#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 1.11 -0.29 -5.12 0.00 -1.26 -5.10 121.76 111.10 2a4h s ALA 54 Ca 0.00 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 2a4h s ALA 54 Cb 0.00 -1.33 0.17 0.00 0.00 0.00 0.00 23.12 21.96 2a4h s ALA 54 CO 0.00 -1.37 1.18 0.45 0.00 0.00 0.00 175.76 176.02 2a4h s SER 55 N 1.82 -0.26 0.00 0.00 0.15 -1.26 -5.06 113.70 109.09 2a4h s SER 55 Ca 0.03 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2a4h s SER 55 Cb -0.17 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2a4h s SER 55 CO -0.16 -0.08 0.00 1.57 1.20 0.00 0.00 173.24 175.77 2a4h n HIS 56 N 2.66 -0.26 0.00 3.44 -0.00 -1.26 -5.09 115.22 114.71 2a4h n HIS 56 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 2a4h n HIS 56 Cb 0.57 0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.61 2a4h n HIS 56 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2a4h n HIS 57 N -1.48 0.00 -3.34 1.57 -0.00 -1.26 -5.10 115.22 105.61 2a4h n HIS 57 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 2a4h n HIS 57 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.02 2a4h n HIS 57 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2a4h n HIS 58 N -0.56 -2.40 0.00 1.57 -0.00 -1.26 -4.98 115.22 107.60 2a4h n HIS 58 Ca 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.72 2a4h n HIS 58 Cb 0.00 -2.05 0.00 0.00 -0.00 0.00 0.00 29.99 27.94 2a4h n HIS 58 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2a4h n HIS 59 N 0.09 -0.02 0.03 -1.40 -0.00 -1.26 -4.88 115.22 107.78 2a4h n HIS 59 Ca -0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.64 2a4h n HIS 59 Cb 0.60 0.05 -0.10 0.00 -0.00 0.00 0.00 29.99 30.53 2a4h n HIS 59 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2a4h h HIS 60 N 0.00 0.00 -4.11 1.57 2.76 -2.04 -3.44 115.15 109.89 2a4h h HIS 60 Ca 0.00 0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.67 2a4h h HIS 60 Cb 0.00 0.00 0.16 0.00 1.55 0.00 0.00 27.41 29.12 2a4h h HIS 60 CO 0.00 0.83 0.23 -1.01 -1.30 0.00 0.00 177.93 176.68 2a4h s HIS 61 N -2.75 2.07 0.00 5.26 3.76 -1.26 -3.69 115.29 118.67 2a4h s HIS 61 Ca -0.02 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 2a4h s HIS 61 Cb 0.09 -3.17 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2a4h s HIS 61 CO 0.81 -2.52 0.00 -0.11 -0.85 0.00 0.00 174.74 172.07 2a4h n LEU 62 N -4.01 0.00 -2.50 0.89 -0.00 -1.26 -4.70 117.00 105.42 2a4h n LEU 62 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.09 2a4h n LEU 62 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 2a4h n LEU 62 CO 0.53 0.00 -0.37 0.47 -0.00 0.00 0.00 177.39 178.02 2a4h n ASP 63 N 2.39 -6.93 -0.04 1.96 9.92 -1.24 -4.99 116.55 117.62 2a4h n ASP 63 Ca 0.00 1.13 0.01 0.00 -0.53 0.00 0.00 54.79 55.40 2a4h n ASP 63 Cb 0.00 -4.56 -0.12 0.00 -0.64 0.00 0.00 41.12 35.80 2a4h n ASP 63 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2a4h n GLN 64 N 0.51 0.96 -1.60 -1.24 -0.06 -1.26 -5.00 117.38 109.69 2a4h n GLN 64 Ca 0.01 -0.09 -0.46 0.00 -2.00 0.00 0.00 57.00 54.46 2a4h n GLN 64 Cb 0.03 -1.38 -0.02 0.00 -4.06 0.00 0.00 30.24 24.80 2a4h n GLN 64 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 2a4h n GLN 65 N -2.27 1.38 -0.93 3.69 7.27 -1.26 -4.76 117.38 120.49 2a4h n GLN 65 Ca -0.12 0.49 -0.36 0.00 0.07 0.00 0.00 57.00 57.07 2a4h n GLN 65 Cb 0.67 -1.93 -0.05 0.00 2.41 0.00 0.00 30.24 31.34 2a4h n GLN 65 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2a4h n PRO 66 N 1.16 1.43 -1.21 3.69 -0.04 -1.26 -4.59 135.00 134.17 2a4h n PRO 66 Ca 0.11 -1.60 -0.26 0.00 -0.04 0.00 0.00 63.50 61.71 2a4h n PRO 66 Cb 0.30 -2.72 0.15 0.00 -0.04 0.00 0.00 33.50 31.19 2a4h n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a4h n ALA 67 N 6.68 5.70 -0.42 0.55 0.00 -1.26 -4.64 120.51 127.12 2a4h n ALA 67 Ca 0.45 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.95 2a4h n ALA 67 Cb 0.32 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.01 -0.03 -0.74 0.00 0.00 -1.26 -4.91 120.51 112.55 2a4h n ALA 68 Ca 0.58 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.69 2a4h n ALA 68 Cb 1.36 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.95 