 3d8u s PHE 192 N -2.34 0.98 -0.21 1.90 5.36 0.16 -0.97 117.98 122.86 3d8u s PHE 192 Ca 0.47 -0.48 -0.05 0.00 -0.96 0.00 0.00 56.93 55.91 3d8u s PHE 192 Cb -0.10 -0.97 -0.02 0.00 -0.34 0.00 0.00 43.02 41.59 3d8u s PHE 192 CO 0.34 -0.44 0.00 0.42 -1.46 0.00 0.00 175.22 174.08 3d8u s ILE 193 N 1.87 3.90 0.04 3.12 1.01 -0.20 -0.50 121.20 130.44 3d8u s ILE 193 Ca 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3d8u s ILE 193 Cb -0.13 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 3d8u s ILE 193 CO -0.07 0.42 -0.08 -0.83 0.00 0.00 0.00 174.94 174.39 3d8u s GLY 194 N 1.13 0.49 0.37 6.18 0.00 -0.61 -1.38 107.32 113.49 3d8u s GLY 194 Ca 0.03 -0.69 0.09 0.00 0.00 0.00 0.00 44.72 44.14 3d8u s GLY 194 CO 0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 173.10 172.38 3d8u s ALA 195 N -1.16 3.15 0.00 3.20 0.00 -1.26 -2.29 121.76 123.39 3d8u s ALA 195 Ca -0.08 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 49.78 3d8u s ALA 195 Cb -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3d8u s ALA 195 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.76 173.64 3d8u n ARG 196 N -0.93 0.00 -0.40 0.00 3.00 0.20 -4.86 116.66 113.67 3d8u n ARG 196 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.69 3d8u n ARG 196 Cb 0.64 -2.68 0.11 0.00 0.00 0.00 0.00 32.46 30.52 3d8u n ARG 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3d8u n GLY 197 N -2.59 -1.80 3.42 5.14 0.00 -0.54 -3.35 105.19 105.47 3d8u n GLY 197 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3d8u n GLY 197 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d8u n ASN 198 N -1.14 0.00 -4.44 1.61 4.13 -1.26 -4.51 115.26 109.65 3d8u n ASN 198 Ca 0.05 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.99 3d8u n ASN 198 Cb 0.22 -0.63 -0.14 0.00 -1.54 0.00 0.00 39.78 37.69 3d8u n ASN 198 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3d8u s HIS 199 N -2.82 2.64 0.44 3.10 2.46 -1.21 -5.03 115.29 114.87 3d8u s HIS 199 Ca 0.00 -0.24 0.21 0.00 0.47 0.00 0.00 55.06 55.50 3d8u s HIS 199 Cb 0.00 -1.62 1.17 0.00 -0.13 0.00 0.00 32.58 32.00 3d8u s HIS 199 CO 0.00 0.12 1.83 0.66 -2.47 0.00 0.00 174.74 174.88 3d8u h SER 200 N 5.45 0.34 -0.43 9.88 4.64 -1.93 -2.83 113.55 128.68 3d8u h SER 200 Ca -0.45 0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 60.80 3d8u h SER 200 Cb 1.15 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3d8u h SER 200 CO 0.50 0.11 -0.21 0.00 -0.87 0.00 0.00 176.83 176.36 3d8u h THR 201 N 0.33 1.28 -0.34 2.95 1.03 -1.95 -3.01 112.91 113.19 3d8u h THR 201 Ca 0.51 -1.36 -0.06 0.00 -0.01 0.00 0.00 66.41 65.48 3d8u h THR 201 Cb 1.41 1.24 -0.02 0.00 -1.07 0.00 0.00 68.15 69.72 3d8u h THR 201 CO -0.18 0.46 -0.07 0.25 -0.01 0.00 0.00 175.52 175.97 3d8u h LEU 202 N 0.72 0.53 -1.35 0.00 5.85 -1.83 -2.06 115.31 117.17 3d8u h LEU 202 Ca 0.09 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3d8u h LEU 202 Cb 0.78 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3d8u h LEU 202 CO 0.06 0.64 -0.32 0.06 -0.34 0.00 0.00 178.44 178.54 3d8u h GLN 203 N 0.52 0.00 0.00 1.25 3.07 -1.58 -1.56 115.11 116.80 3d8u h GLN 203 Ca 0.10 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.67 3d8u h GLN 203 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.97 3d8u h GLN 203 CO 0.02 0.32 -0.83 0.00 0.09 0.00 0.00 178.83 178.44 3d8u h ARG 204 N 0.00 0.00 0.05 0.06 2.47 -1.37 -1.67 114.38 113.92 3d8u h ARG 204 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3d8u h ARG 204 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 3d8u h ARG 204 CO 0.04 0.83 -0.02 1.96 0.56 0.00 0.00 179.97 183.34 3d8u h GLN 205 N 0.00 -0.06 -0.82 0.04 4.20 -0.78 -1.34 115.11 116.34 3d8u h GLN 205 Ca -0.01 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.89 3d8u h GLN 205 Cb 1.48 0.01 -0.15 0.00 0.30 0.00 0.00 27.48 29.12 3d8u h GLN 205 CO 0.11 0.45 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.59 3d8u h LEU 206 N -0.62 -0.50 -0.25 1.46 3.38 -1.36 -0.75 115.31 116.67 3d8u h LEU 206 Ca -0.01 0.23 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 3d8u h LEU 206 Cb 0.55 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3d8u h LEU 206 CO 0.01 -0.24 -0.34 0.45 0.09 0.00 0.00 178.44 178.41 3d8u h HIS 207 N 0.05 0.83 -0.79 1.13 3.86 -1.16 0.22 115.15 119.30 3d8u h HIS 207 Ca 0.44 -0.27 0.06 0.00 -1.16 0.00 0.00 60.37 59.44 3d8u h HIS 207 Cb 0.77 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 29.03 3d8u h HIS 207 CO -0.51 1.02 0.51 0.78 0.86 0.00 0.00 177.93 180.60 3d8u h GLY 208 N 0.39 1.08 0.56 2.45 0.00 -0.94 0.27 103.07 106.89 3d8u h GLY 208 Ca 0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3d8u h GLY 208 CO 0.08 0.26 -0.01 -0.25 0.00 0.00 0.00 176.54 176.63 3d8u h TRP 209 N 0.86 -0.01 -0.71 5.60 7.01 -0.21 -1.30 115.95 127.19 3d8u h TRP 209 Ca 0.34 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.37 3d8u h TRP 209 Cb 0.21 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.24 3d8u h TRP 209 CO -0.00 0.43 0.47 0.37 -2.79 0.00 0.00 178.44 176.92 3d8u h GLN 210 N -0.46 0.82 0.01 2.65 4.15 0.09 -1.88 115.11 120.49 3d8u h GLN 210 Ca -0.00 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 3d8u h GLN 210 Cb 0.44 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3d8u h GLN 210 CO 0.00 0.54 -0.00 1.03 -1.93 0.00 0.00 178.83 178.47 3d8u h SER 211 N 0.84 -0.01 0.00 -0.69 0.87 -0.32 -2.43 113.55 111.81 3d8u h SER 211 Ca 0.29 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3d8u h SER 211 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3d8u h SER 211 CO -0.09 0.27 0.00 0.00 -0.53 0.00 0.00 176.83 176.48 3d8u n ALA 212 N -2.24 1.07 0.00 6.23 0.00 -0.50 -1.06 120.51 124.01 3d8u n ALA 212 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3d8u n ALA 212 Cb 0.16 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3d8u n ALA 212 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3d8u n ILE 214 N 0.62 0.00 -0.27 0.00 5.41 -0.92 -3.26 119.36 120.94 3d8u n ILE 214 Ca 0.00 0.00 0.26 0.00 1.00 0.00 0.00 62.75 64.01 3d8u n ILE 214 Cb 0.00 0.00 0.47 0.00 -0.71 0.00 0.00 39.64 39.40 3d8u n ILE 214 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3d8u n GLU 215 N 0.00 -0.04 -0.90 0.38 2.13 -0.22 0.12 120.64 122.11 3d8u n GLU 215 Ca 0.00 1.03 -0.04 0.00 0.66 0.00 0.00 57.16 58.81 3d8u n GLU 215 Cb 0.00 -1.89 0.28 0.00 0.27 0.00 0.00 31.44 30.09 3d8u n GLU 215 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3d8u n ASN 216 N -4.62 4.57 -3.13 4.31 4.13 -1.20 -4.93 115.26 114.40 3d8u n ASN 216 Ca 0.29 -3.05 -0.22 0.00 1.68 0.00 0.00 54.58 53.29 3d8u n ASN 216 Cb 1.03 -0.72 0.01 0.00 -1.54 0.00 0.00 39.78 38.57 3d8u n ASN 216 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3d8u n TYR 217 N -0.03 -1.83 -4.65 3.10 4.02 0.33 -5.00 117.16 113.08 3d8u n TYR 217 Ca 0.35 0.45 -0.28 0.00 -0.01 0.00 0.00 57.90 58.42 3d8u n TYR 217 Cb 1.26 -3.67 -0.14 0.00 -0.02 0.00 0.00 39.34 36.77 3d8u n TYR 217 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3d8u s LEU 218 N -6.51 2.21 -0.12 7.72 1.43 -1.25 -5.00 118.68 117.16 3d8u s LEU 218 Ca 0.32 -0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 52.59 3d8u s LEU 218 Cb -0.16 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 3d8u s LEU 218 CO 0.40 0.19 0.62 -0.89 0.23 0.00 0.00 176.35 176.90 3d8u s THR 219 N -0.90 5.07 -1.31 5.49 2.01 -1.26 -3.11 115.64 121.64 3d8u s THR 219 Ca 0.10 1.24 -0.13 0.00 0.31 0.00 0.00 61.69 63.22 3d8u s THR 219 Cb -0.10 -3.95 0.13 0.00 0.01 0.00 0.00 72.50 68.58 3d8u s THR 219 CO 0.03 0.23 1.83 -0.81 -0.69 0.00 0.00 174.62 175.21 3d8u n PRO 220 N 4.14 3.33 0.06 4.92 -0.04 -1.26 -4.68 135.00 141.48 3d8u n PRO 220 Ca -0.03 -3.36 -0.21 0.00 -0.04 0.00 0.00 63.50 59.86 3d8u n PRO 220 Cb 0.51 -3.12 -0.15 0.00 -0.04 0.00 0.00 33.50 30.71 3d8u n PRO 220 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3d8u h ASP 221 N 6.39 0.52 -3.88 3.54 5.19 -1.94 -3.45 116.42 122.79 3d8u h ASP 221 Ca 0.42 -0.80 -0.75 0.00 -0.62 0.00 0.00 57.03 55.29 3d8u h ASP 221 Cb 0.72 -0.17 -0.30 0.00 0.18 0.00 0.00 39.33 39.76 3d8u h ASP 221 CO 1.57 1.68 -0.14 -1.00 -3.12 0.00 0.00 179.24 178.23 3d8u s HIS 222 N -2.59 3.57 0.07 4.55 3.76 -1.26 -4.99 115.29 118.40 3d8u s HIS 222 Ca -0.14 -2.25 0.03 0.00 -0.15 0.00 0.00 55.06 52.54 3d8u s HIS 222 Cb 0.06 -3.54 -0.03 0.00 1.11 0.00 0.00 32.58 30.18 3d8u s HIS 222 CO 0.84 -0.93 -0.09 -0.59 -0.85 0.00 0.00 174.74 173.12 3d8u s PHE 223 N 0.22 0.86 0.02 1.40 -0.71 -1.26 0.36 117.98 118.87 3d8u s PHE 223 Ca 0.16 -0.60 0.01 0.00 -1.04 0.00 0.00 56.93 55.47 3d8u s PHE 223 Cb -0.16 -0.50 -0.01 0.00 -1.21 0.00 0.00 43.02 41.14 3d8u s PHE 223 CO -0.06 -0.06 -0.05 -0.51 -1.34 0.00 0.00 175.22 173.21 3d8u s LEU 224 N -2.03 2.13 0.18 -1.99 1.02 0.34 -4.93 118.68 113.40 3d8u s LEU 224 Ca -0.02 -0.30 -0.11 0.00 0.02 0.00 0.00 54.13 53.72 3d8u s LEU 224 Cb -0.06 -0.12 -0.00 0.00 0.02 0.00 0.00 46.19 46.03 3d8u s LEU 224 CO -0.00 -0.10 0.34 0.42 0.02 0.00 0.00 176.35 177.02 3d8u s THR 225 N -0.76 0.05 0.14 5.49 -4.23 -1.26 -1.57 115.64 113.50 3d8u s THR 225 Ca -0.06 -1.30 -0.00 0.00 -1.18 0.00 0.00 61.69 59.15 3d8u s THR 225 Cb -0.06 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 3d8u s THR 225 CO -0.00 -0.23 0.04 0.42 -0.54 0.00 0.00 174.62 174.30 3d8u s THR 226 N -3.96 0.26 -0.35 3.99 -4.23 -0.97 -5.00 115.64 105.39 3d8u s THR 226 Ca 0.17 -1.93 0.22 0.00 -1.18 0.00 0.00 61.69 58.97 3d8u s THR 226 Cb 0.02 -2.05 0.28 0.00 1.34 0.00 0.00 72.50 72.09 3d8u s THR 226 CO 0.01 -0.48 1.59 1.12 -0.54 0.00 0.00 174.62 176.32 3d8u h HIS 227 N 2.83 0.00 -3.54 3.99 2.07 -1.91 -1.18 115.15 117.41 3d8u h HIS 227 Ca -0.35 0.00 -0.43 0.00 -2.85 0.00 0.00 60.37 56.73 3d8u h HIS 227 Cb 1.20 0.00 0.19 0.00 2.57 0.00 0.00 27.41 31.36 3d8u h HIS 227 CO 0.46 0.11 0.10 -1.21 -3.07 0.00 0.00 177.93 174.32 3d8u s GLU 228 N -3.18 -0.68 0.47 5.12 2.02 -1.26 -4.23 118.70 116.95 3d8u s GLU 228 Ca 0.06 0.40 -0.21 0.00 0.02 0.00 0.00 54.97 55.25 3d8u s GLU 228 Cb 0.06 -1.62 -0.09 0.00 0.10 0.00 0.00 34.13 32.58 3d8u s GLU 228 CO 0.68 -3.45 1.01 0.00 0.02 0.00 0.00 175.26 173.51 3d8u s ALA 229 N -2.78 2.93 0.10 5.21 0.00 -1.26 -0.63 121.76 125.33 3d8u s ALA 229 Ca 0.68 0.53 -0.33 0.00 0.00 0.00 0.00 51.96 52.84 3d8u s ALA 229 Cb -0.18 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 3d8u s ALA 229 CO 0.59 -0.15 1.76 -0.35 0.00 0.00 0.00 175.76 177.61 3d8u n PRO 230 N -0.85 2.47 -3.98 0.00 -0.04 -1.26 -4.84 135.00 126.50 3d8u n PRO 230 Ca 0.08 0.90 -0.10 0.00 -0.04 0.00 0.00 63.50 64.35 3d8u n PRO 230 Cb 0.53 -2.74 -0.11 0.00 -0.04 0.00 0.00 33.50 31.14 3d8u n PRO 230 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3d8u s SER 231 N 2.28 0.30 0.22 3.54 1.04 -1.26 -4.82 113.70 114.99 3d8u s SER 231 Ca 0.82 -0.48 -0.09 0.00 0.48 0.00 0.00 55.95 56.69 3d8u s SER 231 Cb -0.59 0.09 0.19 0.00 0.10 0.00 0.00 66.02 65.81 3d8u s SER 231 CO 0.40 -0.27 1.88 0.77 0.98 0.00 0.00 173.24 177.00 3d8u h SER 232 N 4.72 0.88 -0.67 7.02 4.64 -1.88 -1.67 113.55 126.59 3d8u h SER 232 Ca -0.32 -0.02 0.12 0.00 -0.47 0.00 0.00 61.79 61.10 3d8u h SER 232 Cb 1.21 -0.21 -0.12 0.00 -0.31 0.00 0.00 62.40 62.96 3d8u h SER 232 CO 0.42 0.63 -0.33 -0.61 -0.87 0.00 0.00 176.83 176.07 3d8u h GLN 233 N 1.04 -0.12 -0.55 4.77 4.15 -1.95 0.43 115.11 122.89 3d8u h GLN 233 Ca 0.30 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.84 3d8u h GLN 233 Cb -0.08 0.03 -0.11 0.00 0.21 0.00 0.00 27.48 27.53 3d8u h GLN 233 CO -0.08 -0.08 -0.22 1.25 -1.93 0.00 0.00 178.83 177.78 3d8u h LEU 234 N -0.12 -0.76 -0.31 -2.39 6.46 -1.72 0.48 115.31 116.95 3d8u h LEU 234 Ca 0.26 0.19 0.01 0.00 -0.12 0.00 0.00 57.88 58.22 3d8u h LEU 234 Cb 0.56 0.43 -0.02 0.00 -0.73 0.00 0.00 40.66 40.90 3d8u h LEU 234 CO -0.74 -0.24 0.19 1.23 -0.62 0.00 0.00 178.44 178.26 3d8u h GLY 235 N -0.09 0.43 0.55 3.75 0.00 0.09 0.82 103.07 108.62 3d8u h GLY 235 Ca 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3d8u h GLY 235 CO -0.60 0.14 -0.02 0.00 0.00 0.00 0.00 176.54 176.06 3d8u h ALA 236 N 1.13 -0.05 -0.02 3.60 0.00 0.59 -2.24 119.26 122.28 3d8u h ALA 236 Ca 0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3d8u h ALA 236 Cb -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3d8u h ALA 236 CO -0.04 -0.30 -0.34 0.93 0.00 0.00 0.00 179.25 179.49 3d8u h GLU 237 N -0.50 0.03 0.29 0.00 5.08 0.07 -2.32 114.58 117.24 3d8u h GLU 237 Ca -0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3d8u h GLU 237 Cb 0.46 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3d8u h GLU 237 CO 0.01 0.37 -0.14 0.78 -1.00 0.00 0.00 179.01 179.03 3d8u h GLY 238 N 1.05 -0.41 0.24 -3.84 0.00 0.73 -0.82 103.07 100.03 3d8u h GLY 238 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.54 3d8u h GLY 238 CO 0.05 -0.15 -0.19 -2.00 0.00 0.00 0.00 176.54 174.25 3d8u h LEU 239 N -0.43 -0.61 -0.50 3.11 6.46 -1.19 0.11 115.31 122.26 3d8u h LEU 239 Ca -0.04 0.12 0.10 0.00 -0.12 0.00 0.00 57.88 57.94 3d8u h LEU 239 Cb 0.33 0.30 -0.09 0.00 -0.73 0.00 0.00 40.66 40.47 3d8u h LEU 239 CO 0.07 -0.23 -0.09 0.00 -0.62 0.00 0.00 178.44 177.56 3d8u h ALA 240 N 0.93 0.37 -0.52 1.25 0.00 -1.33 0.24 119.26 120.20 3d8u h ALA 240 Ca 0.14 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3d8u h ALA 240 Cb 0.39 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3d8u h ALA 240 CO -0.35 -0.43 0.06 -0.22 0.00 0.00 0.00 179.25 178.31 3d8u h LYS 241 N 0.03 0.84 0.14 0.00 1.63 -0.38 -2.50 116.57 116.31 3d8u h LYS 241 Ca 0.24 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3d8u h LYS 241 Cb 0.37 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3d8u h LYS 241 CO -0.49 0.80 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.18 3d8u h LEU 242 N 0.79 -0.15 -1.95 5.20 3.38 0.14 -3.04 115.31 119.69 3d8u h LEU 242 Ca 0.16 -0.35 0.13 0.00 0.09 0.00 0.00 57.88 57.91 3d8u h LEU 242 Cb 0.39 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3d8u h LEU 242 CO 0.01 0.31 0.34 -0.07 0.09 0.00 0.00 178.44 179.12 3d8u h LEU 243 N -0.66 0.05 -0.18 1.67 -0.00 -0.57 0.13 115.31 115.75 3d8u h LEU 243 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 3d8u h LEU 243 Cb 0.50 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 3d8u h LEU 243 CO 0.03 0.03 0.00 -0.11 -0.00 0.00 0.00 178.44 