#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a4h n ALA 54 N 0.00 0.00 0.02 3.17 0.00 -1.26 -4.16 120.51 118.28 2a4h n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2a4h n ALA 54 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2a4h n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2a4h n SER 55 N 1.79 -0.40 0.00 0.00 3.41 -1.26 -5.03 113.62 112.14 2a4h n SER 55 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2a4h n SER 55 Cb 0.00 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2a4h n SER 55 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2a4h n HIS 56 N -2.43 0.00 -2.47 7.33 -0.00 -1.26 -5.10 115.22 111.29 2a4h n HIS 56 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 2a4h n HIS 56 Cb 0.00 0.23 0.05 0.00 -0.00 0.00 0.00 29.99 30.27 2a4h n HIS 56 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2a4h s HIS 57 N -1.99 2.81 -0.85 1.57 4.02 -1.26 -5.04 115.29 114.54 2a4h s HIS 57 Ca 0.00 0.14 0.01 0.00 1.02 0.00 0.00 55.06 56.23 2a4h s HIS 57 Cb 0.00 -2.94 0.25 0.00 -1.02 0.00 0.00 32.58 28.87 2a4h s HIS 57 CO 0.00 -1.12 0.94 -2.39 1.02 0.00 0.00 174.74 173.19 2a4h n HIS 58 N -2.59 3.49 -3.57 1.40 -0.00 -1.26 -4.64 115.22 108.06 2a4h n HIS 58 Ca 0.08 -3.75 -0.41 0.00 -0.00 0.00 0.00 57.72 53.65 2a4h n HIS 58 Cb 0.60 -0.95 -0.08 0.00 -0.00 0.00 0.00 29.99 29.56 2a4h n HIS 58 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2a4h s HIS 59 N -2.14 3.47 0.00 -1.40 2.46 -1.26 -4.79 115.29 111.63 2a4h s HIS 59 Ca 0.33 -2.06 0.00 0.00 0.47 0.00 0.00 55.06 53.80 2a4h s HIS 59 Cb 0.04 -3.47 0.00 0.00 -0.13 0.00 0.00 32.58 29.01 2a4h s HIS 59 CO -0.03 -0.97 0.00 0.72 -2.47 0.00 0.00 174.74 171.99 2a4h n HIS 60 N 4.55 0.00 1.11 3.88 -0.00 -1.26 -4.74 115.22 118.77 2a4h n HIS 60 Ca -0.03 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.80 2a4h n HIS 60 Cb 0.41 0.00 0.57 0.00 -0.00 0.00 0.00 29.99 30.97 2a4h n HIS 60 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2a4h n HIS 61 N -2.01 0.00 0.00 4.41 -0.00 -1.26 -4.90 115.22 111.46 2a4h n HIS 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2a4h n HIS 61 Cb 0.29 -0.19 0.00 0.00 -0.00 0.00 0.00 29.99 30.08 2a4h n HIS 61 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2a4h n LEU 62 N -1.19 0.00 -4.13 2.41 4.77 -1.26 -4.64 117.00 112.96 2a4h n LEU 62 Ca 0.12 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.92 2a4h n LEU 62 Cb 0.14 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 2a4h n LEU 62 CO 0.15 0.00 -0.45 -0.62 -1.33 0.00 0.00 177.39 175.14 2a4h s ASP 63 N -0.41 1.44 0.00 -1.43 2.15 -1.26 -5.08 116.67 112.07 2a4h s ASP 63 Ca 0.00 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 52.46 2a4h s ASP 63 Cb 0.00 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.57 