#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a4h s ALA 54 N 0.00 3.41 0.03 3.04 0.00 -1.26 -5.05 121.76 121.94 2a4h s ALA 54 Ca 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.89 2a4h s ALA 54 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 2a4h s ALA 54 CO 0.00 -1.53 -0.15 -1.54 0.00 0.00 0.00 175.76 172.55 2a4h s SER 55 N 1.88 1.73 0.06 0.00 1.04 -1.26 -5.04 113.70 112.11 2a4h s SER 55 Ca 0.21 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2a4h s SER 55 Cb -0.15 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.85 2a4h s SER 55 CO 0.16 0.06 0.00 0.00 0.98 0.00 0.00 173.24 174.44 2a4h n HIS 56 N 2.01 -0.49 0.00 5.02 -0.00 -1.26 -5.11 115.22 115.39 2a4h n HIS 56 Ca -0.17 0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2a4h n HIS 56 Cb 0.55 0.38 0.00 0.00 -0.00 0.00 0.00 29.99 30.91 2a4h n HIS 56 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2a4h n HIS 57 N -2.86 0.00 0.30 -1.40 -0.00 -1.26 -5.05 115.22 104.95 2a4h n HIS 57 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 2a4h n HIS 57 Cb 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.99 2a4h n HIS 57 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2a4h n HIS 58 N 0.00 0.00 -1.70 -1.40 8.25 -1.26 -4.99 115.22 114.12 2a4h n HIS 58 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 2a4h n HIS 58 Cb 0.00 -0.19 -0.05 0.00 1.12 0.00 0.00 29.99 30.86 2a4h n HIS 58 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2a4h n HIS 59 N -1.72 -0.21 -3.65 4.41 -0.00 -1.26 -4.93 115.22 107.85 2a4h n HIS 59 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 2a4h n HIS 59 Cb 0.32 -2.95 -0.06 0.00 -0.00 0.00 0.00 29.99 27.30 2a4h n HIS 59 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2a4h s HIS 60 N -2.66 -0.22 0.47 4.41 -3.43 -1.26 -5.10 115.29 107.50 2a4h s HIS 60 Ca 0.00 0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.72 2a4h s HIS 60 Cb 0.00 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.37 2a4h s HIS 60 CO 0.00 -0.11 0.00 0.72 -2.00 0.00 0.00 174.74 173.35 2a4h n HIS 61 N 2.90 -3.80 -3.94 0.38 -0.00 -1.26 -5.10 115.22 104.40 2a4h n HIS 61 Ca -0.16 2.03 0.01 0.00 -0.00 0.00 0.00 57.72 59.61 2a4h n HIS 61 Cb 0.57 -3.19 0.01 0.00 -0.00 0.00 0.00 29.99 27.37 2a4h n HIS 61 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 2a4h n LEU 62 N -1.37 0.00 0.08 2.41 -0.00 -1.26 -4.89 117.00 111.96 2a4h n LEU 62 Ca 0.00 -0.46 -0.13 0.00 -0.00 0.00 0.00 56.01 55.43 2a4h n LEU 62 Cb 0.12 1.57 -0.06 0.00 -0.00 0.00 0.00 43.42 45.06 2a4h n LEU 62 CO 0.00 -0.15 0.63 0.44 -0.00 0.00 0.00 177.39 178.31 2a4h h ASP 63 N 1.55 -1.02 0.00 1.45 5.19 -2.07 -3.26 116.42 118.26 2a4h h ASP 63 Ca -0.17 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2a4h h ASP 63 Cb 0.92 0.40 0.00 0.00 0.18 0.00 0.00 39.33 40.83 2a4h h ASP 63 CO 0.25 -0.41 0.00 0.00 -3.12 0.00 0.00 179.24 175.96 2a4h n GLN 64 N -5.43 0.00 -1.62 3.56 6.02 -1.26 -5.01 117.38 113.65 2a4h n GLN 64 Ca -0.06 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 2a4h n GLN 64 Cb 0.34 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.43 2a4h n GLN 64 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2a4h n GLN 65 N -1.26 -4.61 -2.10 -1.09 7.27 -1.23 -4.79 117.38 109.57 2a4h n GLN 65 Ca 0.00 3.38 -0.42 0.00 0.07 0.00 0.00 57.00 60.03 2a4h n GLN 65 Cb 0.00 -3.77 -0.03 0.00 2.41 0.00 0.00 30.24 28.85 2a4h n GLN 65 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2a4h s PRO 66 N -3.16 4.19 0.41 3.69 0.04 -1.26 -4.67 135.00 134.24 2a4h s PRO 66 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2a4h s PRO 66 Cb 0.00 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 2a4h s PRO 66 CO 0.00 -0.82 0.00 0.00 0.04 0.00 0.00 177.00 176.22 2a4h n ALA 67 N 7.03 0.27 -0.08 8.56 0.00 -1.26 -4.77 120.51 130.25 2a4h n ALA 67 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 2a4h n ALA 67 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 2a4h n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a4h n ALA 68 N -3.35 1.59 -2.68 0.00 0.00 -1.26 -4.75 120.51 110.05 2a4h n ALA 68 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 2a4h n ALA 68 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 2a4h n ALA 68 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2a4h s GLN 69 N -2.49 4.36 -0.78 0.00 0.00 -1.26 -4.94 119.66 114.55 2a4h s GLN 69 Ca -0.26 1.32 -0.04 0.00 -0.00 0.00 0.00 55.36 56.38 2a4h s GLN 69 Cb 0.08 -3.57 0.11 0.00 0.00 0.00 0.00 33.01 29.63 2a4h s GLN 69 CO 0.34 -0.39 2.55 2.89 0.00 0.00 0.00 175.29 180.68 2a4h n ARG 70 N 5.34 3.27 -0.91 9.60 1.85 -1.26 -4.85 116.66 129.69 2a4h n ARG 70 Ca 0.09 -2.90 -0.36 0.00 -1.00 0.00 0.00 57.85 53.67 2a4h n ARG 70 Cb 0.48 -2.32 0.07 0.00 -1.05 0.00 0.00 32.46 29.64 2a4h n ARG 70 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2a4h n THR 71 N 0.98 0.00 -4.23 8.89 -2.24 -1.26 -5.00 114.28 111.42 2a4h n THR 71 Ca 0.53 -0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.88 2a4h n THR 71 Cb 0.42 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 2a4h n THR 71 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2a4h n TYR 72 N -3.45 0.13 -0.11 4.78 4.02 0.41 -4.96 117.16 117.98 2a4h n TYR 72 Ca -0.01 -1.91 -0.21 0.00 -0.01 0.00 0.00 57.90 55.77 2a4h n TYR 72 Cb 0.66 -0.31 -0.08 0.00 -0.02 0.00 0.00 39.34 39.59 2a4h n TYR 72 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2a4h n ALA 73 N -1.90 0.91 -2.14 -0.72 0.00 -1.25 -4.36 120.51 111.04 2a4h n ALA 73 Ca -0.15 -0.76 -0.09 0.00 0.00 0.00 0.00 53.44 52.44 2a4h n ALA 73 Cb 0.50 -0.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 2a4h n ALA 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2a4h s LYS 74 N -2.47 0.81 -0.28 0.00 2.20 -0.82 -4.43 119.74 114.74 2a4h s LYS 74 Ca -0.31 -1.35 -0.24 0.00 -0.36 0.00 0.00 55.97 53.72 2a4h s LYS 74 Cb 0.09 0.09 0.09 0.00 -1.51 0.00 0.00 37.83 36.58 2a4h s LYS 74 CO 0.48 -0.14 0.81 0.00 -0.36 0.00 0.00 175.35 176.14 2a4h s ALA 75 N -3.87 -1.87 -0.03 3.13 0.00 0.38 0.10 121.76 119.60 2a4h s ALA 75 Ca 0.15 2.04 0.03 0.00 0.00 0.00 0.00 51.96 54.19 2a4h s ALA 75 Cb 0.07 -1.30 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 2a4h s ALA 75 CO -0.04 -0.32 -0.12 0.42 0.00 0.00 0.00 175.76 175.70 2a4h s ILE 76 N 0.53 1.03 -0.69 0.00 1.01 0.42 -0.82 121.20 122.68 2a4h s ILE 76 Ca -0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 2a4h s ILE 76 Cb -0.05 -0.90 0.18 0.00 0.01 0.00 0.00 42.46 41.70 2a4h s ILE 76 CO -0.04 0.31 0.55 -0.22 0.00 0.00 0.00 174.94 175.53 2a4h s LEU 77 N 0.08 5.73 -0.76 2.97 2.96 -1.26 -0.23 118.68 128.17 2a4h s LEU 77 Ca -0.02 -2.81 -0.26 0.00 -0.22 0.00 0.00 54.13 50.82 2a4h s LEU 77 Cb -0.09 -1.97 0.04 0.00 0.50 0.00 0.00 46.19 44.66 2a4h s LEU 77 CO 0.01 -0.43 1.27 -1.61 -1.32 0.00 0.00 176.35 174.27 2a4h s GLU 78 N 0.00 3.22 0.51 1.98 2.02 -1.02 -1.47 118.70 123.94 2a4h s GLU 78 Ca 0.17 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 54.82 2a4h s GLU 78 Cb -0.17 -4.29 -0.01 0.00 0.10 0.00 0.00 34.13 29.76 2a4h s GLU 78 CO -0.05 -2.13 0.08 0.14 0.02 0.00 0.00 175.26 173.32 2a4h s VAL 79 N 5.54 1.36 0.00 2.63 -7.23 -0.38 -3.04 120.40 119.28 2a4h s VAL 79 Ca 0.35 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2a4h s VAL 79 Cb -0.08 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2a4h s VAL 79 CO 0.12 0.00 0.58 0.00 -0.31 0.00 0.00 175.10 175.49 2a4h n THR 81 N 0.00 0.00 0.14 0.00 -2.24 -1.26 -4.77 114.28 106.15 2a4h n THR 81 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2a4h n THR 81 Cb 0.55 -1.32 0.10 0.00 -2.10 0.00 0.00 70.33 67.56 2a4h n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4h n LYS 83 N -3.41 1.84 -0.25 0.00 0.00 -1.26 -4.33 118.16 110.76 2a4h n LYS 83 Ca 0.01 -0.80 0.32 0.00 -0.00 0.00 0.00 58.31 57.84 2a4h n LYS 83 Cb 0.70 -1.51 0.69 0.00 -0.00 0.00 0.00 35.03 34.90 2a4h n LYS 83 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2a4h h PHE 84 N 1.10 0.00 0.02 5.58 3.57 -1.81 0.45 116.94 125.85 2a4h h PHE 84 Ca 0.00 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.14 2a4h h PHE 84 Cb 0.68 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 2a4h h PHE 84 CO 0.24 0.00 -2.02 -2.13 -2.23 0.00 0.00 178.31 172.16 2a4h n ARG 85 N -3.81 0.61 0.15 1.11 3.00 -1.26 -3.91 116.66 112.56 2a4h n ARG 85 Ca 0.23 0.36 -0.06 0.00 -0.00 0.00 0.00 57.85 58.37 2a4h n ARG 85 Cb 1.27 -1.61 -0.03 0.00 0.00 0.00 0.00 32.46 32.08 2a4h n ARG 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a4h h ALA 86 N -0.54 -0.70 -1.90 5.13 0.00 -1.38 -3.37 119.26 116.50 2a4h h ALA 86 Ca -0.53 -0.09 -0.68 0.00 