178.39 3d8u n LEU 244 N -4.41 0.74 -0.06 1.67 7.94 -0.95 -2.45 117.00 119.47 3d8u n LEU 244 Ca 0.08 0.60 -0.22 0.00 -1.11 0.00 0.00 56.01 55.36 3d8u n LEU 244 Cb 0.52 -0.39 -0.12 0.00 0.53 0.00 0.00 43.42 43.95 3d8u n LEU 244 CO 0.36 -0.27 -0.87 -1.14 -1.11 0.00 0.00 177.39 174.36 3d8u n ARG 245 N -2.22 0.66 -3.52 1.96 3.00 0.32 -4.89 116.66 111.98 3d8u n ARG 245 Ca 0.05 0.35 -0.24 0.00 -0.00 0.00 0.00 57.85 58.01 3d8u n ARG 245 Cb 0.37 -1.67 -0.14 0.00 0.00 0.00 0.00 32.46 31.02 3d8u n ARG 245 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3d8u s ASP 246 N -6.97 2.41 0.36 6.15 -1.08 -0.45 -5.00 116.67 112.09 3d8u s ASP 246 Ca -0.28 -0.78 0.27 0.00 -0.52 0.00 0.00 52.55 51.24 3d8u s ASP 246 Cb 0.08 -0.00 1.09 0.00 -1.46 0.00 0.00 42.92 42.62 3d8u s ASP 246 CO 0.66 -0.38 1.80 0.77 0.52 0.00 0.00 175.17 178.54 3d8u h SER 247 N 8.36 0.00 0.38 -0.34 4.64 -1.75 -2.72 113.55 122.11 3d8u h SER 247 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3d8u h SER 247 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3d8u h SER 247 CO 0.35 0.00 -0.06 -1.54 -0.87 0.00 0.00 176.83 174.71 3d8u n SER 248 N -2.54 0.27 -4.64 4.97 3.41 -1.26 -4.87 113.62 108.96 3d8u n SER 248 Ca 0.02 -0.51 -0.53 0.00 -0.26 0.00 0.00 58.87 57.60 3d8u n SER 248 Cb 0.27 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 3d8u n SER 248 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3d8u n LEU 249 N -1.05 2.16 -0.32 1.04 7.94 -1.03 -4.87 117.00 120.88 3d8u n LEU 249 Ca 0.16 1.09 0.03 0.00 -1.11 0.00 0.00 56.01 56.18 3d8u n LEU 249 Cb 0.24 -1.22 0.04 0.00 0.53 0.00 0.00 43.42 43.02 3d8u n LEU 249 CO 0.23 -0.71 0.35 -0.46 -1.11 0.00 0.00 177.39 175.69 3d8u n ASN 250 N 3.72 0.77 -3.55 1.96 0.23 -0.79 -4.86 115.26 112.74 3d8u n ASN 250 Ca 0.21 -2.26 -0.13 0.00 -0.53 0.00 0.00 54.58 51.87 3d8u n ASN 250 Cb 0.19 -0.25 -0.05 0.00 -2.08 0.00 0.00 39.78 37.60 3d8u n ASN 250 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3d8u s ALA 251 N -0.89 -1.35 -0.11 -2.53 0.00 -1.12 -1.56 121.76 114.20 3d8u s ALA 251 Ca 0.10 0.53 -0.05 0.00 0.00 0.00 0.00 51.96 52.53 3d8u s ALA 251 Cb 0.08 0.50 0.05 0.00 0.00 0.00 0.00 23.12 23.76 3d8u s ALA 251 CO 0.01 -0.57 0.26 -1.17 0.00 0.00 0.00 175.76 174.29 3d8u s LEU 252 N -2.19 0.25 -0.04 0.00 2.96 -0.13 -2.47 118.68 117.06 3d8u s LEU 252 Ca -0.03 0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 54.34 3d8u s LEU 252 Cb -0.00 0.75 -0.05 0.00 0.50 0.00 0.00 46.19 47.39 3d8u s LEU 252 CO -0.05 -0.18 0.27 -0.69 -1.32 0.00 0.00 176.35 174.38 3d8u s VAL 253 N 1.50 5.29 -0.06 1.68 1.01 -0.14 -1.27 120.40 128.41 3d8u s VAL 253 Ca -0.07 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.29 3d8u s VAL 253 Cb -0.11 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.75 3d8u s VAL 253 CO -0.09 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.46 3d8u h SER 255 N 7.41 0.65 -4.71 0.00 4.64 -1.54 0.02 113.55 120.02 3d8u h SER 255 Ca -0.33 -0.18 -0.28 0.00 -0.47 0.00 0.00 61.79 60.54 3d8u h SER 255 Cb 1.15 -0.17 -0.22 0.00 -0.31 0.00 0.00 62.40 62.85 3d8u h SER 255 CO 0.44 0.78 -0.73 -1.00 -0.87 0.00 0.00 176.83 175.45 3d8u s HIS 256 N -4.79 0.64 0.32 4.77 3.76 -1.26 -3.89 115.29 114.85 3d8u s HIS 256 Ca -0.08 -0.47 0.05 0.00 -0.15 0.00 0.00 55.06 54.41 3d8u s HIS 256 Cb 0.14 -0.39 0.69 0.00 1.11 0.00 0.00 32.58 34.13 3d8u s HIS 256 CO 0.80 -0.08 1.85 1.49 -0.85 0.00 0.00 174.74 177.96 3d8u h GLU 257 N 4.61 0.82 -0.69 1.40 4.81 -1.87 -1.61 114.58 122.05 3d8u h GLU 257 Ca -0.35 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 58.90 3d8u h GLU 257 Cb 1.20 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.33 3d8u h GLU 257 CO 0.41 0.54 0.37 0.93 -0.73 0.00 0.00 179.01 180.53 3d8u h GLU 258 N 0.84 0.63 -0.71 1.92 3.07 -1.92 -2.14 114.58 116.27 3d8u h GLU 258 Ca 0.47 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.28 3d8u h GLU 258 Cb 0.60 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 3d8u h GLU 258 CO -0.23 0.42 0.41 0.82 -1.40 0.00 0.00 179.01 179.03 3d8u h ILE 259 N 0.65 1.21 -0.56 3.13 2.04 -1.44 -2.53 117.51 120.01 3d8u h ILE 259 Ca 0.32 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 3d8u h ILE 259 Cb 0.27 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3d8u h ILE 259 CO -0.22 0.22 0.14 0.00 0.00 0.00 0.00 178.15 178.30 3d8u h ALA 260 N 1.21 1.20 -0.29 1.87 0.00 -1.36 -1.24 119.26 120.67 3d8u h ALA 260 Ca 0.25 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 3d8u h ALA 260 Cb -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3d8u h ALA 260 CO -0.04 0.55 -0.53 0.82 0.00 0.00 0.00 179.25 180.04 3d8u h ILE 261 N 0.83 1.28 0.66 0.00 1.08 -1.07 0.74 117.51 121.02 3d8u h ILE 261 Ca 0.18 -1.72 -0.03 0.00 -0.39 0.00 0.00 64.86 62.90 3d8u h