2a4h s ASP 63 CO 0.00 -0.06 0.93 1.67 -0.17 0.00 0.00 175.17 177.54 2a4h n GLN 64 N 1.62 0.00 -1.89 4.34 7.27 -1.26 -4.56 117.38 122.90 2a4h n GLN 64 Ca -0.20 0.72 -0.40 0.00 0.07 0.00 0.00 57.00 57.19 2a4h n GLN 64 Cb 0.55 -1.43 -0.00 0.00 2.41 0.00 0.00 30.24 31.76 2a4h n GLN 64 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2a4h s GLN 65 N -2.73 4.02 0.61 3.69 0.74 -1.26 -4.95 119.66 119.78 2a4h s GLN 65 Ca 0.00 2.41 -0.18 0.00 0.05 0.00 0.00 55.36 57.63 2a4h s GLN 65 Cb 0.00 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 2a4h s GLN 65 CO 0.00 -0.54 1.08 -2.30 -0.55 0.00 0.00 175.29 172.98 2a4h n PRO 66 N 0.29 1.00 -0.11 1.67 -0.02 -1.26 -4.96 135.00 131.60 2a4h n PRO 66 Ca 0.02 0.39 -0.14 0.00 -2.02 0.00 0.00 63.50 61.75 2a4h n PRO 66 Cb 0.41 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.45 2a4h n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a4h n ALA 67 N -1.76 1.48 -3.33 3.55 0.00 -1.26 -5.01 120.51 114.17 2a4h n ALA 67 Ca 0.14 -1.19 -0.15 0.00 0.00 0.00 0.00 53.44 52.24 2a4h n ALA 67 Cb 0.47 -0.13 0.02 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.01 0.60 -1.99 0.00 0.00 -1.26 -5.14 120.51 109.72 2a4h n ALA 68 Ca -0.39 -1.22 -0.23 0.00 0.00 0.00 0.00 53.44 51.60 2a4h n ALA 68 Cb 1.06 0.41 0.10 0.00 0.00 0.00 0.00 19.45 21.01 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 -3.40 1.83 -0.37 0.00 0.00 -1.26 -5.05 119.66 111.41 2a4h s GLN 69 Ca 0.27 -1.13 0.12 0.00 -0.00 0.00 0.00 55.36 54.62 2a4h s GLN 69 Cb -0.02 -2.38 0.44 0.00 0.00 0.00 0.00 33.01 31.05 2a4h s GLN 69 CO 0.17 -1.31 1.04 2.89 0.00 0.00 0.00 175.29 178.08 2a4h n ARG 70 N -2.72 2.32 -0.65 9.60 1.85 -1.26 -5.10 116.66 120.70 2a4h n ARG 70 Ca 0.14 -3.88 -0.28 0.00 -1.00 0.00 0.00 57.85 52.83 2a4h n ARG 70 Cb 0.61 -1.77 0.25 0.00 -1.05 0.00 0.00 32.46 30.50 2a4h n ARG 70 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2a4h s THR 71 N -4.32 1.99 0.40 8.89 -4.23 -1.26 -4.91 115.64 112.19 2a4h s THR 71 Ca 0.38 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.94 2a4h s THR 71 Cb 0.42 -2.14 -0.07 0.00 1.34 0.00 0.00 72.50 72.06 2a4h s THR 71 CO -0.07 0.00 0.02 -0.31 -0.54 0.00 0.00 174.62 173.73 2a4h s TYR 72 N -2.54 2.31 -0.14 3.99 1.51 0.44 -4.97 117.35 117.95 2a4h s TYR 72 Ca 0.68 -0.78 0.19 0.00 -1.01 0.00 0.00 57.07 56.15 2a4h s TYR 72 Cb -0.24 -1.63 -0.14 0.00 -0.11 0.00 0.00 41.96 39.85 2a4h s TYR 72 CO 0.64 0.30 0.77 0.00 -1.11 0.00 0.00 175.55 176.15 2a4h n ALA 73 N -0.92 2.12 -3.53 3.71 0.00 -1.23 -4.19 120.51 116.46 2a4h n ALA 73 Ca -0.06 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.76 2a4h n ALA 73 Cb 0.67 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 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 -3.05 1.04 0.13 0.00 2.20 -0.99 -4.78 119.74 114.30 2a4h s LYS 74 Ca -0.04 -0.43 -0.23 0.00 -0.36 0.00 0.00 55.97 54.92 2a4h s LYS 74 Cb 0.09 0.45 0.07 0.00 -1.51 0.00 0.00 37.83 36.93 2a4h s LYS 74 CO 0.82 -0.46 0.58 0.00 -0.36 0.00 0.00 175.35 175.93 2a4h s ALA 75 N -3.36 -1.53 -0.11 3.13 0.00 0.42 0.11 121.76 120.41 2a4h s ALA 75 Ca 0.05 0.51 -0.09 0.00 0.00 0.00 0.00 51.96 52.42 2a4h s ALA 75 Cb -0.01 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.92 2a4h s ALA 75 CO -0.08 -0.71 0.29 0.42 0.00 0.00 0.00 175.76 175.68 2a4h s ILE 76 N -3.49 -0.01 -0.62 0.00 1.01 0.27 -0.58 121.20 117.78 2a4h s ILE 76 Ca -0.00 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 2a4h s ILE 76 Cb -0.01 -0.42 0.16 0.00 0.01 0.00 0.00 42.46 42.20 2a4h s ILE 76 CO -0.11 0.01 0.51 -0.22 0.00 0.00 0.00 174.94 175.14 2a4h s LEU 77 N 0.46 5.96 -0.40 2.97 2.96 -1.26 -1.13 118.68 128.25 2a4h s LEU 77 Ca -0.03 -2.33 -0.22 0.00 -0.22 0.00 0.00 54.13 51.33 2a4h s LEU 77 Cb -0.04 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.61 2a4h s LEU 77 CO -0.02 -0.61 0.74 -1.61 -1.32 0.00 0.00 176.35 173.53 2a4h s GLU 78 N 0.73 3.57 0.17 1.98 2.02 -1.11 -0.60 118.70 125.45 2a4h s GLU 78 Ca 0.11 0.04 -0.03 0.00 0.02 0.00 0.00 54.97 55.11 2a4h s GLU 78 Cb -0.21 -3.87 -0.03 0.00 0.10 0.00 0.00 34.13 30.12 2a4h s GLU 78 CO -0.03 -0.93 0.15 0.14 0.02 0.00 0.00 175.26 174.61 2a4h s VAL 79 N 3.05 0.06 0.00 2.63 -7.23 -0.39 -2.37 120.40 116.15 2a4h s VAL 79 Ca 0.28 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2a4h s VAL 79 Cb -0.13 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.65 2a4h s VAL 79 CO 0.19 -0.26 0.75 0.00 -0.31 0.00 0.00 175.10 175.47 2a4h n THR 81 N -0.28 0.00 0.17 0.00 -2.24 -1.26 -4.81 114.28 105.86 2a4h n THR 81 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2a4h n THR 81 Cb 0.20 -1.44 0.26 0.00 -2.10 0.00 0.00 70.33 67.26 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 -3.53 2.30 -0.11 0.00 -0.00 -1.26 -4.35 118.16 111.21 2a4h n LYS 83 Ca -0.00 -1.18 0.27 0.00 -0.00 0.00 0.00 58.31 57.39 2a4h n LYS 83 Cb 0.56 -1.64 0.71 0.00 -0.00 0.00 0.00 35.03 34.66 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 1.60 0.00 0.00 5.58 3.57 -1.76 0.56 116.94 126.49 2a4h h PHE 84 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2a4h h PHE 84 Cb 0.89 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2a4h h PHE 84 CO 0.37 0.00 -0.63 -0.09 -2.23 0.00 0.00 178.31 175.73 2a4h h ARG 85 N 0.00 0.00 0.35 1.11 2.43 -1.87 -3.28 114.38 113.12 2a4h h ARG 85 Ca 0.37 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 2a4h h ARG 85 Cb 1.