0.00 0.00 0.00 54.91 53.61 2a4h h ALA 86 Cb 1.61 0.16 -0.36 0.00 0.00 0.00 0.00 17.79 19.20 2a4h h ALA 86 CO -0.24 -0.67 0.04 0.66 0.00 0.00 0.00 179.25 179.04 2a4h n TYR 87 N -3.69 3.44 0.27 0.00 4.01 0.14 -4.83 117.16 116.50 2a4h n TYR 87 Ca -0.05 -3.42 0.14 0.00 -0.16 0.00 0.00 57.90 54.40 2a4h n TYR 87 Cb 0.16 -0.79 0.66 0.00 -0.31 0.00 0.00 39.34 39.06 2a4h n TYR 87 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2a4h h PRO 88 N 3.72 0.00 0.07 -0.72 0.13 -1.65 -2.40 132.00 131.14 2a4h h PRO 88 Ca 0.28 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.16 2a4h h PRO 88 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2a4h h PRO 88 CO 0.98 0.00 -1.09 -0.56 -0.23 0.00 0.00 178.00 177.10 2a4h h GLN 89 N 0.00 0.31 0.00 0.86 3.07 -1.90 -3.11 115.11 114.34 2a4h h GLN 89 Ca 0.00 -0.42 0.00 0.00 0.09 0.00 0.00 58.65 58.32 2a4h h GLN 89 Cb 0.16 0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.86 2a4h h GLN 89 CO 0.00 1.15 0.00 -0.89 0.09 0.00 0.00 178.83 179.18 2a4h n ILE 90 N -3.62 0.00 -0.06 1.86 5.41 -0.90 -1.59 119.36 120.46 2a4h n ILE 90 Ca -0.07 1.14 0.25 0.00 1.00 0.00 0.00 62.75 65.07 2a4h n ILE 90 Cb 0.93 -1.95 0.66 0.00 -0.71 0.00 0.00 39.64 38.58 2a4h n ILE 90 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2a4h h GLN 91 N 0.00 0.00 -0.05 0.38 4.15 -1.74 -0.37 115.11 117.48 2a4h h GLN 91 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.45 2a4h h GLN 91 Cb 0.00 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 2a4h h GLN 91 CO 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 178.83 176.47 2a4h h ALA 92 N 1.20 -0.67 -0.33 3.38 0.00 -1.22 1.22 119.26 122.85 2a4h h ALA 92 Ca 0.34 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.29 2a4h h ALA 92 Cb 1.81 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 20.37 2a4h h ALA 92 CO -0.00 -0.96 0.23 0.27 0.00 0.00 0.00 179.25 178.78 2a4h h PHE 93 N -0.55 0.13 -0.27 0.00 -5.15 -0.64 0.62 116.94 111.07 2a4h h PHE 93 Ca 0.05 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.73 2a4h h PHE 93 Cb 0.65 -0.04 -0.00 0.00 0.22 0.00 0.00 35.95 36.77 2a4h h PHE 93 CO -0.46 0.07 -0.23 0.82 -2.00 0.00 0.00 178.31 176.51 2a4h h ILE 94 N 0.13 1.31 0.00 0.88 2.04 -0.60 -2.74 117.51 118.53 2a4h h ILE 94 Ca 0.15 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 2a4h h ILE 94 Cb 0.43 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2a4h h ILE 94 CO -0.02 0.44 -0.07 1.56 0.00 0.00 0.00 178.15 180.06 2a4h h GLN 95 N 0.36 0.00 -0.64 2.37 4.20 0.35 -2.25 115.11 119.50 2a4h h GLN 95 Ca 0.05 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.80 2a4h h GLN 95 Cb 0.78 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.52 2a4h h GLN 95 CO 0.06 0.07 0.37 1.03 -0.67 0.00 0.00 178.83 179.69 2a4h h SER 96 N 0.00 0.59 0.00 1.46 0.87 -0.75 -3.47 113.55 112.25 2a4h h SER 96 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2a4h h SER 96 Cb 0.14 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2a4h h SER 96 CO 0.01 0.40 0.00 0.61 -0.53 0.00 0.00 176.83 177.32 2a4h n GLY 97 N -1.28 0.68 0.20 5.77 0.00 -0.85 -5.00 105.19 104.71 2a4h n GLY 97 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 2a4h n GLY 97 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2a4h h ARG 98 N 2.78 0.61 0.00 1.61 -0.00 -1.81 -2.79 114.38 114.78 2a4h h ARG 98 Ca 0.00 -0.20 0.00 0.00 -0.50 0.00 0.00 59.98 59.28 2a4h h ARG 98 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 29.92 2a4h h ARG 98 CO 0.00 0.74 0.00 -1.35 0.00 0.00 0.00 179.97 179.36 2a4h h PRO 99 N 0.42 0.00 -0.28 0.04 0.11 -1.86 -2.17 132.00 128.26 2a4h h PRO 99 Ca 0.10 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.10 2a4h h PRO 99 Cb 0.47 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2a4h h PRO 99 CO 0.02 0.00 -0.29 0.00 -0.21 0.00 0.00 178.00 177.51 2a4h h ALA 100 N 2.03 0.98 0.00 -0.75 0.00 -1.82 -2.48 119.26 117.21 2a4h h ALA 100 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2a4h h ALA 100 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2a4h h ALA 100 CO 0.00 0.60 -0.10 0.87 0.00 0.00 0.00 179.25 180.62 2a4h h LYS 101 N 0.49 0.00 -6.55 0.00 1.57 -1.43 -3.41 116.57 107.24 2a4h h LYS 101 Ca 0.06 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.28 2a4h h LYS 101 Cb 0.76 