ILE 261 Cb 0.29 1.62 -0.00 0.00 -3.07 0.00 0.00 36.82 35.65 3d8u h ILE 261 CO -0.00 0.56 -0.42 1.23 -0.69 0.00 0.00 178.15 178.82 3d8u h GLY 262 N 0.74 -1.20 -0.87 5.37 0.00 -1.27 -0.96 103.07 104.88 3d8u h GLY 262 Ca 0.02 0.50 0.39 0.00 0.00 0.00 0.00 47.33 48.24 3d8u h GLY 262 CO 0.12 -0.40 0.63 0.00 0.00 0.00 0.00 176.54 176.89 3d8u h ALA 263 N -1.26 2.25 0.28 3.60 0.00 -1.17 0.41 119.26 123.37 3d8u h ALA 263 Ca -0.09 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3d8u h ALA 263 Cb 0.82 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3d8u h ALA 263 CO 0.08 -0.94 -0.14 1.25 0.00 0.00 0.00 179.25 179.50 3d8u h LEU 264 N 0.13 -0.32 -0.94 0.00 6.46 0.04 -1.92 115.31 118.76 3d8u h LEU 264 Ca 0.80 -0.21 0.21 0.00 -0.12 0.00 0.00 57.88 58.56 3d8u h LEU 264 Cb 2.14 0.08 -0.11 0.00 -0.73 0.00 0.00 40.66 42.04 3d8u h LEU 264 CO -0.62 0.11 0.51 -0.26 -0.62 0.00 0.00 178.44 177.56 3d8u h PHE 265 N -0.84 0.87 -0.22 1.25 0.04 -0.36 -1.93 116.94 115.74 3d8u h PHE 265 Ca -0.04 0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.83 3d8u h PHE 265 Cb 0.52 -0.24 -0.07 0.00 2.20 0.00 0.00 35.95 38.35 3d8u h PHE 265 CO 0.04 0.09 -0.30 1.49 -0.60 0.00 0.00 178.31 179.03 3d8u h GLU 266 N 0.58 -0.31 -0.96 1.51 4.22 0.04 -1.00 114.58 118.66 3d8u h GLU 266 Ca 0.57 0.02 0.26 0.00 0.08 0.00 0.00 59.36 60.29 3d8u h GLU 266 Cb 0.99 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 30.18 3d8u h GLU 266 CO -0.45 -0.21 0.49 0.00 -2.18 0.00 0.00 179.01 176.66 3d8u h HIS 268 N 0.41 0.25 -0.55 0.00 3.86 -0.75 0.37 115.15 118.74 3d8u h HIS 268 Ca 0.64 -0.05 0.15 0.00 -1.16 0.00 0.00 60.37 59.95 3d8u h HIS 268 Cb 1.29 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.68 3d8u h HIS 268 CO -0.07 0.51 0.39 -0.09 0.86 0.00 0.00 177.93 179.53 3d8u h ARG 269 N -0.08 0.05 -0.24 2.45 2.43 -0.04 0.18 114.38 119.14 3d8u h ARG 269 Ca 0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3d8u h ARG 269 Cb 0.42 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3d8u h ARG 269 CO 0.01 0.04 0.00 0.54 -1.51 0.00 0.00 179.97 179.05 3d8u n ARG 270 N -4.39 2.43 -3.78 0.20 1.74 -0.33 -4.94 116.66 107.59 3d8u n ARG 270 Ca 0.10 -2.14 -0.29 0.00 -0.77 0.00 0.00 57.85 54.75 3d8u n ARG 270 Cb 0.59 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.56 3d8u n ARG 270 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3d8u n VAL 271 N 1.44 -4.73 -3.91 1.55 0.31 0.63 -4.93 118.33 108.68 3d8u n VAL 271 Ca 0.17 -0.76 -0.30 0.00 -0.01 0.00 0.00 64.34 63.44 3d8u n VAL 271 Cb 0.60 -3.69 -0.14 0.00 -0.91 0.00 0.00 33.84 29.70 3d8u n VAL 271 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3d8u s LEU 272 N -6.68 3.97 0.39 7.52 2.96 0.12 -5.03 118.68 121.93 3d8u s LEU 272 Ca 0.27 -2.42 -0.24 0.00 -0.22 0.00 0.00 54.13 51.52 3d8u s LEU 272 Cb -0.10 -1.44 -0.12 0.00 0.50 0.00 0.00 46.19 45.03 3d8u s LEU 272 CO 0.87 -0.32 0.80 0.29 -1.32 0.00 0.00 176.35 176.66 3d8u n LYS 273 N 3.87 0.96 -3.98 1.98 5.02 -1.26 -4.66 118.16 120.09 3d8u n LYS 273 Ca 0.04 0.34 -0.27 0.00 -2.02 0.00 0.00 58.31 56.41 3d8u n LYS 273 Cb 0.38 -1.75 -0.17 0.00 -0.02 0.00 0.00 35.03 33.47 3d8u n LYS 273 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3d8u s VAL 274 N -1.31 1.08 -1.84 -0.18 -7.23 -1.26 -1.01 120.40 108.64 3d8u s VAL 274 Ca 0.63 -0.33 0.23 0.00 -1.81 0.00 0.00 61.98 60.70 3d8u s VAL 274 Cb -0.61 -1.08 -0.00 0.00 0.56 0.00 0.00 36.38 35.25 3d8u s VAL 274 CO 0.57 0.37 1.13 -0.81 -0.31 0.00 0.00 175.10 176.06 3d8u n PRO 275 N 4.82 0.97 0.22 4.82 -0.05 -1.23 -4.70 135.00 139.86 3d8u n PRO 275 Ca -0.14 -0.78 0.09 0.00 -0.05 0.00 0.00 63.50 62.62 3d8u n PRO 275 Cb 0.50 -1.48 0.52 0.00 -0.05 0.00 0.00 33.50 32.98 3d8u n PRO 275 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 175.50 177.24 3d8u h THR 276 N 1.90 0.76 0.00 0.52 1.35 -1.95 -2.78 112.91 112.72 3d8u h THR 276 Ca 0.00 -1.01 -0.39 0.00 -0.55 0.00 0.00 66.41 64.46 3d8u h THR 276 Cb 0.69 1.62 -0.07 0.00 -1.73 0.00 0.00 68.15 68.66 3d8u h THR 276 CO 0.00 0.24 -2.46 0.47 -0.25 0.00 0.00 175.52 173.52 3d8u n ASP 277 N -3.65 1.80 -3.72 5.36 8.00 -0.18 -4.98 116.55 119.18 3d8u n ASP 277 Ca -0.01 -0.12 -0.14 0.00 0.71 0.00 0.00 54.79 55.24 3d8u n ASP 277 Cb 0.37 -0.29 -0.14 0.00 -0.02 0.00 0.00 41.12 41.03 3d8u n ASP 277 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3d8u s ILE 278 N -2.52 -0.12 0.46 0.53 1.01 -0.79 -4.54 121.20 115.24 3d8u s ILE 278 Ca -0.32 0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 3d8u s ILE 278 Cb 0.09 -0.32 -0.08 0.00 0.01 0.00 0.00 42.46 42.16 3d8u s ILE 278 CO 0.63 0.09 0.90 0.00 0.00 0.00 0.00 174.94 176.55 3d8u s ALA 279 N 1.51 3.17 -0.03 9.38 0.00 -0.60 -3.56 121.76 131.63 3d8u s ALA 279 Ca -0.06 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 