2a4h n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a4h n GLN 69 N -1.37 -0.99 -2.48 0.00 0.00 -1.26 -4.94 117.38 106.35 2a4h n GLN 69 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 57.00 56.45 2a4h n GLN 69 Cb 0.00 -1.70 -0.00 0.00 0.00 0.00 0.00 30.24 28.54 2a4h n GLN 69 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2a4h n ARG 70 N -1.57 3.38 -0.84 2.61 1.85 -1.26 -5.08 116.66 115.74 2a4h n ARG 70 Ca 0.03 -4.46 -0.35 0.00 -1.00 0.00 0.00 57.85 52.07 2a4h n ARG 70 Cb 0.59 -2.25 0.10 0.00 -1.05 0.00 0.00 32.46 29.85 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 -0.46 0.00 -4.41 8.89 -2.24 -1.26 -4.99 114.28 109.81 2a4h n THR 71 Ca 0.40 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.72 2a4h n THR 71 Cb 0.60 -0.35 -0.04 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 -3.65 0.56 -0.11 4.78 4.02 0.28 -4.97 117.16 118.06 2a4h n TYR 72 Ca 0.01 -1.74 -0.22 0.00 -0.01 0.00 0.00 57.90 55.94 2a4h n TYR 72 Cb 0.63 -0.25 -0.10 0.00 -0.02 0.00 0.00 39.34 39.60 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 -1.92 0.86 -2.69 -0.72 0.00 -1.25 -4.00 120.51 110.79 2a4h n ALA 73 Ca -0.14 -0.65 -0.09 0.00 0.00 0.00 0.00 53.44 52.56 2a4h n ALA 73 Cb 0.45 -0.32 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.41 0.92 -0.15 0.00 2.20 -1.11 -4.82 119.74 114.37 2a4h s LYS 74 Ca -0.30 -0.89 -0.17 0.00 -0.36 0.00 0.00 55.97 54.25 2a4h s LYS 74 Cb 0.08 0.38 0.04 0.00 -1.51 0.00 0.00 37.83 36.82 2a4h s LYS 74 CO 0.53 -0.32 0.46 0.00 -0.36 0.00 0.00 175.35 175.66 2a4h s ALA 75 N -3.85 -1.15 -0.02 3.13 0.00 0.39 0.13 121.76 120.39 2a4h s ALA 75 Ca 0.05 1.20 0.05 0.00 0.00 0.00 0.00 51.96 53.25 2a4h s ALA 75 Cb 0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 2a4h s ALA 75 CO -0.11 -0.23 -0.17 0.42 0.00 0.00 0.00 175.76 175.67 2a4h s ILE 76 N -0.03 1.36 -0.72 0.00 1.01 0.30 -0.69 121.20 122.43 2a4h s ILE 76 Ca -0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 2a4h s ILE 76 Cb -0.03 -1.14 0.19 0.00 0.01 0.00 0.00 42.46 41.48 2a4h s ILE 76 CO 0.02 0.39 0.60 -0.22 0.00 0.00 0.00 174.94 175.72 2a4h s LEU 77 N -0.27 5.96 -0.65 2.97 2.96 -1.26 -0.47 118.68 127.92 2a4h s LEU 77 Ca 0.04 -2.78 -0.25 0.00 -0.22 0.00 0.00 54.13 50.92 2a4h s LEU 77 Cb -0.08 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.63 2a4h s LEU 77 CO 0.00 -0.47 1.09 -1.61 -1.32 0.00 0.00 176.35 174.05 2a4h s GLU 78 N 0.04 3.24 0.40 1.98 2.02 -1.16 -1.59 118.70 123.63 2a4h s GLU 78 Ca 0.17 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 54.83 2a4h s GLU 78 Cb -0.16 -4.14 -0.03 0.00 0.10 0.00 0.00 34.13 29.90 2a4h s GLU 78 CO -0.06 -1.83 0.10 0.14 0.02 0.00 0.00 175.26 173.63 2a4h s VAL 79 N 4.70 0.81 0.00 2.63 -7.23 -0.69 -2.92 120.40 117.69 2a4h s VAL 79 Ca 0.31 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 2a4h s VAL 79 Cb -0.12 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2a4h s VAL 79 CO 0.16 0.00 0.43 0.00 -0.31 0.00 0.00 175.10 175.38 2a4h n THR 81 N -0.06 0.00 0.14 0.00 -2.24 -1.26 -4.79 114.28 106.07 2a4h n THR 81 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2a4h n THR 81 Cb 0.37 -1.47 0.05 0.00 -2.10 0.00 0.00 70.33 67.18 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 -3.25 2.07 0.09 0.00 -0.00 -1.26 -4.33 118.16 111.48 2a4h n LYS 83 Ca 0.02 -1.11 0.20 0.00 -0.00 0.00 0.00 58.31 57.42 2a4h n LYS 83 Cb 0.72 -1.50 0.68 0.00 -0.00 0.00 0.00 35.03 34.93 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 1.59 0.00 0.00 5.58 3.57 -1.80 0.52 116.94 126.40 2a4h h PHE 84 Ca 0.00 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 2a4h h PHE 84 Cb 0.72 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2a4h h PHE 84 CO 0.30 0.00 -0.87 -0.09 -2.23 0.00 0.00 178.31 175.43 2a4h h ARG 85 N 0.00 0.00 0.14 1.11 9.65 -1.89 -3.20 114.38 120.19 2a4h h ARG 85 Ca 0.20 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.08 2a4h h ARG 85 Cb 1.