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.01 2a4h h LYS 101 CO 0.06 0.10 1.05 -0.06 -0.57 0.00 0.00 179.45 180.03 2a4h s PHE 102 N -4.16 2.45 0.31 -1.35 0.08 -0.94 -4.89 117.98 109.48 2a4h s PHE 102 Ca -0.03 0.65 0.12 0.00 0.12 0.00 0.00 56.93 57.79 2a4h s PHE 102 Cb 0.13 -4.35 0.52 0.00 -0.57 0.00 0.00 43.02 38.75 2a4h s PHE 102 CO 0.57 -1.87 1.71 -1.00 -0.10 0.00 0.00 175.22 174.53 2a4h h PRO 103 N 10.54 0.00 -0.53 0.24 0.13 -1.86 -2.86 132.00 137.66 2a4h h PRO 103 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2a4h h PRO 103 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2a4h h PRO 103 CO 1.11 0.51 0.00 0.09 -0.23 0.00 0.00 178.00 179.47 2a4h n ASN 104 N -3.90 1.90 -4.07 1.44 4.13 -1.26 -4.81 115.26 108.70 2a4h n ASN 104 Ca -0.01 -2.14 -0.24 0.00 1.68 0.00 0.00 54.58 53.86 2a4h n ASN 104 Cb 0.53 -0.35 -0.16 0.00 -1.54 0.00 0.00 39.78 38.26 2a4h n ASN 104 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2a4h s LEU 105 N -0.96 1.80 -0.09 3.41 2.96 -1.08 -0.47 118.68 124.25 2a4h s LEU 105 Ca 0.17 -0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 2a4h s LEU 105 Cb 0.11 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.97 2a4h s LEU 105 CO 0.09 0.09 -0.11 -0.61 -1.32 0.00 0.00 176.35 174.49 2a4h h GLN 106 N 6.49 0.00 -3.42 1.98 5.75 -1.27 -3.47 115.11 121.17 2a4h h GLN 106 Ca -0.32 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.07 2a4h h GLN 106 Cb 1.18 0.00 0.06 0.00 1.07 0.00 0.00 27.48 29.79 2a4h h GLN 106 CO 0.48 0.00 -0.27 -0.89 -2.65 0.00 0.00 178.83 175.50 2a4h n ILE 107 N -3.77 -2.58 -1.78 2.39 2.08 -1.26 -4.89 119.36 109.56 2a4h n ILE 107 Ca -0.04 -0.26 -0.32 0.00 0.56 0.00 0.00 62.75 62.69 2a4h n ILE 107 Cb 0.16 -3.61 0.03 0.00 -0.75 0.00 0.00 39.64 35.47 2a4h n ILE 107 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2a4h s LYS 108 N -4.16 3.17 -0.69 0.38 2.20 -0.54 -4.90 119.74 115.20 2a4h s LYS 108 Ca 0.05 1.00 0.03 0.00 -0.36 0.00 0.00 55.97 56.69 2a4h s LYS 108 Cb -0.01 -2.02 0.35 0.00 -1.51 0.00 0.00 37.83 34.65 2a4h s LYS 108 CO 0.25 -0.92 1.30 0.66 -0.36 0.00 0.00 175.35 176.28 2a4h n TYR 109 N -2.70 3.53 -0.59 4.03 4.01 -1.24 -1.24 117.16 122.96 2a4h n TYR 109 Ca 0.08 -3.32 -0.19 0.00 -0.16 0.00 0.00 57.90 54.30 2a4h n TYR 109 Cb 0.53 -0.65 0.01 0.00 -0.31 0.00 0.00 39.34 38.93 2a4h n TYR 109 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 2a4h n VAL 110 N -0.28 0.00 -0.34 -0.72 3.14 0.51 -4.66 118.33 115.98 2a4h n VAL 110 Ca 0.39 -0.25 0.04 0.00 -2.96 0.00 0.00 64.34 61.55 2a4h n VAL 110 Cb 0.40 0.00 0.12 0.00 -1.06 0.00 0.00 33.84 33.29 2a4h n VAL 110 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 2a4h h ARG 111 N -0.17 -0.00 0.00 1.45 2.47 -1.97 -3.39 114.38 112.76 2a4h h ARG 111 Ca -0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 2a4h h ARG 111 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 2a4h h ARG 111 CO 0.18 -0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.12 2a4h n GLY 112 N -1.58 -1.93 0.00 0.04 0.00 -1.26 -4.96 105.19 95.49 2a4h n GLY 112 Ca 0.14 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.07 2a4h n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2a4h n LEU 113 N 0.00 0.00 -4.87 0.99 4.77 -1.26 -5.04 117.00 111.59 2a4h n LEU 113 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 2a4h n LEU 113 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2a4h n LEU 113 CO 0.00 0.00 0.13 1.51 -1.33 0.00 0.00 177.39 177.70 2a4h s ASP 114 N -0.35 6.64 -0.17 -1.43 -4.77 -1.26 -4.28 116.67 111.05 2a4h s ASP 114 Ca 0.00 0.83 -0.29 0.00 -3.30 0.00 0.00 52.55 49.80 2a4h s ASP 114 Cb 0.00 -2.19 -0.05 0.00 -1.09 0.00 0.00 42.92 39.59 2a4h s ASP 114 CO 0.00 0.06 2.03 -2.84 0.70 0.00 0.00 175.17 175.12 2a4h s PRO 115 N -2.34 3.50 -0.02 2.11 0.02 -1.26 -4.60 135.00 132.41 2a4h s PRO 115 Ca 0.40 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.49 2a4h s PRO 115 Cb -0.13 -4.26 0.01 0.00 0.02 0.00 0.00 34.50 30.14 2a4h s PRO 115 CO 0.21 -1.68 -0.05 0.08 -0.33 0.00 0.00 177.00 175.23 2a4h s VAL 116 N 6.77 0.46 -0.20 3.83 1.01 -1.17 -0.11 120.40 130.99 2a4h s VAL 116 Ca 0.91 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.52 2a4h s VAL 116 Cb -0.33 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2a4h s VAL 116 CO 0.36 0.16 0.57 0.68 0.00 0.00 0.00 