3d8u s ALA 279 Cb -0.11 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 20.05 3d8u s ALA 279 CO -0.07 -0.11 0.09 0.42 0.00 0.00 0.00 175.76 176.09 3d8u s ILE 280 N -2.49 0.01 -0.07 0.00 1.01 -0.95 -0.95 121.20 117.77 3d8u s ILE 280 Ca 0.56 -0.08 -0.06 0.00 0.00 0.00 0.00 60.65 61.07 3d8u s ILE 280 Cb -0.10 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.22 3d8u s ILE 280 CO 0.30 -0.04 0.18 -0.51 0.00 0.00 0.00 174.94 174.86 3d8u s ILE 281 N -0.10 -0.00 -0.10 2.92 2.07 -0.40 -4.27 121.20 121.32 3d8u s ILE 281 Ca -0.02 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.21 3d8u s ILE 281 Cb -0.01 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 42.28 3d8u s ILE 281 CO 0.00 0.01 0.04 0.00 -1.91 0.00 0.00 174.94 173.08 3d8u n LEU 283 N 2.15 0.44 -2.99 0.00 4.32 -0.01 -0.72 117.00 120.21 3d8u n LEU 283 Ca -0.19 0.08 -0.07 0.00 -0.02 0.00 0.00 56.01 55.82 3d8u n LEU 283 Cb 0.54 -0.28 -0.01 0.00 -1.62 0.00 0.00 43.42 42.04 3d8u n LEU 283 CO 0.29 0.10 0.04 -0.70 -1.22 0.00 0.00 177.39 175.90 3d8u s GLU 284 N -2.89 0.96 0.39 3.23 2.12 -1.25 -4.64 118.70 116.63 3d8u s GLU 284 Ca 0.15 -0.99 0.08 0.00 0.36 0.00 0.00 54.97 54.57 3d8u s GLU 284 Cb 0.18 -0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.32 3d8u s GLU 284 CO 0.62 -1.29 0.39 0.20 -0.54 0.00 0.00 175.26 174.64 3d8u s GLY 285 N 1.05 1.99 0.29 -1.50 0.00 -0.73 -4.03 107.32 104.39 3d8u s GLY 285 Ca 0.26 -1.77 -0.14 0.00 0.00 0.00 0.00 44.72 43.07 3d8u s GLY 285 CO -0.07 -1.62 0.59 -1.35 0.00 0.00 0.00 173.10 170.65 3d8u s SER 286 N -4.14 0.04 0.00 1.64 1.04 -1.26 -4.60 113.70 106.42 3d8u s SER 286 Ca 0.47 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.93 3d8u s SER 286 Cb -0.05 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3d8u s SER 286 CO 0.29 -1.30 0.00 -1.54 0.98 0.00 0.00 173.24 171.66 3d8u n SER 287 N -0.73 0.00 0.00 7.02 3.41 -1.26 -2.62 113.62 119.44 3d8u n SER 287 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3d8u n SER 287 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3d8u n SER 287 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d8u n GLY 289 N 0.61 0.00 0.26 5.00 0.00 -1.26 -3.21 105.19 106.58 3d8u n GLY 289 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3d8u n GLY 289 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3d8u h GLU 290 N 0.00 0.06 -0.33 1.61 5.08 -1.74 -0.65 114.58 118.60 3d8u h GLU 290 Ca 0.00 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3d8u h GLU 290 Cb 0.00 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 3d8u h GLU 290 CO 0.00 0.04 -0.01 0.72 -1.00 0.00 0.00 179.01 178.76 3d8u n HIS 291 N -5.37 1.09 -1.63 4.33 8.25 -1.20 -4.42 115.22 116.26 3d8u n HIS 291 Ca 0.10 -1.30 -0.29 0.00 -0.26 0.00 0.00 57.72 55.97 3d8u n HIS 291 Cb 0.39 -0.43 0.14 0.00 1.12 0.00 0.00 29.99 31.21 3d8u n HIS 291 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d8u s ALA 292 N -3.07 1.93 -0.07 -1.41 0.00 -1.05 -4.97 121.76 113.11 3d8u s ALA 292 Ca 0.44 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 3d8u s ALA 292 Cb 0.38 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.56 3d8u s ALA 292 CO 0.04 -2.29 0.01 -0.47 0.00 0.00 0.00 175.76 173.05 3d8u s TYR 293 N -3.41 0.56 0.61 0.00 6.14 -1.26 -1.95 117.35 118.05 3d8u s TYR 293 Ca 0.66 -0.09 -0.19 0.00 0.64 0.00 0.00 57.07 58.08 3d8u s TYR 293 Cb -0.12 -0.75 -0.03 0.00 0.42 0.00 0.00 41.96 41.49 3d8u s TYR 293 CO 0.53 -0.30 1.26 -2.30 0.64 0.00 0.00 175.55 175.37 3d8u n PRO 294 N 5.17 1.24 -0.53 4.97 -0.02 -1.26 -4.98 135.00 139.58 3d8u n PRO 294 Ca -0.06 0.48 -0.08 0.00 -2.02 0.00 0.00 63.50 61.81 3d8u n PRO 294 Cb 0.50 -2.49 0.08 0.00 -0.02 0.00 0.00 33.50 31.57 3d8u n PRO 294 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3d8u n SER 295 N -1.48 -2.48 -4.03 2.55 7.64 -0.82 -4.64 113.62 110.36 3d8u n SER 295 Ca 0.14 -0.24 -0.28 0.00 1.01 0.00 0.00 58.87 59.49 3d8u n SER 295 Cb 0.47 -0.59 -0.17 0.00 -1.01 0.00 0.00 64.21 62.91 3d8u n SER 295 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3d8u s LEU 296 N 0.00 1.66 -0.16 -3.43 2.96 -0.28 -3.13 118.68 116.30 3d8u s LEU 296 Ca 0.18 -0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 53.38 3d8u s LEU 296 Cb -0.03 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.58 3d8u s LEU 296 CO 0.16 -0.01 1.10 -0.89 -1.32 0.00 0.00 176.35 175.39 3d8u s THR 297 N 1.14 4.56 0.05 3.68 2.01 -1.26 -4.54 115.64 121.28 3d8u s THR 297 Ca -0.03 1.87 -0.01 0.00 0.31 0.00 0.00 61.69 63.83 3d8u s THR 297 Cb -0.14 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 3d8u s THR 297 CO -0.04 -0.10 -0.03 -0.94 -0.69 0.00 0.00 174.62 172.82 3d8u s SER 298 N 1.38 0.52 -0.12 3.53 1.04 -1.09 -1.07 113.70 117.89 3d8u s SER 298 Ca 0.49 -0.91 -0.22 0.00 0.48 0.00 0.00 55.95 55.79 3d8u s SER 298 Cb -0.19 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 3d8u s SER 298 CO 0.13 -0.53 0.67 0.00 0.98 0.00 0.00 173.24 174.49 3d8u s ALA 299 N -3.45 3.42 -0.03 5.32 0.00 0.11 -1.26 121.76 125.87 3d8u s ALA 299 Ca 0.03 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.02 3d8u s ALA 299 Cb 0.05 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 3d8u s ALA 299 CO -0.08 -0.26 -0.15 -2.00 0.00 0.00 0.00 175.76 173.27 3d8u s GLU 300 N 1.20 1.42 0.25 0.00 2.12 -0.29 -1.76 118.70 121.63 3d8u s GLU 300 Ca 0.34 -0.52 0.11 0.00 0.36 0.00 0.00 54.97 55.26 3d8u s GLU 300 Cb -0.17 -1.29 -0.05 0.00 0.26 0.00 0.00 34.13 32.88 3d8u s GLU 300 CO 0.14 0.25 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.89 3d8u s PHE 301 N -0.08 2.40 -0.92 5.30 0.08 -1.26 -2.67 117.98 120.84 3d8u s PHE 301 Ca -0.00 -0.30 -0.07 0.00 0.12 0.00 0.00 56.93 56.67 3d8u s PHE 301 Cb -0.09 -1.08 0.23 0.00 -0.57 0.00 0.00 43.02 41.51 3d8u s PHE 301 CO 0.01 0.64 0.85 0.34 -0.10 0.00 0.00 175.22 176.96 3d8u s ASP 302 N -3.32 6.54 0.21 1.36 -1.08 -1.26 -4.85 116.67 114.27 3d8u s ASP 302 Ca 0.28 -3.31 0.26 0.00 -0.52 0.00 0.00 52.55 49.26 3d8u s ASP 302 Cb -0.06 -2.08 0.85 0.00 -1.46 0.00 0.00 42.92 40.17 3d8u s ASP 302 CO 0.15 -0.34 1.77 -1.22 0.52 0.00 0.00 175.17 176.05 3d8u n TYR 303 N 3.01 0.89 -0.02 -5.34 4.02 -1.26 -2.83 117.16 115.64 3d8u n TYR 303 Ca 0.19 0.27 -0.19 0.00 -0.01 0.00 0.00 57.90 58.16 3d8u n TYR 303 Cb 0.40 -0.95 -0.14 0.00 -0.02 0.00 0.00 39.34 38.64 3d8u n TYR 303 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 3d8u h GLU 304 N 0.00 0.15 -0.33 -0.72 9.09 -1.86 0.18 114.58 121.09 3d8u h GLU 304 Ca 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 59.36 59.15 3d8u h GLU 304 Cb 0.66 0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 3d8u h GLU 304 CO 0.00 1.13 0.00 -2.13 0.05 0.00 0.00 179.01 178.06 3d8u n ARG 305 N -4.26 0.00 0.00 1.06 3.00 -1.13 -0.31 116.66 115.02 3d8u n ARG 305 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 3d8u n ARG 305 Cb 0.72 -0.99 0.00 0.00 0.00 0.00 0.00 32.46 32.19 3d8u n ARG 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3d8u n GLY 307 N 0.50 0.00 0.16 5.14 0.00 0.62 0.25 105.19 111.87 3d8u n GLY 307 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3d8u n GLY 307 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3d8u h THR 308 N 0.00 0.00 0.00 2.61 2.02 -0.84 -3.22 112.91 113.48 3d8u h THR 308 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3d8u h THR 308 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3d8u h THR 308 CO 0.00 0.00 0.09 0.29 0.37 0.00 0.00 175.52 176.27 3d8u n LYS 309 N -3.19 0.00 -0.04 6.66 5.02 0.14 -0.63 118.16 126.11 3d8u n LYS 309 Ca -0.05 0.41 -0.05 0.00 -2.02 0.00 0.00 58.31 56.61 3d8u n LYS 309 Cb 0.16 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 3d8u n LYS 309 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d8u h ALA 310 N 1.65 -0.03 -0.29 7.82 0.00 -1.78 -3.21 119.26 123.42 3d8u h ALA 310 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3d8u h ALA 310 Cb 0.18 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 3d8u h ALA 310 CO 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 179.25 178.88 3d8u h ALA 311 N -0.68 -0.29 -0.77 0.00 0.00 -0.92 -0.99 119.26 115.61 3d8u h ALA 311 Ca -0.00 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.14 3d8u h ALA 311 Cb 0.34 0.69 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 3d8u h ALA 311 CO 0.01 -0.77 -0.10 0.93 0.00 0.00 0.00 179.25 179.31 3d8u h GLU 312 N -0.32 0.04 0.15 0.00 5.08 -1.69 0.55 114.58 118.38 3d8u h GLU 312 Ca 0.14 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3d8u h GLU 312 Cb 0.55 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 3d8u h GLU 312 CO -0.47 0.03 -0.35 0.87 -1.00 0.00 0.00 179.01 178.08 3d8u h LYS 313 N 0.04 -0.58 -0.44 2.33 1.57 -1.21 0.53 116.57 118.81 3d8u h LYS 313 Ca 0.40 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.23 3d8u h LYS 313 Cb 0.67 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 3d8u h LYS 313 CO -0.75 -0.39 0.27 -0.07 -0.57 0.00 0.00 179.45 177.94 3d8u h LEU 314 N -0.60 0.44 -0.47 2.94 3.38 0.07 -0.14 115.31 120.93 3d8u h LEU 314 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3d8u h LEU 314 Cb 0.62 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3d8u h LEU 314 CO -0.19 0.31 0.24 -0.07 0.09 0.00 0.00 178.44 178.82 3d8u h LEU 315 N 0.54 0.59 -1.48 1.67 4.07 0.23 0.51 115.31 121.44 3d8u h LEU 315 Ca 0.17 -0.11 0.08 0.00 0.08 0.00 0.00 57.88 58.11 3d8u h LEU 315 Cb -0.01 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.54 3d8u h LEU 315 CO -0.07 0.53 0.45 -0.74 -1.08 0.00 0.00 178.44 177.53 