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 2a4h h ARG 85 CO -0.00 0.99 -0.07 0.00 2.80 0.00 0.00 179.97 183.70 2a4h h ALA 86 N -0.34 -0.18 -1.92 2.80 0.00 -1.59 -3.36 119.26 114.66 2a4h h ALA 86 Ca -0.24 -0.24 -0.68 0.00 0.00 0.00 0.00 54.91 53.75 2a4h h ALA 86 Cb 1.21 0.07 -0.36 0.00 0.00 0.00 0.00 17.79 18.71 2a4h h ALA 86 CO -0.15 -0.30 0.01 0.66 0.00 0.00 0.00 179.25 179.48 2a4h n TYR 87 N -4.91 3.44 0.29 0.00 4.01 0.17 -4.84 117.16 115.33 2a4h n TYR 87 Ca -0.08 -3.45 0.15 0.00 -0.16 0.00 0.00 57.90 54.36 2a4h n TYR 87 Cb 0.27 -0.79 0.72 0.00 -0.31 0.00 0.00 39.34 39.23 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 3.75 0.00 0.19 -0.72 0.13 -1.62 -2.59 132.00 131.15 2a4h h PRO 88 Ca 0.27 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.09 2a4h h PRO 88 Cb 0.48 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.63 2a4h h PRO 88 CO 0.98 0.00 -1.38 0.37 -0.23 0.00 0.00 178.00 177.74 2a4h h GLN 89 N 0.00 0.41 0.00 0.86 4.15 -1.88 -3.11 115.11 115.54 2a4h h GLN 89 Ca 0.00 -0.70 0.00 0.00 0.77 0.00 0.00 58.65 58.72 2a4h h GLN 89 Cb 0.21 0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2a4h h GLN 89 CO 0.00 1.33 0.00 -0.89 -1.93 0.00 0.00 178.83 177.34 2a4h n ILE 90 N -3.62 0.00 -0.14 2.39 5.41 -0.97 -1.63 119.36 120.79 2a4h n ILE 90 Ca -0.13 0.91 0.28 0.00 1.00 0.00 0.00 62.75 64.80 2a4h n ILE 90 Cb 1.07 -1.68 0.63 0.00 -0.71 0.00 0.00 39.64 38.95 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 -0.35 0.38 4.15 -1.76 0.20 115.11 117.73 2a4h h GLN 91 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 2a4h h GLN 91 Cb 0.00 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 2a4h h GLN 91 CO 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 178.83 176.77 2a4h h ALA 92 N 1.05 0.16 -0.30 3.38 0.00 -1.24 0.73 119.26 123.05 2a4h h ALA 92 Ca 0.42 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.39 2a4h h ALA 92 Cb 2.18 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 20.30 2a4h h ALA 92 CO -0.00 -0.51 -0.09 0.27 0.00 0.00 0.00 179.25 178.91 2a4h h PHE 93 N -0.06 0.52 -0.51 0.00 -5.15 -0.11 -0.08 116.94 111.54 2a4h h PHE 93 Ca 0.17 -0.07 -0.05 0.00 -0.20 0.00 0.00 57.97 57.82 2a4h h PHE 93 Cb 0.33 -0.14 -0.02 0.00 0.22 0.00 0.00 35.95 36.33 2a4h h PHE 93 CO -0.36 0.58 0.12 0.82 -2.00 0.00 0.00 178.31 177.48 2a4h h ILE 94 N 0.46 1.22 0.00 0.88 2.04 -0.78 -1.78 117.51 119.55 2a4h h ILE 94 Ca 0.09 -0.78 -0.10 0.00 1.00 0.00 0.00 64.86 65.07 2a4h h ILE 94 Cb 0.45 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2a4h h ILE 94 CO 0.02 0.29 -0.49 1.56 0.00 0.00 0.00 178.15 179.53 2a4h h GLN 95 N 0.75 0.00 -0.41 2.37 4.20 0.12 -3.23 115.11 118.91 2a4h h GLN 95 Ca 0.17 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.91 2a4h h GLN 95 Cb 0.28 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 2a4h h GLN 95 CO -0.00 0.49 0.20 1.03 -0.67 0.00 0.00 178.83 179.88 2a4h h SER 96 N 0.00 0.28 0.00 1.46 0.87 -0.13 -3.47 113.55 112.56 2a4h h SER 96 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2a4h h SER 96 Cb 1.15 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2a4h h SER 96 CO 0.06 0.20 0.00 0.61 -0.53 0.00 0.00 176.83 177.18 2a4h n GLY 97 N -1.22 0.84 0.24 5.77 0.00 -1.17 -5.00 105.19 104.65 2a4h n GLY 97 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 1.79 0.79 0.00 1.61 -0.00 -1.87 -2.39 114.38 114.32 2a4h h ARG 98 Ca 0.00 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 2a4h h ARG 98 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 29.97 29.81 2a4h h ARG 98 CO 0.00 0.61 -0.04 -1.35 0.00 0.00 0.00 179.97 179.19 2a4h h PRO 99 N 0.77 0.00 0.00 0.04 0.11 -1.89 -0.50 132.00 130.52 2a4h h PRO 99 Ca 0.20 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 2a4h h PRO 99 Cb 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 2a4h h PRO 99 CO -0.03 0.04 -0.00 0.00 -0.21 0.00 0.00 178.00 177.80 2a4h h ALA 100 N 1.96 1.95 0.00 -0.75 0.00 -1.78 0.15 119.26 120.79 2a4h h ALA 100 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a4h h ALA 100 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2a4h h ALA 100 CO 0.01 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.13 2a4h h LYS 101 N 0.00 0.00 -4.78 0.00 1.57 -1.14 -3.40 116.57 108.82 2a4h h LYS 101 Ca -0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 2a4h h LYS 101 Cb 0.01 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.12 2a4h h LYS 101 CO 0.00 0.00 0.20 -0.06 -0.57 0.00 0.00 179.45 179.02 2a4h s PHE 102 N -3.30 2.97 0.39 -1.35 0.08 0.52 -4.90 117.98 112.39 2a4h s PHE 102 Ca 0.05 -0.95 0.19 0.00 0.12 0.00 0.00 56.93 56.34 2a4h s PHE 102 Cb 0.10 -4.06 1.06 0.00 -0.57 0.00 0.00 43.02 39.55 2a4h s PHE 102 CO 0.44 -1.35 1.96 -1.00 -0.10 0.00 0.00 175.22 175.17 2a4h h PRO 103 N 9.20 0.00 -0.02 0.24 0.13 -1.82 -1.96 132.00 137.77 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 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2a4h h PRO 103 CO 1.11 0.23 0.00 0.09 -0.23 0.00 0.00 178.00 179.19 2a4h n ASN 104 N -3.96 0.19 -4.02 1.44 4.13 -1.26 -4.64 115.26 107.14 2a4h n ASN 104 Ca -0.02 -1.46 -0.31 0.00 1.68 0.00 0.00 54.58 54.47 2a4h n ASN 104 Cb 0.31 -0.01 -0.15 0.00 -1.54 0.00 0.00 39.78 38.38 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 -1.57 3.10 0.02 3.41 2.96 -0.74 -0.47 118.68 125.40 2a4h s LEU 105 Ca 0.28 -1.32 -0.11 0.00 -0.22 0.00 0.00 54.13 52.76 2a4h s LEU 105 Cb 0.13 -1.40 -0.06 0.00 0.50 0.00 0.00 46.19 45.37 2a4h s LEU 105 CO 0.22 -0.21 1.17 -0.61 -1.32 0.00 0.00 176.35 175.60 2a4h h GLN 106 N 7.85 -0.35 -3.01 1.98 5.75 -1.17 -3.46 115.11 122.69 2a4h h GLN 106 Ca -0.18 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.31 2a4h h GLN 106 Cb 1.05 0.08 0.02 0.00 1.07 0.00 0.00 27.48 29.70 2a4h h GLN 106 CO 0.44 -0.24 -0.08 -0.89 -2.65 0.00 0.00 178.83 175.41 2a4h n ILE 107 N -3.20 -1.48 -2.83 2.39 2.08 -1.26 -4.90 119.36 110.16 2a4h n ILE 107 Ca -0.04 -0.11 -0.31 0.00 0.56 0.00 0.00 62.75 62.85 2a4h n ILE 107 Cb 0.15 -3.19 -0.04 0.00 -0.75 0.00 0.00 39.64 35.82 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 -3.39 3.83 -0.78 0.38 2.20 -0.62 -4.90 119.74 116.45 2a4h s LYS 108 Ca 0.03 0.56 0.02 0.00 -0.36 0.00 0.00 55.97 56.23 2a4h s LYS 108 Cb -0.00 -2.36 0.30 0.00 -1.51 0.00 0.00 37.83 34.26 2a4h s LYS 108 CO 0.07 -0.04 1.17 0.66 -0.36 0.00 0.00 175.35 176.85 2a4h n TYR 109 N -1.22 3.35 -0.79 4.03 4.01 -1.25 -1.71 117.16 123.59 2a4h n TYR 109 Ca 0.03 -3.49 -0.27 0.00 -0.16 0.00 0.00 57.90 54.01 2a4h n TYR 109 Cb 0.54 -0.79 0.02 0.00 -0.31 0.00 0.00 39.34 38.80 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 0.39 0.00 -0.29 -0.72 3.14 0.36 -4.74 118.33 116.46 2a4h n VAL 110 Ca 0.33 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2a4h n VAL 110 Cb 0.36 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.20 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 -0.55 -0.04 0.00 1.45 2.47 -1.98 -3.40 114.38 112.33 2a4h h ARG 111 Ca -0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 2a4h h ARG 111 Cb 0.99 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 2a4h h ARG 111 CO 0.21 -0.03 0.00 0.41 0.56 0.00 0.00 179.97 181.12 2a4h n GLY 112 N -1.50 -1.92 0.00 0.04 0.00 -1.26 -4.96 105.19 95.59 2a4h n GLY 112 Ca 0.10 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 -4.90 0.99 4.77 -1.26 -5.02 117.00 111.58 2a4h n LEU 113 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 2a4h n LEU 113 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2a4h n LEU 113 CO 0.00 0.00 0.11 1.51 -1.33 0.00 0.00 177.39 177.68 2a4h s ASP 114 N -0.49 6.49 -0.14 -1.43 -4.77 -1.26 -4.11 116.67 110.95 2a4h s ASP 114 Ca 0.00 0.65 -0.29 0.00 -3.30 0.00 0.00 52.55 49.61 2a4h s ASP 114 Cb 0.00 -2.11 -0.05 0.00 -1.09 0.00 0.00 42.92 39.66 2a4h s ASP 114 CO 0.00 -0.05 1.89 -2.84 0.70 0.00 0.00 175.17 174.87 2a4h s PRO 115 N -3.02 3.73 -0.03 2.11 0.02 -1.25 -4.61 135.00 131.95 2a4h s PRO 115 Ca 0.42 2.07 -0.01 0.00 0.02 0.00 0.00 61.00 63.50 2a4h s PRO 115 Cb -0.11 -4.16 0.03 0.00 0.02 0.00 0.00 34.50 30.27 2a4h s PRO 115 CO 0.26 -1.40 0.07 0.08 -0.33 0.00 0.00 177.00 175.68 2a4h s VAL 116 N 5.78 -0.05 -0.37 3.83 1.01 -1.15 -1.50 120.40 127.94 2a4h s VAL 116 Ca 0.84 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 2a4h s VAL 116 Cb -0.33 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 35.94 2a4h s VAL 116 CO 0.34 0.08 1.13 0.68 0.00 