175.10 176.87 2a4h s VAL 117 N 0.30 5.06 -0.04 2.92 -7.23 0.39 -2.43 120.40 119.37 2a4h s VAL 117 Ca -0.03 1.07 0.04 0.00 -1.81 0.00 0.00 61.98 61.25 2a4h s VAL 117 Cb -0.07 -3.89 -0.00 0.00 0.56 0.00 0.00 36.38 32.97 2a4h s VAL 117 CO -0.00 0.15 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.23 2a4h s LYS 118 N 1.75 1.71 -0.53 4.82 1.02 0.67 -0.83 119.74 128.35 2a4h s LYS 118 Ca 0.26 -0.58 0.01 0.00 0.02 0.00 0.00 55.97 55.69 2a4h s LYS 118 Cb -0.16 -1.49 0.14 0.00 -0.52 0.00 0.00 37.83 35.80 2a4h s LYS 118 CO 0.10 0.22 0.30 -0.51 -0.92 0.00 0.00 175.35 174.54 2a4h s LEU 119 N 0.07 4.70 0.00 3.17 1.02 -1.17 0.16 118.68 126.63 2a4h s LEU 119 Ca -0.04 -2.84 -0.09 0.00 0.02 0.00 0.00 54.13 51.18 2a4h s LEU 119 Cb -0.11 -1.72 0.13 0.00 0.02 0.00 0.00 46.19 44.51 2a4h s LEU 119 CO 0.02 -0.30 0.76 0.18 0.02 0.00 0.00 176.35 177.03 2a4h n LEU 120 N 3.40 0.00 -0.09 1.79 4.32 0.29 0.17 117.00 126.88 2a4h n LEU 120 Ca 0.06 -0.88 -0.17 0.00 -0.02 0.00 0.00 56.01 55.00 2a4h n LEU 120 Cb 0.35 -0.58 -0.06 0.00 -1.62 0.00 0.00 43.42 41.52 2a4h n LEU 120 CO 0.33 -1.03 -1.00 -0.67 -1.22 0.00 0.00 177.39 173.80 2a4h n ASP 121 N -3.46 1.44 0.00 -1.43 2.03 -1.26 -1.95 116.55 111.92 2a4h n ASP 121 Ca 0.10 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.65 2a4h n ASP 121 Cb 0.34 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 2a4h n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a4h n ALA 122 N -3.94 0.00 -0.03 -1.67 0.00 -1.26 -3.88 120.51 109.73 2a4h n ALA 122 Ca -0.31 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 2a4h n ALA 122 Cb 0.67 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.99 2a4h n ALA 122 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2a4h h SER 123 N 0.00 0.26 0.00 0.00 0.02 -2.03 -3.48 113.55 108.32 2a4h h SER 123 Ca 0.00 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 2a4h h SER 123 Cb 0.00 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2a4h h SER 123 CO 0.00 1.62 0.00 0.61 -1.14 0.00 0.00 176.83 177.92 2a4h n GLY 124 N 1.71 0.00 0.07 -3.77 0.00 -1.26 -5.07 105.19 96.86 2a4h n GLY 124 Ca -0.28 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2a4h n GLY 124 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2a4h h LYS 125 N 0.00 0.00 -3.92 1.61 1.63 -1.93 -3.49 116.57 110.47 2a4h h LYS 125 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2a4h h LYS 125 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2a4h h LYS 125 CO 0.00 0.75 -0.05 0.28 -3.45 0.00 0.00 179.45 176.99 2a4h n VAL 126 N -4.61 -4.83 -0.07 2.00 0.31 -1.26 -4.93 118.33 104.93 2a4h n VAL 126 Ca -0.12 0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.15 2a4h n VAL 126 Cb 0.41 -4.95 -0.01 0.00 -0.91 0.00 0.00 33.84 28.37 2a4h n VAL 126 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2a4h h GLN 127 N 0.32 -0.23 -5.45 5.55 1.08 0.15 -3.44 115.11 113.10 2a4h h GLN 127 Ca 0.00 0.02 -0.65 0.00 -1.45 0.00 0.00 58.65 56.57 2a4h h GLN 127 Cb 0.85 0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 28.23 2a4h h GLN 127 CO 0.11 -0.15 -0.45 -1.21 -0.95 0.00 0.00 178.83 176.17 2a4h s GLU 128 N -6.07 2.21 -0.30 1.46 2.02 -1.13 -4.93 118.70 111.95 2a4h s GLU 128 Ca -0.15 -2.27 -0.15 0.00 0.02 0.00 0.00 54.97 52.43 2a4h s GLU 128 Cb 0.13 -1.72 0.18 0.00 0.10 0.00 0.00 34.13 32.82 2a4h s GLU 128 CO 0.68 -0.42 1.16 0.99 0.02 0.00 0.00 175.26 177.68 2a4h s THR 129 N -2.83 -0.07 -0.11 3.63 2.01 -1.18 -3.07 115.64 114.02 2a4h s THR 129 Ca 0.16 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.18 2a4h s THR 129 Cb 0.01 -0.06 0.01 0.00 0.01 0.00 0.00 72.50 72.47 2a4h s THR 129 CO 0.09 0.00 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.10 2a4h s LEU 130 N 2.86 1.80 -0.51 4.42 1.43 -0.01 -4.91 118.68 123.76 2a4h s LEU 130 Ca 0.30 -0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 52.67 2a4h s LEU 130 Cb 0.01 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 2a4h s LEU 130 CO -0.22 0.03 1.76 -0.55 0.23 0.00 0.00 176.35 177.60 2a4h s SER 131 N 0.91 5.63 -0.52 2.29 0.15 -1.26 -0.46 113.70 120.44 2a4h s SER 131 Ca -0.08 0.65 -0.03 0.00 0.70 0.00 0.00 55.95 57.19 2a4h s SER 131 Cb -0.15 -2.53 0.14 0.00 -1.71 0.00 0.00 66.02 61.77 2a4h s SER 131 CO -0.01 -2.03 2.55 2.30 1.20 0.00 0.00 173.24 177.25 2a4h n ILE 132 