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 2a4h h ARG 85 CO -0.00 0.54 -0.17 0.00 -1.51 0.00 0.00 179.97 178.82 2a4h h ALA 86 N -0.65 -0.48 -1.85 2.80 0.00 -1.72 -3.36 119.26 114.00 2a4h h ALA 86 Ca -0.13 -0.19 -0.69 0.00 0.00 0.00 0.00 54.91 53.90 2a4h h ALA 86 Cb 0.81 0.18 -0.35 0.00 0.00 0.00 0.00 17.79 18.43 2a4h h ALA 86 CO -0.08 -0.53 0.12 0.66 0.00 0.00 0.00 179.25 179.42 2a4h n TYR 87 N -5.12 3.39 0.30 0.00 4.01 0.19 -4.82 117.16 115.11 2a4h n TYR 87 Ca -0.09 -3.35 0.13 0.00 -0.16 0.00 0.00 57.90 54.44 2a4h n TYR 87 Cb 0.27 -0.83 0.60 0.00 -0.31 0.00 0.00 39.34 39.07 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 0.04 -0.72 0.13 -1.61 -2.62 132.00 130.97 2a4h h PRO 88 Ca 0.30 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.18 2a4h h PRO 88 Cb 0.45 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.59 2a4h h PRO 88 CO 1.00 0.00 -1.06 1.96 -0.23 0.00 0.00 178.00 179.67 2a4h h GLN 89 N 0.00 0.47 0.00 0.86 4.20 -1.89 -3.08 115.11 115.67 2a4h h GLN 89 Ca 0.00 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.15 2a4h h GLN 89 Cb 0.24 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2a4h h GLN 89 CO 0.00 1.21 0.00 -0.89 -0.67 0.00 0.00 178.83 178.48 2a4h n ILE 90 N -3.74 0.00 -0.28 2.54 5.41 -0.99 -1.58 119.36 120.72 2a4h n ILE 90 Ca -0.09 0.95 0.34 0.00 1.00 0.00 0.00 62.75 64.95 2a4h n ILE 90 Cb 0.90 -1.72 0.68 0.00 -0.71 0.00 0.00 39.64 38.79 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 0.13 0.38 4.15 -1.75 0.19 115.11 118.22 2a4h h GLN 91 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.44 2a4h h GLN 91 Cb 0.00 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 2a4h h GLN 91 CO 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 178.83 176.60 2a4h h ALA 92 N 1.12 -0.52 0.00 3.38 0.00 -1.20 0.25 119.26 122.29 2a4h h ALA 92 Ca 0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2a4h h ALA 92 Cb 2.48 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 20.76 2a4h h ALA 92 CO -0.01 -0.84 -0.09 0.27 0.00 0.00 0.00 179.25 178.58 2a4h h PHE 93 N -0.53 0.00 -0.21 0.00 -5.15 0.41 0.56 116.94 112.02 2a4h h PHE 93 Ca 0.03 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.68 2a4h h PHE 93 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.72 2a4h h PHE 93 CO -0.26 0.09 -0.34 0.82 -2.00 0.00 0.00 178.31 176.61 2a4h h ILE 94 N 0.00 1.33 0.00 0.88 2.04 -0.87 -3.09 117.51 117.79 2a4h h ILE 94 Ca -0.00 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 2a4h h ILE 94 Cb 0.21 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2a4h h ILE 94 CO 0.01 0.48 -0.04 1.56 0.00 0.00 0.00 178.15 180.16 2a4h h GLN 95 N 0.29 0.00 -1.08 2.37 4.20 0.16 -3.28 115.11 117.77 2a4h h GLN 95 Ca 0.02 0.00 0.34 0.00 0.06 0.00 0.00 58.65 59.06 2a4h h GLN 95 Cb 0.93 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.57 2a4h h GLN 95 CO 0.08 0.04 