0.00 0.00 175.10 177.33 2a4h s VAL 117 N 1.03 4.35 -0.26 2.92 -7.23 0.33 -2.96 120.40 118.57 2a4h s VAL 117 Ca -0.08 1.50 -0.05 0.00 -1.81 0.00 0.00 61.98 61.53 2a4h s VAL 117 Cb -0.12 -4.45 0.00 0.00 0.56 0.00 0.00 36.38 32.38 2a4h s VAL 117 CO -0.04 -0.67 0.03 -0.54 -0.31 0.00 0.00 175.10 173.57 2a4h s LYS 118 N 4.02 3.17 0.24 4.82 -0.14 0.38 -1.41 119.74 130.82 2a4h s LYS 118 Ca 0.48 -0.78 -0.13 0.00 -1.36 0.00 0.00 55.97 54.17 2a4h s LYS 118 Cb -0.11 -3.21 -0.08 0.00 -1.68 0.00 0.00 37.83 32.75 2a4h s LYS 118 CO 0.22 -0.35 0.62 -0.51 -0.76 0.00 0.00 175.35 174.58 2a4h s LEU 119 N 1.48 4.20 0.00 3.17 1.02 0.85 0.11 118.68 129.50 2a4h s LEU 119 Ca 0.03 1.12 0.04 0.00 0.02 0.00 0.00 54.13 55.34 2a4h s LEU 119 Cb -0.16 -3.69 -0.01 0.00 0.02 0.00 0.00 46.19 42.34 2a4h s LEU 119 CO 0.00 -0.06 0.24 0.18 0.02 0.00 0.00 176.35 176.73 2a4h n LEU 120 N 0.12 0.00 0.02 1.79 4.32 0.34 0.16 117.00 123.74 2a4h n LEU 120 Ca -0.00 -2.20 -0.02 0.00 -0.02 0.00 0.00 56.01 53.76 2a4h n LEU 120 Cb 0.52 1.34 -0.01 0.00 -1.62 0.00 0.00 43.42 43.66 2a4h n LEU 120 CO 0.43 -0.40 -0.25 -0.67 -1.22 0.00 0.00 177.39 175.29 2a4h n ASP 121 N -2.00 1.01 0.00 -1.43 2.03 -1.26 -2.75 116.55 112.15 2a4h n ASP 121 Ca 0.04 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2a4h n ASP 121 Cb 0.43 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 -3.54 0.00 0.02 -1.67 0.00 -1.26 -4.27 120.51 109.80 2a4h n ALA 122 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.41 2a4h n ALA 122 Cb 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.56 2a4h n ALA 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2a4h n SER 123 N 0.00 0.71 0.00 0.00 2.88 -1.26 -4.97 113.62 110.98 2a4h n SER 123 Ca 0.00 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2a4h n SER 123 Cb 0.00 0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2a4h n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a4h n GLY 124 N 1.40 1.70 0.36 0.46 0.00 -1.26 -5.02 105.19 102.84 2a4h n GLY 124 Ca -0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 0.77 -4.13 1.61 1.63 -1.93 -3.48 116.57 111.04 2a4h h LYS 125 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2a4h h LYS 125 Cb 0.00 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.46 2a4h h LYS 125 CO 0.00 0.51 -0.51 0.28 -3.45 0.00 0.00 179.45 176.28 2a4h n VAL 126 N -4.52 -7.29 -0.03 2.00 0.31 -1.25 -4.94 118.33 102.60 2a4h n VAL 126 Ca 0.14 0.95 -0.09 0.00 -0.01 0.00 0.00 64.34 65.34 2a4h n VAL 126 Cb 0.33 -5.57 -0.03 0.00 -0.91 0.00 0.00 33.84 27.66 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 1.58 -0.02 -2.73 5.55 1.08 0.13 -3.46 115.11 117.23 2a4h h GLN 127 Ca 0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 2a4h h GLN 127 Cb 0.03 0.01 -0.19 0.00 -0.05 0.00 0.00 27.48 27.27 2a4h h GLN 127 CO 0.06 -0.02 -0.12 -1.21 -0.95 0.00 0.00 178.83 176.59 2a4h s GLU 128 N -6.20 0.82 -0.22 1.46 2.02 -1.17 -4.94 118.70 110.47 2a4h s GLU 128 Ca -0.14 -0.09 0.01 0.00 0.02 0.00 0.00 54.97 54.78 2a4h s GLU 128 Cb 0.10 0.37 0.05 0.00 0.10 0.00 0.00 34.13 34.76 2a4h s GLU 128 CO 0.68 -0.24 -0.07 0.99 0.02 0.00 0.00 175.26 176.64 2a4h s THR 129 N -1.45 1.52 -0.12 3.63 2.01 -1.26 -0.10 115.64 119.87 2a4h s THR 129 Ca -0.12 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 60.79 2a4h s THR 129 Cb -0.03 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.78 2a4h s THR 129 CO 0.05 0.01 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.11 2a4h s LEU 130 N 1.42 1.51 0.57 4.42 1.43 -0.50 -4.97 118.68 122.56 2a4h s LEU 130 Ca -0.04 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 2a4h s LEU 130 Cb -0.18 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 2a4h s LEU 130 CO -0.07 -0.06 1.19 -0.55 0.23 0.00 0.00 176.35 177.10 2a4h s SER 131 N 1.41 5.36 -0.05 2.29 0.15 -1.26 -0.51 113.70 121.09 2a4h s SER 131 Ca 0.01 2.35 0.22 0.00 0.70 0.00 0.00 55.95 59.24 2a4h s SER 131 Cb -0.13 -2.60 0.42 0.00 -1.71 0.00 0.00 66.02 62.01 2a4h s SER 131 CO -0.07 -1.47 1.18 2.30 1.20 0.00 0.00 173.24 176.38 2a4h n ILE 132 N -1.44 0.51 -0.36 6.45 -5.35 -0.56 -4.83 119.36 113.77 2a4h n