3d8u h HIS 316 N 0.61 0.63 0.02 1.13 2.76 0.36 -2.95 115.15 117.70 3d8u h HIS 316 Ca 0.16 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 3d8u h HIS 316 Cb 0.08 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.84 3d8u h HIS 316 CO -0.01 0.31 -0.01 0.00 -1.30 0.00 0.00 177.93 176.92 3d8u h ALA 317 N 1.65 -0.02 -1.00 5.26 0.00 0.12 -3.27 119.26 122.00 3d8u h ALA 317 Ca 0.30 -0.36 0.39 0.00 0.00 0.00 0.00 54.91 55.24 3d8u h ALA 317 Cb 0.40 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.02 3d8u h ALA 317 CO -0.10 -0.13 0.45 -0.84 0.00 0.00 0.00 179.25 178.64 3d8u h ILE 318 N -0.80 0.00 -2.67 0.00 3.07 0.16 -3.28 117.51 113.99 3d8u h ILE 318 Ca -0.00 -0.00 -0.13 0.00 1.55 0.00 0.00 64.86 66.28 3d8u h ILE 318 Cb 0.73 -0.00 -0.28 0.00 -0.27 0.00 0.00 36.82 37.01 3d8u h ILE 318 CO 0.00 0.00 -0.37 -1.59 -1.05 0.00 0.00 178.15 175.15 3d8u s LYS 319 N -5.61 0.32 0.00 0.16 -2.85 -1.25 -5.03 119.74 105.48 3d8u s LYS 319 Ca -0.10 0.84 0.00 0.00 -1.00 0.00 0.00 55.97 55.71 3d8u s LYS 319 Cb 0.33 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 3d8u s LYS 319 CO 0.78 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 176.44 3d8u n GLY 320 N 4.75 0.79 0.00 0.59 0.00 -1.23 -4.75 105.19 105.34 3d8u n GLY 320 Ca -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.78 3d8u n GLY 320 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3d8u n GLU 321 N -0.54 0.00 -0.46 1.61 0.28 -1.26 -4.78 120.64 115.50 3d8u n GLU 321 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3d8u n GLU 321 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3d8u n GLU 321 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3d8u n SER 328 N 0.00 -0.82 0.00 -1.84 3.41 -1.16 -4.87 113.62 108.35 3d8u n SER 328 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3d8u n SER 328 Cb 0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 3d8u n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d8u n GLY 330 N 1.49 4.12 3.64 5.00 0.00 -1.26 -5.10 105.19 113.08 3d8u n GLY 330 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 3d8u n GLY 330 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d8u s PHE 331 N -1.91 -0.73 0.32 1.61 -0.71 -1.26 -4.75 117.98 110.55 3d8u s PHE 331 Ca 0.00 1.66 -0.27 0.00 -1.04 0.00 0.00 56.93 57.27 3d8u s PHE 331 Cb 0.00 0.38 -0.09 0.00 -1.21 0.00 0.00 43.02 42.10 3d8u s PHE 331 CO 0.00 -0.36 1.08 -1.59 -1.34 0.00 0.00 175.22 173.01 3d8u s LYS 332 N 0.71 4.46 -0.72 1.99 0.00 -1.09 -4.87 119.74 120.22 3d8u s LYS 332 Ca -0.02 1.69 -0.06 0.00 0.00 0.00 0.00 55.97 57.58 3d8u s LYS 332 Cb -0.05 -2.95 0.19 0.00 0.00 0.00 0.00 37.83 35.02 3d8u s LYS 332 CO -0.07 0.08 0.58 -1.17 0.00 0.00 0.00 175.35 174.77 3d8u s LEU 333 N -1.90 5.74 -0.52 2.77 1.98 -1.26 -1.14 118.68 124.35 3d8u s LEU 333 Ca 0.49 -2.91 -0.27 0.00 -2.89 0.00 0.00 54.13 48.55 3d8u s LEU 333 Cb -0.28 -1.97 -0.09 0.00 0.66 0.00 0.00 46.19 44.51 3d8u s LEU 333 CO 0.36 -0.41 2.43 0.29 -1.89 0.00 0.00 176.35 177.13 3d8u n LYS 334 N 3.50 1.00 -2.17 1.98 4.76 -0.39 -4.91 118.16 121.92 3d8u n LYS 334 Ca 0.11 0.05 -0.43 0.00 -2.87 0.00 0.00 58.31 55.17 3d8u n LYS 334 Cb 0.40 -3.18 -0.02 0.00 -1.84 0.00 0.00 35.03 30.39 3d8u n LYS 334 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3d8u s ARG 335 N 8.14 3.94 0.00 1.97 0.52 -1.26 -2.65 118.95 129.61 3d8u s ARG 335 Ca 1.03 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 57.95 3d8u s ARG 335 Cb -0.33 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.16 3d8u s ARG 335 CO 0.30 -1.12 0.00 0.54 0.02 0.00 0.00 175.30 175.05 3d8u n ARG 336 N 7.38 1.41 -0.08 3.54 1.74 -1.26 -5.01 116.66 124.39 3d8u n ARG 336 Ca 0.17 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.14 3d8u n ARG 336 Cb 0.45 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.85 3d8u n ARG 336 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d8u h ALA 337 N 1.00 0.32 0.00 7.54 0.00 -1.89 -3.18 119.26 123.05 3d8u h ALA 337 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3d8u h ALA 337 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3d8u h ALA 337 CO 0.00 -0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 3d8u n SER 338 N -4.70 0.00 -3.68 0.00 3.41 -1.18 -4.04 113.62 103.43 3d8u n SER 338 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.47 3d8u n SER 338 Cb 0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.04 3d8u n SER 338 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3d8u s THR 339 N -1.40 -0.31 0.00 6.66 -4.23 -1.20 -2.23 115.64 112.93 3d8u s THR 339 Ca 0.00 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 3d8u s THR 339 Cb 0.00 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.26 3d8u s THR 339 CO 0.00 0.06 0.00 0.00 -0.54 0.00 0.00 174.62 174.14