0.65 0.66 -0.67 0.00 0.00 178.83 179.59 2a4h h SER 96 N 0.00 0.44 0.00 1.46 4.64 -0.82 -3.45 113.55 115.82 2a4h h SER 96 Ca -0.00 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2a4h h SER 96 Cb 0.87 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2a4h h SER 96 CO 0.01 -0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.47 2a4h n GLY 97 N -1.38 2.10 0.20 -0.77 0.00 -1.24 -4.95 105.19 99.16 2a4h n GLY 97 Ca 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.27 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 0.44 0.62 0.00 1.61 -0.00 -1.86 -1.83 114.38 113.36 2a4h h ARG 98 Ca 0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.44 2a4h h ARG 98 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 29.97 29.83 2a4h h ARG 98 CO 0.00 0.41 -0.02 -1.35 0.00 0.00 0.00 179.97 179.01 2a4h h PRO 99 N 0.64 0.00 0.00 0.04 0.11 -1.83 -0.77 132.00 130.18 2a4h h PRO 99 Ca 0.18 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 2a4h h PRO 99 Cb -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 2a4h h PRO 99 CO -0.05 0.02 -0.22 0.00 -0.21 0.00 0.00 178.00 177.54 2a4h h ALA 100 N 1.98 1.14 0.00 -0.75 0.00 -1.61 -2.40 119.26 117.62 2a4h h ALA 100 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2a4h h ALA 100 Cb 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2a4h h ALA 100 CO 0.00 0.28 -0.04 0.87 0.00 0.00 0.00 179.25 180.36 2a4h h LYS 101 N 0.00 0.00 -6.57 0.00 1.57 -1.14 -3.42 116.57 107.01 2a4h h LYS 101 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2a4h h LYS 101 Cb 0.61 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 2a4h h LYS 101 CO 0.03 0.04 0.95 -0.06 -0.57 0.00 0.00 179.45 179.83 2a4h s PHE 102 N -3.38 2.66 0.19 -1.35 0.08 -0.90 -4.90 117.98 110.37 2a4h s PHE 102 Ca 0.04 0.45 -0.09 0.00 0.12 0.00 0.00 56.93 57.46 2a4h s PHE 102 Cb 0.07 -4.48 0.09 0.00 -0.57 0.00 0.00 43.02 38.13 2a4h s PHE 102 CO 0.63 -1.51 1.68 -1.00 -0.10 0.00 0.00 175.22 174.91 2a4h h PRO 103 N 9.47 1.09 0.00 0.24 0.13 -1.83 -2.41 132.00 138.69 2a4h h PRO 103 Ca -0.25 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2a4h h PRO 103 Cb 1.06 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2a4h h PRO 103 CO 1.17 1.01 0.00 0.09 -0.23 0.00 0.00 178.00 180.04 2a4h n ASN 104 N -4.22 0.16 -4.88 1.44 4.13 -1.26 -4.66 115.26 105.97 2a4h n ASN 104 Ca 0.04 0.55 -0.36 0.00 1.68 0.00 0.00 54.58 56.49 2a4h n ASN 104 Cb 0.30 -0.58 -0.06 0.00 -1.54 0.00 0.00 39.78 37.90 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 -3.39 4.39 -0.25 3.41 2.96 -0.91 0.16 118.68 125.06 2a4h s LEU 105 Ca 0.04 0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 54.42 2a4h s LEU 105 Cb 0.06 -2.38 -0.13 0.00 0.50 0.00 0.00 46.19 44.25 2a4h s LEU 105 CO 0.20 0.34 -0.28 