ILE 132 Ca 0.13 -1.51 0.03 0.00 -0.27 0.00 0.00 62.75 61.13 2a4h n ILE 132 Cb 0.50 0.71 0.18 0.00 -1.74 0.00 0.00 39.64 39.29 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 5.62 1.04 0.00 7.28 1.35 -1.94 -3.43 112.91 122.84 2a4h h THR 133 Ca -0.18 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2a4h h THR 133 Cb 1.69 -0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2a4h h THR 133 CO 0.08 0.20 0.00 0.29 -0.25 0.00 0.00 175.52 175.84 2a4h n LYS 134 N -4.55 0.00 0.00 4.72 5.02 -1.26 -4.72 118.16 117.37 2a4h n LYS 134 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2a4h n LYS 134 Cb 0.23 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 2a4h n LYS 134 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2a4h n TRP 135 N -2.71 0.00 0.00 2.13 7.02 -1.26 -3.08 117.44 119.54 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 0.35 0.00 -0.58 -0.99 6.94 -1.26 -5.16 115.26 114.56 2a4h n ASN 136 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 54.58 54.60 2a4h n ASN 136 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 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 -0.42 0.00 0.00 5.53 5.66 -1.18 -4.56 114.28 119.32 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 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 2a4h n THR 137 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2a4h n ASP 138 N -3.82 0.00 0.15 1.09 -0.08 -1.26 -3.12 116.55 109.52 2a4h n ASP 138 Ca 0.00 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.47 2a4h n ASP 138 Cb 0.12 0.00 0.77 0.00 2.34 0.00 0.00 41.12 44.35 2a4h n ASP 138 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2a4h h THR 139 N 0.00 0.30 -0.44 5.18 2.02 -1.99 0.75 112.91 118.74 2a4h h THR 139 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 2a4h h THR 139 Cb 0.00 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 2a4h h THR 139 CO 0.00 0.00 0.10 1.62 0.37 0.00 0.00 175.52 177.61 2a4h h VAL 140 N 0.00 0.79 -1.00 3.16 3.04 -1.87 1.39 116.25 121.76 2a4h h VAL 140 Ca 0.14 -0.08 0.06 0.00 -1.01 0.00 0.00 66.70 65.81 2a4h h VAL 140 Cb 0.94 0.52 -0.07 0.00 -2.01 0.00 0.00 31.29 30.68 2a4h h VAL 140 CO -0.00 0.04 0.65 -0.08 -1.01 0.00 0.00 177.57 177.17 2a4h h GLU 141 N 0.25 1.16 0.00 4.17 4.81 -1.16 0.19 114.58 123.99 2a4h h GLU 141 Ca 0.21 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2a4h h GLU 141 Cb 0.25 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2a4h h GLU 141 CO -0.26 0.77 -0.41 1.49 -0.73 0.00 0.00 179.01 179.87 2a4h h GLU 142 N 1.19 0.00 -0.65 1.92 4.81 -0.87 -3.08 114.58 117.91 2a4h h GLU 142 Ca 0.42 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.79 2a4h h GLU 142 Cb 0.13 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.41 2a4h h GLU 142 CO -0.16 0.41 0.07 0.35 -0.73 0.00 0.00 179.01 178.95 2a4h h PHE 143 N 0.00 0.09 0.04 0.92 3.57 0.50 -2.98 116.94 119.08 2a4h h PHE 143 Ca -0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2a4h h PHE 143 Cb 0.88 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2a4h h PHE 143 CO 0.00 -0.12 -0.02 0.74 -2.23 0.00 0.00 178.31 176.68 2a4h h PHE 144 N 0.19 -0.05 -1.92 0.41 0.04 -1.49 -2.30 116.94 111.81 2a4h h PHE 144 Ca 0.35 -0.00 0.56 0.00 2.80 0.00 0.00 57.97 61.67 2a4h h PHE 144 Cb 0.57 0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.66 2a4h h PHE 144 CO -0.32 0.34 1.40 -0.85 -0.60 0.00 0.00 178.31 178.28 2a4h n GLU 145 N -4.76 0.00 -0.10 1.51 -0.00 -1.17 0.78 120.64 116.91 2a4h n GLU 145 Ca -0.05 1.06 -0.12 0.00 -0.00 0.00 0.00 57.16 58.05 2a4h n GLU 145 Cb 0.20 -2.46 -0.11 0.00 -0.00 0.00 0.00 31.44 29.08 2a4h n GLU 145 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2a4h n THR 146 N -3.86 1.17 0.35 3.84 5.66 -1.13 -4.40 114.28 115.90 2a4h n THR 146 Ca 0.43 -0.54 0.14 0.00 -3.05 0.00 0.00 64.05 61.04 2a4h n THR 146 Cb 1.97 -1.00 0.57 0.00 -1.55 0.00 0.00 70.33 70.32 2a4h n THR 146 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 2a4h h HIS 147 N 0.00 0.00 -1.75 1.09 3.86 0.07 -3.44 115.15 114.98 2a4h h HIS 147 Ca -0.46 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.32 2a4h