N 7.22 3.33 0.23 6.45 -5.35 0.85 -4.56 119.36 127.52 2a4h n ILE 132 Ca 0.20 -3.09 0.08 0.00 -0.27 0.00 0.00 62.75 59.66 2a4h n ILE 132 Cb 0.50 -1.49 0.53 0.00 -1.74 0.00 0.00 39.64 37.44 2a4h n ILE 132 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2a4h h THR 133 N 1.87 0.90 0.00 7.28 1.35 -1.90 -3.46 112.91 118.96 2a4h h THR 133 Ca 0.42 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2a4h h THR 133 Cb 0.62 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2a4h h THR 133 CO 0.99 0.22 0.00 2.29 -0.25 0.00 0.00 175.52 178.77 2a4h n LYS 134 N -3.88 0.00 0.00 4.72 2.85 -1.26 -4.69 118.16 115.90 2a4h n LYS 134 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 2a4h n LYS 134 Cb 0.32 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.70 2a4h n LYS 134 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2a4h n TRP 135 N 0.00 0.00 0.00 5.58 7.02 -1.26 -3.04 117.44 125.74 2a4h n TRP 135 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2a4h n TRP 135 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2a4h n TRP 135 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2a4h n ASN 136 N 0.20 0.00 -0.23 -0.99 6.94 -1.26 -5.16 115.26 114.76 2a4h n ASN 136 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2a4h n ASN 136 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2a4h n ASN 136 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 2a4h n THR 137 N 0.00 0.00 0.00 5.53 5.66 -1.17 -4.60 114.28 119.70 2a4h n THR 137 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2a4h n THR 137 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2a4h n THR 137 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2a4h n ASP 138 N -3.46 0.00 -0.09 1.09 8.00 -1.26 -3.13 116.55 117.69 2a4h n ASP 138 Ca 0.00 0.00 0.26 0.00 0.71 0.00 0.00 54.79 55.76 2a4h n ASP 138 Cb 0.00 0.00 0.69 0.00 -0.02 0.00 0.00 41.12 41.79 2a4h n ASP 138 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2a4h h THR 139 N 0.00 0.33 -0.56 -3.53 2.02 -2.00 0.68 112.91 109.85 2a4h h THR 139 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2a4h h THR 139 Cb 0.00 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 2a4h h THR 139 CO 0.00 0.00 0.37 1.62 0.37 0.00 0.00 175.52 177.88 2a4h h VAL 140 N 0.00 1.15 -0.98 3.16 3.04 -1.89 0.21 116.25 120.93 2a4h h VAL 140 Ca 0.36 -0.27 0.16 0.00 -1.01 0.00 0.00 66.70 65.93 2a4h h VAL 140 Cb 1.76 0.32 -0.09 0.00 -2.01 0.00 0.00 31.29 31.27 2a4h h VAL 140 CO -0.00 0.14 0.61 -0.08 -1.01 0.00 0.00 177.57 177.23 2a4h h GLU 141 N 0.76 0.80 -0.04 4.17 4.81 0.08 0.50 114.58 125.66 2a4h h GLU 141 Ca 0.20 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 2a4h h GLU 141 Cb -0.08 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2a4h h GLU 141 CO -0.04 0.53 -0.59 1.49 -0.73 0.00 0.00 179.01 179.67 2a4h h GLU 142 N 0.83 0.14 -0.91 1.92 4.81 -1.11 -3.06 114.58 117.20 2a4h h GLU 142 Ca 0.52 -0.09 0.23 0.00 -0.13 0.00 0.00 59.36 59.89 2a4h h GLU 142 Cb 0.72 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.99 2a4h h GLU 142 CO -0.29 0.69 0.39 0.35 -0.73 0.00 0.00 179.01 179.42 2a4h h PHE 143 N 0.11 0.65 0.08 0.92 3.57 0.31 0.17 116.94 122.74 2a4h h PHE 143 Ca -0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2a4h h PHE 143 Cb 1.07 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.67 2a4h h PHE 143 CO 0.01 -0.08 -0.04 0.74 -2.23 0.00 0.00 178.31 176.71 2a4h h PHE 144 N 0.37 -0.09 -1.13 0.41 0.04 -1.44 -1.95 116.94 113.14 2a4h h PHE 144 Ca 0.58 -0.00 0.33 0.00 2.80 0.00 0.00 57.97 61.68 2a4h h PHE 144 Cb 1.14 0.03 -0.05 0.00 2.20 0.00 0.00 35.95 39.28 2a4h h PHE 144 CO -0.14 -0.06 1.02 1.05 -0.60 0.00 0.00 178.31 179.58 2a4h h GLU 145 N -0.59 0.00 0.00 1.51 -0.00 -1.41 1.72 114.58 115.81 2a4h h GLU 145 Ca -0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.19 2a4h h GLU 145 Cb 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.80 2a4h h GLU 145 CO 0.02 0.00 -1.54 0.25 -0.00 0.00 0.00 179.01 177.74 2a4h n THR 146 N -3.69 1.05 1.00 -1.06 -2.24 0.56 -4.12 114.28 105.79 2a4h n THR 146 Ca 0.25 -0.68 0.10 0.00 -2.27 0.00 0.00 64.05 61.45 2a4h n THR 146 Cb 1.38 -0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 68.91 2a4h n THR 146 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2a4h n HIS 147 N -2.80 0.00 -3.18 