1.67 -1.32 0.00 0.00 176.35 176.96 2a4h n GLN 106 N 1.58 0.56 -2.83 1.98 -0.06 0.25 -4.92 117.38 113.93 2a4h n GLN 106 Ca -0.16 0.19 -0.07 0.00 -2.00 0.00 0.00 57.00 54.97 2a4h n GLN 106 Cb 0.54 -1.43 0.01 0.00 -4.06 0.00 0.00 30.24 25.30 2a4h n GLN 106 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2a4h n ILE 107 N -3.73-11.28 -4.22 1.69 2.08 -1.26 -4.87 119.36 97.77 2a4h n ILE 107 Ca -0.46 1.04 -0.35 0.00 0.56 0.00 0.00 62.75 63.54 2a4h n ILE 107 Cb 0.89 -7.27 -0.08 0.00 -0.75 0.00 0.00 39.64 32.43 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 -2.47 3.09 -0.95 0.38 2.20 0.23 -4.87 119.74 117.35 2a4h s LYS 108 Ca 0.21 -0.36 -0.00 0.00 -0.36 0.00 0.00 55.97 55.46 2a4h s LYS 108 Cb -0.06 -2.89 0.32 0.00 -1.51 0.00 0.00 37.83 33.69 2a4h s LYS 108 CO 0.77 0.71 1.56 0.66 -0.36 0.00 0.00 175.35 178.69 2a4h n TYR 109 N 1.93 2.89 -0.72 4.03 4.01 -1.25 -1.26 117.16 126.79 2a4h n TYR 109 Ca -0.18 -2.87 -0.25 0.00 -0.16 0.00 0.00 57.90 54.45 2a4h n TYR 109 Cb 0.54 -1.07 0.02 0.00 -0.31 0.00 0.00 39.34 38.52 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 0.26 0.00 -0.15 -0.72 3.14 0.42 -4.73 118.33 116.55 2a4h n VAL 110 Ca 0.39 -0.33 -0.03 0.00 -2.96 0.00 0.00 64.34 61.41 2a4h n VAL 110 Cb 0.30 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.14 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 -0.41 0.22 -0.00 1.45 2.47 -1.96 -3.37 114.38 112.78 2a4h h ARG 111 Ca -0.28 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.38 2a4h h ARG 111 Cb 0.90 -0.05 -0.13 0.00 -1.65 0.00 0.00 29.97 29.04 2a4h h ARG 111 CO 0.20 0.14 0.04 0.41 0.56 0.00 0.00 179.97 181.32 2a4h n GLY 112 N -1.27 -2.06 1.83 0.04 0.00 -1.26 -4.92 105.19 97.54 2a4h n GLY 112 Ca 0.05 1.15 -0.15 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 1.51 0.00 -4.85 0.99 4.77 -1.26 -5.02 117.00 113.13 2a4h n LEU 113 Ca 0.00 -1.65 -0.33 0.00 -0.03 0.00 0.00 56.01 54.00 2a4h n LEU 113 Cb 0.72 0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 42.12 2a4h n LEU 113 CO -0.17 -0.24 0.36 1.51 -1.33 0.00 0.00 177.39 177.52 2a4h s ASP 114 N -2.38 6.77 -0.11 -1.43 -4.77 -1.26 -4.01 116.67 109.48 2a4h s ASP 114 Ca 0.06 1.20 -0.29 0.00 -3.30 0.00 0.00 52.55 50.22 2a4h s ASP 114 Cb 0.00 -2.34 -0.06 0.00 -1.09 0.00 0.00 42.92 39.43 2a4h s ASP 114 CO 0.04 -0.14 1.94 -2.84 0.70 0.00 0.00 175.17 174.87 2a4h s PRO 115 N -2.79 3.76 0.05 2.11 0.02 -1.26 -4.66 135.00 132.24 2a4h s PRO 115 Ca 0.51 2.18 0.02 0.00 0.02 0.00 0.00 61.00 63.73 2a4h s PRO 115 Cb -0.11 -4.18 -0.03 0.00 0.02 0.00 0.00 34.50 30.20 2a4h s PRO 115 CO 0.19 -1.37 -0.07 0.08 -0.33 0.00 0.00 177.00 175.50 2a4h s VAL 116 N 5.75 0.51 0.15 3.83 1.01 -1.00 -0.65 120.40 130.01 2a4h s VAL 116 Ca 0.87 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 