h HIS 147 Cb 1.82 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.31 2a4h h HIS 147 CO 0.02 0.00 -0.24 -0.51 0.86 0.00 0.00 177.93 178.05 2a4h s LEU 148 N -5.34 3.70 0.01 2.43 1.43 0.23 0.10 118.68 121.25 2a4h s LEU 148 Ca 0.03 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2a4h s LEU 148 Cb 0.09 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 2a4h s LEU 148 CO 0.48 -0.72 -0.12 0.00 0.23 0.00 0.00 176.35 176.23 2a4h s ALA 149 N -2.37 1.01 -1.03 4.21 0.00 -1.26 -4.76 121.76 117.56 2a4h s ALA 149 Ca 0.52 -0.64 -0.27 0.00 0.00 0.00 0.00 51.96 51.57 2a4h s ALA 149 Cb -0.10 -0.20 -0.22 0.00 0.00 0.00 0.00 23.12 22.61 2a4h s ALA 149 CO 0.33 0.21 2.17 0.15 0.00 0.00 0.00 175.76 178.63 2a4h s LYS 150 N -0.72 1.21 -0.30 0.00 -0.14 -1.26 -4.61 119.74 113.92 2a4h s LYS 150 Ca 0.02 -0.26 -0.00 0.00 -1.36 0.00 0.00 55.97 54.37 2a4h s LYS 150 Cb -0.06 -4.94 0.10 0.00 -1.68 0.00 0.00 37.83 31.24 2a4h s LYS 150 CO 0.00 -5.38 0.08 -0.51 -0.76 0.00 0.00 175.35 168.78 2a4h s ASP 151 N 8.98 4.04 0.51 2.83 1.01 -1.26 -5.11 116.67 127.67 2a4h s ASP 151 Ca 0.84 -1.62 -0.01 0.00 0.71 0.00 0.00 52.55 52.46 2a4h s ASP 151 Cb -0.06 -0.96 0.01 0.00 1.01 0.00 0.00 42.92 42.92 2a4h s ASP 151 CO 0.17 -0.39 0.76 -0.83 0.21 0.00 0.00 175.17 175.08 2a4h s GLY 152 N 1.53 1.64 -0.07 0.21 0.00 -1.26 -4.63 107.32 104.74 2a4h s GLY 152 Ca 0.08 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.80 2a4h s GLY 152 CO -0.21 -0.80 0.72 0.00 0.00 0.00 0.00 173.10 172.81 2a4h n ALA 153 N -2.29 0.96 0.00 3.20 0.00 -1.26 -5.07 120.51 116.05 2a4h n ALA 153 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2a4h n ALA 153 Cb 0.58 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.32 0.27 3.56 0.00 0.00 -1.26 -5.06 105.19 102.39 2a4h n GLY 154 Ca -0.12 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 2.42 -0.41 1.61 -0.14 -1.26 -4.89 119.74 117.07 2a4h s LYS 155 Ca 0.00 -0.14 -0.27 0.00 -1.36 0.00 0.00 55.97 54.21 2a4h s LYS 155 Cb 0.00 -4.99 -0.06 0.00 -1.68 0.00 0.00 37.83 31.09 2a4h s LYS 155 CO 0.00 -3.50 2.36 0.09 -0.76 0.00 0.00 175.35 173.54 2a4h n ASN 156 N 14.60 2.60 -4.89 2.83 3.02 -1.26 -4.94 115.26 127.22 2a4h n ASN 156 Ca 0.40 -0.29 -0.31 0.00 -0.03 0.00 0.00 54.58 54.35 2a4h n ASN 156 Cb 0.47 -1.57 -0.05 0.00 -0.61 0.00 0.00 39.78 38.02 2a4h n ASN 156 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2a4h s SER 157 N 11.03 6.17 -0.28 6.41 0.01 -1.26 -4.80 113.70 130.98 2a4h s SER 157 Ca 0.99 0.21 -0.02 0.00 1.31 0.00 0.00 55.95 58.45 2a4h s SER 157 Cb -0.23 -1.85 0.01 0.00 0.21 0.00 0.00 66.02 64.15 2a4h s SER 157 CO 0.29 0.18 0.03 -1.22 0.41 0.00 0.00 173.24 172.93 2a4h n TYR 158 N 0.38 -3.96 -1.59 2.43 4.02 -1.26 -5.03 117.16 112.14 2a4h n TYR 158 Ca -0.06 1.83 -0.06 0.00 -0.01 0.00 0.00 57.90 59.60 2a4h n TYR 158 Cb 0.51 -3.92 0.04 0.00 -0.02 0.00 0.00 39.34 35.95 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 0.86 0.12 -3.57 7.72 7.64 -1.26 -5.05 113.62 120.07 2a4h n SER 159 Ca -0.05 -1.15 -0.20 0.00 1.01 0.00 0.00 58.87 58.48 2a4h n SER 159 Cb 0.10 -0.19 0.17 0.00 -1.01 0.00 0.00 64.21 63.28 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 -2.15 0.00 -3.84 0.44 0.24 -1.26 -5.02 118.33 106.74 2a4h n VAL 160 Ca 0.04 -0.04 -0.22 0.00 -2.04 0.00 0.00 64.34 62.07 2a4h n VAL 160 Cb 0.12 -0.56 -0.17 0.00 -1.47 0.00 0.00 33.84 31.76 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 -2.08 0.39 0.48 3.34 1.01 -1.26 -5.14 120.40 117.13 2a4h s VAL 161 Ca 0.40 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 2a4h s VAL 161 Cb -0.07 -0.52 -0.09 0.00 0.00 0.00 0.00 36.38 35.70 2a4h s VAL 161 CO 0.37 0.25 1.03 -1.61 0.00 0.00 0.00 175.10 175.14 2a4h s GLU 162 N 1.76 3.84 -0.33 2.72 2.02 -1.26 -5.00 118.70 122.44 2a4h s GLU 162 Ca 0.02 1.36 -0.23 0.00 0.02 0.00 0.00 54.97 56.14 2a4h s GLU 162 Cb -0.13 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.98 2a4h s GLU 162 CO -0.04 -0.40 0.77 0.34 0.02 0.00 0.00 175.26 175.95 2a4h s ASP 163 N -1.96 6.59 0.50 -0.19 -1.08 -1.26 -5.05 116.67 114.22 2a4h s ASP 163 Ca 0.66 0.49 -0.16 0.00 -0.52 0.00 0.00 52.55 53.02 2a4h s ASP 163 Cb -0.16 -2.39 -0.08 0.00 -1.46 0.00 0.00 42.92 38.83 2a4h s ASP 163 CO 0.20 -0.66 0.96 0.00 0.52 0.00 0.00 175.17 176.19 2a4h s ALA 164 N 2.99 3.10 -0.23 3.66 0.00 -1.26 -5.08 121.76 124.94 2a4h s ALA 164 Ca 0.31 0.