4.78 8.25 0.43 -4.69 115.22 118.02 2a4h n HIS 147 Ca -0.11 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.17 2a4h n HIS 147 Cb 0.82 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.92 2a4h n HIS 147 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2a4h s LEU 148 N -2.94 3.55 0.09 2.41 1.43 0.48 0.16 118.68 123.86 2a4h s LEU 148 Ca 0.09 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2a4h s LEU 148 Cb 0.16 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 2a4h s LEU 148 CO 0.83 -0.76 -0.04 0.00 0.23 0.00 0.00 176.35 176.61 2a4h s ALA 149 N -2.40 0.84 -0.42 4.21 0.00 -1.26 -4.78 121.76 117.95 2a4h s ALA 149 Ca 0.53 -1.33 0.23 0.00 0.00 0.00 0.00 51.96 51.39 2a4h s ALA 149 Cb -0.08 0.29 0.27 0.00 0.00 0.00 0.00 23.12 23.60 2a4h s ALA 149 CO 0.32 -0.31 1.40 0.87 0.00 0.00 0.00 175.76 178.04 2a4h h LYS 150 N 3.00 0.00 0.27 0.00 1.79 -1.98 -3.37 116.57 116.29 2a4h h LYS 150 Ca -0.35 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 2a4h h LYS 150 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2a4h h LYS 150 CO 0.65 0.00 -0.13 0.22 -1.08 0.00 0.00 179.45 179.10 2a4h h ASP 151 N 0.00 -0.31 -2.05 0.86 1.82 -1.98 -3.50 116.42 111.26 2a4h h ASP 151 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 2a4h h ASP 151 Cb 0.95 0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.04 2a4h h ASP 151 CO 0.00 0.17 0.00 0.61 -1.61 0.00 0.00 179.24 178.41 2a4h n GLY 152 N 0.73 -1.79 1.44 -0.78 0.00 -1.26 -5.03 105.19 98.50 2a4h n GLY 152 Ca -0.06 -0.63 0.18 0.00 0.00 0.00 0.00 46.02 45.51 2a4h n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a4h n ALA 153 N 0.66 -3.78 -1.69 4.61 0.00 -1.26 -4.99 120.51 114.06 2a4h n ALA 153 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 53.44 54.16 2a4h n ALA 153 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 2a4h n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a4h n GLY 154 N -4.27 0.12 3.10 0.00 0.00 -1.26 -5.10 105.19 97.78 2a4h n GLY 154 Ca -0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2a4h n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a4h s LYS 155 N -3.08 0.55 -0.11 1.61 1.02 -1.26 -5.02 119.74 113.45 2a4h s LYS 155 Ca 0.03 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.32 2a4h s LYS 155 Cb -0.00 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 2a4h s LYS 155 CO 0.09 -0.13 -0.23 1.21 -0.92 0.00 0.00 175.35 175.36 2a4h s ASN 156 N -2.03 3.08 1.00 2.83 2.47 -1.26 -5.13 114.94 115.91 2a4h s ASN 156 Ca -0.06 -0.57 -0.06 0.00 0.42 0.00 0.00 52.86 52.59 2a4h s ASN 156 Cb -0.02 -1.41 0.09 0.00 -1.45 0.00 0.00 41.25 38.45 2a4h s ASN 156 CO -0.04 0.14 0.20 -1.20 -3.72 0.00 0.00 177.10 172.48 2a4h n SER 157 N 3.68 -2.31 -1.88 -4.21 7.64 -1.26 -4.84 113.62 110.44 2a4h n SER 157 Ca -0.19 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.48 2a4h n SER 157 Cb 0.53 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2a4h n SER 157 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2a4h n TYR 158 N -3.56 -4.04 0.00 1.43 4.02 -1.26 -5.06 117.16 108.69 2a4h n TYR 158 Ca 0.03 2.42 0.00 0.00 -0.01 0.00 0.00 57.90 60.35 2a4h n TYR 158 Cb 0.14 -3.43 0.00 0.00 -0.02 0.00 0.00 39.34 36.03 2a4h n TYR 158 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2a4h n SER 159 N 1.54 0.00 -4.26 7.72 7.64 -1.26 -4.96 113.62 120.04 2a4h n SER 159 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2a4h n SER 159 Cb 0.00 -0.01 0.14 0.00 -1.01 0.00 0.00 64.21 63.33 2a4h n SER 159 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2a4h n VAL 160 N -1.39 0.00 -3.80 0.44 0.24 -1.26 -5.00 118.33 107.55 2a4h n VAL 160 Ca 0.00 -1.33 -0.35 0.00 -2.04 0.00 0.00 64.34 60.62 2a4h n VAL 160 Cb 0.00 -1.11 -0.11 0.00 -1.47 0.00 0.00 33.84 31.15 2a4h n VAL 160 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2a4h s VAL 161 N -3.24 3.28 -0.03 3.34 1.01 -1.26 -4.82 120.40 118.68 2a4h s VAL 161 Ca 0.67 -2.81 0.05 0.00 0.00 0.00 0.00 61.98 59.89 2a4h s VAL 161 Cb -0.03 -3.20 0.07 0.00 0.00 0.00 0.00 36.38 33.22 2a4h s VAL 161 CO 0.45 -0.80 1.00 -0.62 0.00 0.00 0.00 175.10 175.13 2a4h n GLU 162 N 3.69 0.39 -3.02 2.72 1.02 -1.26 -5.08 120.64 119.10 2a4h n GLU 162 Ca 0.05 -1.36 -0.34 0.00 -0.02 0.00 0.00 57.16 55.49 2a4h n GLU 162 Cb 0.38 -0.76 -0.06 0.00 -0.02 0.00 0.00 31.44 