2a4h s VAL 116 Cb -0.35 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 2a4h s VAL 116 CO 0.36 -0.51 0.38 0.68 0.00 0.00 0.00 175.10 176.00 2a4h s VAL 117 N -1.92 5.17 -0.02 2.92 -7.23 -0.29 -2.74 120.40 116.29 2a4h s VAL 117 Ca -0.06 -0.04 -0.00 0.00 -1.81 0.00 0.00 61.98 60.07 2a4h s VAL 117 Cb -0.06 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.27 2a4h s VAL 117 CO -0.01 0.00 0.04 -0.54 -0.31 0.00 0.00 175.10 174.28 2a4h s LYS 118 N -2.77 -0.04 -0.17 4.82 -0.14 -0.28 -2.81 119.74 118.34 2a4h s LYS 118 Ca 0.41 0.22 -0.02 0.00 -1.36 0.00 0.00 55.97 55.22 2a4h s LYS 118 Cb -0.12 -0.28 -0.01 0.00 -1.68 0.00 0.00 37.83 35.74 2a4h s LYS 118 CO 0.26 -0.19 -0.10 -0.51 -0.76 0.00 0.00 175.35 174.04 2a4h s LEU 119 N 1.24 2.73 0.48 3.17 1.02 -0.92 -0.57 118.68 125.83 2a4h s LEU 119 Ca -0.07 -0.38 0.02 0.00 0.02 0.00 0.00 54.13 53.72 2a4h s LEU 119 Cb -0.13 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 2a4h s LEU 119 CO -0.03 0.07 0.06 -0.76 0.02 0.00 0.00 176.35 175.72 2a4h s LEU 120 N 0.90 2.12 -0.11 1.79 1.02 0.30 0.19 118.68 124.89 2a4h s LEU 120 Ca -0.02 -1.70 -0.05 0.00 0.02 0.00 0.00 54.13 52.37 2a4h s LEU 120 Cb -0.15 -0.43 -0.05 0.00 0.02 0.00 0.00 46.19 45.59 2a4h s LEU 120 CO -0.00 -0.94 -0.14 -0.67 0.02 0.00 0.00 176.35 174.62 2a4h n ASP 121 N -1.36 0.95 0.01 2.29 2.03 -1.26 -2.36 116.55 116.85 2a4h n ASP 121 Ca -0.14 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2a4h n ASP 121 Cb 0.66 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 -3.47 0.00 -0.03 -1.67 0.00 -1.26 -4.38 120.51 109.70 2a4h n ALA 122 Ca -0.22 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 2a4h n ALA 122 Cb 0.66 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.01 2a4h n ALA 122 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2a4h h SER 123 N 0.00 0.09 0.00 0.00 0.87 -2.02 -3.46 113.55 109.03 2a4h h SER 123 Ca 0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 2a4h h SER 123 Cb 0.00 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2a4h h SER 123 CO 0.00 0.74 0.00 0.61 -0.53 0.00 0.00 176.83 177.65 2a4h n GLY 124 N 0.71 0.00 0.05 5.77 0.00 -1.26 -5.05 105.19 105.41 2a4h n GLY 124 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.01 -4.39 1.61 1.63 -1.92 -3.49 116.57 110.00 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 0.30 -0.08 0.28 -3.45 0.00 0.00 179.45 176.50 2a4h n VAL 126 N -4.95 -6.72 -0.33 2.00 0.31 -1.24 -4.89 118.33 102.51 2a4h n VAL 126 Ca -0.08 0.04 0.21 0.00 -0.01 0.00 0.00 64.34 64.51 2a4h n VAL 126 Cb 0.17 -5.66 0.47 0.00 -0.91 0.00 0.00 33.84 27.92 2a4h n VAL 126 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2a4h h GLN 127 N 0.52 0.44 -3.38 5.55 5.75 0.18 -3.44 115.11 120.73 2a4h