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.14 2a4h s ALA 164 Cb -0.14 -3.07 0.13 0.00 0.00 0.00 0.00 23.12 20.05 2a4h s ALA 164 CO 0.15 -0.19 1.07 0.34 0.00 0.00 0.00 175.76 177.12 2a4h s ASP 165 N -3.04 -0.37 0.10 0.00 -1.08 -1.26 -5.17 116.67 105.84 2a4h s ASP 165 Ca 0.58 0.58 0.02 0.00 -0.52 0.00 0.00 52.55 53.21 2a4h s ASP 165 Cb -0.10 0.54 -0.04 0.00 -1.46 0.00 0.00 42.92 41.87 2a4h s ASP 165 CO 0.31 -0.21 0.16 -0.83 0.52 0.00 0.00 175.17 175.11 2a4h s GLY 166 N -0.39 1.98 -0.03 2.66 0.00 -1.26 -5.12 107.32 105.16 2a4h s GLY 166 Ca 0.02 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.77 2a4h s GLY 166 CO -0.04 -0.98 -0.10 -0.35 0.00 0.00 0.00 173.10 171.63 2a4h s ASP 167 N -2.67 1.38 0.79 1.64 2.15 -1.26 -5.14 116.67 113.55 2a4h s ASP 167 Ca 0.32 -0.22 -0.11 0.00 0.43 0.00 0.00 52.55 52.97 2a4h s ASP 167 Cb -0.12 -0.43 0.06 0.00 -0.30 0.00 0.00 42.92 42.13 2a4h s ASP 167 CO 0.25 0.06 1.09 -1.81 -0.17 0.00 0.00 175.17 174.59 2a4h s ASP 168 N 0.29 4.51 0.06 -0.34 1.01 -1.26 -4.98 116.67 115.96 2a4h s ASP 168 Ca -0.05 1.49 -0.16 0.00 0.71 0.00 0.00 52.55 54.53 2a4h s ASP 168 Cb -0.10 -2.24 -0.06 0.00 1.01 0.00 0.00 42.92 41.53 2a4h s ASP 168 CO 0.01 -1.98 1.27 0.44 0.21 0.00 0.00 175.17 175.12 2a4h h ASP 169 N -1.09 -0.85 0.00 0.27 5.19 -2.08 -3.46 116.42 114.41 2a4h h ASP 169 Ca -0.46 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 2a4h h ASP 169 Cb 1.25 0.33 0.00 0.00 0.18 0.00 0.00 39.33 41.09 2a4h h ASP 169 CO 0.57 -0.23 0.00 -0.62 -3.12 0.00 0.00 179.24 175.84 2a4h n GLU 170 N -3.96 0.00 -1.98 3.56 1.02 -1.26 -5.02 120.64 113.00 2a4h n GLU 170 Ca -0.03 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.91 2a4h n GLU 170 Cb 0.18 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.55 2a4h n GLU 170 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2a4h n ASP 171 N -0.70 -5.59 -3.68 1.62 8.00 -1.26 -4.98 116.55 109.97 2a4h n ASP 171 Ca 0.00 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2a4h n ASP 171 Cb 0.00 -4.74 0.00 0.00 -0.02 0.00 0.00 41.12 36.36 2a4h n ASP 171 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a4h n TYR 172 N -3.21 -0.54 -3.94 1.24 9.36 -1.26 -5.00 117.16 113.80 2a4h n TYR 172 Ca -0.22 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.70 2a4h n TYR 172 Cb 0.67 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 39.24 2a4h n TYR 172 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2a4h s LEU 173 N 0.00 4.22 -1.00 2.98 1.43 -1.26 -5.04 118.68 120.00 2a4h s LEU 173 Ca 0.00 -2.48 -0.23 0.00 -1.03 0.00 0.00 54.13 50.39 2a4h s LEU 173 Cb 0.00 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.70 2a4h s LEU 173 CO 0.00 -0.32 1.73 -0.13 0.23 0.00 0.00 176.35 177.86 2a4h s ARG 174 N 0.46 3.08 -0.09 1.70 0.52 -1.26 -4.92 118.95 118.43 2a4h s ARG 174 Ca 0.14 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.55 2a4h s ARG 174 Cb -0.22 -5.23 0.02 0.00 0.52 0.00 0.00 34.95 30.03 2a4h s ARG 174 CO -0.06 -2.86 -0.13 0.99 0.02 0.00 0.00 175.30 173.26 2a4h s THR 175 N 7.64 1.29 -0.15 0.02 2.01 -1.26 -5.11 115.64 120.08 2a4h s THR 175 Ca 0.59 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 2a4h s THR 175 Cb -0.03 -1.20 0.05 0.00 0.01 0.00 0.00 72.50 71.33 2a4h s THR 175 CO -0.03 0.40 0.03 0.21 -0.69 0.00 0.00 174.62 174.54 2a4h s ASN 176 N 1.00 2.39 -0.44 3.53 3.84 -1.26 -5.04 114.94 118.96 2a4h s ASN 176 Ca -0.07 -0.54 0.07 0.00 0.21 0.00 0.00 52.86 52.53 2a4h s ASN 176 Cb -0.15 -0.51 0.27 0.00 -0.55 0.00 0.00 41.25 40.31 2a4h s ASN 176 CO -0.01 -0.27 0.81 0.54 -2.79 0.00 0.00 177.10 175.38 2a4h n ARG 177 N 5.10 0.83 0.00 0.43 1.74 -1.26 -5.36 116.66 118.15 2a4h n ARG 177 Ca -0.08 -2.41 0.00 0.00 -0.77 0.00 0.00 57.85 54.59 2a4h n ARG 177 Cb 0.48 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 2a4h n ARG 177 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55