30.97 2a4h n GLU 162 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2a4h s ASP 163 N -1.39 6.94 -0.07 1.62 -1.08 -1.26 -4.99 116.67 116.44 2a4h s ASP 163 Ca 0.08 1.46 0.10 0.00 -0.52 0.00 0.00 52.55 53.67 2a4h s ASP 163 Cb 0.07 -2.44 0.15 0.00 -1.46 0.00 0.00 42.92 39.24 2a4h s ASP 163 CO 0.01 -0.17 1.06 0.00 0.52 0.00 0.00 175.17 176.59 2a4h n ALA 164 N -0.07 2.09 -3.01 3.66 0.00 -1.26 -5.07 120.51 116.85 2a4h n ALA 164 Ca 0.03 -1.83 -0.23 0.00 0.00 0.00 0.00 53.44 51.41 2a4h n ALA 164 Cb 0.52 -0.39 0.07 0.00 0.00 0.00 0.00 19.45 19.65 2a4h n ALA 164 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2a4h n ASP 165 N -0.78 1.95 -0.13 0.00 9.92 -1.26 -5.05 116.55 121.19 2a4h n ASP 165 Ca 0.08 -2.43 0.05 0.00 -0.53 0.00 0.00 54.79 51.96 2a4h n ASP 165 Cb 0.63 -0.41 0.08 0.00 -0.64 0.00 0.00 41.12 40.78 2a4h n ASP 165 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a4h n GLY 166 N -1.70 3.73 3.77 0.44 0.00 -1.26 -5.05 105.19 105.12 2a4h n GLY 166 Ca 0.16 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2a4h n GLY 166 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a4h s ASP 167 N -1.74 6.45 -1.05 1.61 -1.08 -1.26 -4.85 116.67 114.75 2a4h s ASP 167 Ca 0.16 2.95 -0.24 0.00 -0.52 0.00 0.00 52.55 54.90 2a4h s ASP 167 Cb 0.13 -2.66 -0.09 0.00 -1.46 0.00 0.00 42.92 38.84 2a4h s ASP 167 CO 0.03 -0.80 1.98 1.51 0.52 0.00 0.00 175.17 178.41 2a4h s ASP 168 N -0.15 4.87 0.28 -0.34 -4.77 -1.26 -4.92 116.67 110.38 2a4h s ASP 168 Ca 0.53 -1.15 -0.29 0.00 -3.30 0.00 0.00 52.55 48.34 2a4h s ASP 168 Cb -0.45 -2.58 -0.14 0.00 -1.09 0.00 0.00 42.92 38.66 2a4h s ASP 168 CO 0.59 -3.15 1.06 -0.67 0.70 0.00 0.00 175.17 173.70 2a4h n ASP 169 N 14.94 1.47 -4.58 2.11 2.03 -1.26 -4.90 116.55 126.36 2a4h n ASP 169 Ca 0.43 1.18 -0.43 0.00 0.52 0.00 0.00 54.79 56.49 2a4h n ASP 169 Cb 0.46 -1.30 -0.05 0.00 -0.72 0.00 0.00 41.12 39.52 2a4h n ASP 169 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2a4h s GLU 170 N -1.42 3.70 -0.14 -0.67 8.01 -1.26 -4.90 118.70 122.01 2a4h s GLU 170 Ca 0.60 0.31 -0.12 0.00 0.01 0.00 0.00 54.97 55.77 2a4h s GLU 170 Cb -0.70 -3.84 -0.24 0.00 -4.31 0.00 0.00 34.13 25.03 2a4h s GLU 170 CO 0.59 -0.98 0.35 0.38 0.01 0.00 0.00 175.26 175.61 2a4h h ASP 171 N 8.64 0.30 0.00 -0.19 2.03 -2.01 -3.49 116.42 121.71 2a4h h ASP 171 Ca -0.24 -0.81 0.00 0.00 -0.73 0.00 0.00 57.03 55.24 2a4h h ASP 171 Cb 1.09 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 2a4h h ASP 171 CO 0.96 1.73 0.00 0.00 -1.03 0.00 0.00 179.24 180.90 2a4h n TYR 172 N -3.81 0.00 -0.00 4.15 9.36 -1.26 -5.06 117.16 120.54 2a4h n TYR 172 Ca -0.31 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 60.80 2a4h n TYR 172 Cb 0.93 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 39.50 2a4h n TYR 172 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2a4h h LEU 173 N 0.00 0.08 -0.00 2.98 3.38 -2.04 -3.39 115.31 116.33 2a4h h LEU 173 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2a4h h LEU 173 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2a4h h LEU 173 CO 0.00 1.14 -0.04 0.03 0.09 0.00 0.00 178.44 179.67 2a4h h ARG 174 N 0.01 -0.04 -1.92 1.13 2.47 -2.04 -3.47 114.38 110.52 2a4h h ARG 174 Ca -0.27 0.00 0.22 0.00 -1.26 0.00 0.00 59.98 58.67 2a4h h ARG 174 Cb 1.99 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 30.26 2a4h h ARG 174 CO 0.09 -0.03 -0.34 0.25 0.56 0.00 0.00 179.97 180.50 2a4h n THR 175 N -2.71 0.00 -3.79 2.04 -2.24 -1.26 -4.70 114.28 101.62 2a4h n THR 175 Ca -0.00 0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.47 2a4h n THR 175 Cb 0.03 -0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 67.79 2a4h n THR 175 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2a4h s ASN 176 N -4.63 4.94 -0.01 3.42 0.01 -1.26 -5.06 114.94 112.35 2a4h s ASN 176 Ca 0.00 -0.50 -0.36 0.00 -0.71 0.00 0.00 52.86 51.29 2a4h s ASN 176 Cb 0.00 -1.86 -0.15 0.00 0.41 0.00 0.00 41.25 39.65 2a4h s ASN 176 CO 0.00 -0.11 1.58 0.54 -1.51 0.00 0.00 177.10 177.60 2a4h n ARG 177 N 4.87 1.55 -0.41 -0.60 1.74 -1.26 -5.27 116.66 117.29 2a4h n ARG 177 Ca -0.16 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2a4h n ARG 177 Cb 0.50 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 2a4h n ARG 177 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22