h GLN 127 Ca 0.00 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2a4h h GLN 127 Cb 0.89 -0.10 -0.12 0.00 1.07 0.00 0.00 27.48 29.22 2a4h h GLN 127 CO 0.16 0.29 -0.04 -1.21 -2.65 0.00 0.00 178.83 175.38 2a4h s GLU 128 N -5.56 1.23 -0.27 1.69 2.02 -1.12 -4.99 118.70 111.70 2a4h s GLU 128 Ca -0.09 -0.81 -0.01 0.00 0.02 0.00 0.00 54.97 54.08 2a4h s GLU 128 Cb 0.26 0.49 0.15 0.00 0.10 0.00 0.00 34.13 35.13 2a4h s GLU 128 CO 0.80 -0.50 0.42 0.99 0.02 0.00 0.00 175.26 176.99 2a4h s THR 129 N -3.85 -0.68 -0.11 3.63 2.01 -1.26 -2.17 115.64 113.21 2a4h s THR 129 Ca 0.07 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 61.97 2a4h s THR 129 Cb 0.01 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.62 2a4h s THR 129 CO -0.07 -0.16 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.73 2a4h s LEU 130 N 2.60 2.03 0.44 4.42 1.43 -1.12 -4.94 118.68 123.53 2a4h s LEU 130 Ca 0.13 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.43 2a4h s LEU 130 Cb -0.14 -1.35 -0.08 0.00 0.03 0.00 0.00 46.19 44.65 2a4h s LEU 130 CO -0.22 0.10 1.28 -0.55 0.23 0.00 0.00 176.35 177.20 2a4h s SER 131 N 0.62 6.12 -0.36 2.29 0.15 -1.26 -1.13 113.70 120.13 2a4h s SER 131 Ca -0.13 2.59 0.14 0.00 0.70 0.00 0.00 55.95 59.25 2a4h s SER 131 Cb -0.17 -2.63 0.45 0.00 -1.71 0.00 0.00 66.02 61.96 2a4h s SER 131 CO 0.03 -0.97 1.01 2.30 1.20 0.00 0.00 173.24 176.80 2a4h n ILE 132 N -0.19 1.47 0.18 6.45 -5.35 0.17 -4.85 119.36 117.25 2a4h n ILE 132 Ca 0.06 -3.70 0.05 0.00 -0.27 0.00 0.00 62.75 58.89 2a4h n ILE 132 Cb 0.45 0.00 0.31 0.00 -1.74 0.00 0.00 39.64 38.66 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 2.88 0.88 0.00 7.28 1.35 -1.94 -3.44 112.91 119.92 2a4h h THR 133 Ca 0.04 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 2a4h h THR 133 Cb 1.09 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2a4h h THR 133 CO 0.62 0.38 0.00 0.29 -0.25 0.00 0.00 175.52 176.56 2a4h n LYS 134 N -3.50 0.00 0.00 4.72 5.02 -1.26 -4.79 118.16 118.35 2a4h n LYS 134 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2a4h n LYS 134 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 -2.75 0.00 0.00 2.13 7.02 -1.26 -3.84 117.44 118.74 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 0.37 0.00 -0.37 -0.99 6.94 -1.26 -5.16 115.26 114.78 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 -0.01 0.00 0.00 5.53 5.66 -1.25 -4.60 114.28 119.61 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 -3.49 0.00 0.05 1.09 9.92 -1.26 -3.12 116.55 119.74 2a4h n ASP 138 Ca 0.00 0.00 0.22 0.00 -0.53 0.00 0.00 54.79 54.48 2a4h n ASP 138 Cb 0.00 0.00 0.71 0.00 -0.64 0.00 0.00 41.12 41.19 2a4h n ASP 138 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2a4h h THR 139 N 0.00 0.31 -0.49 -3.53 2.02 -2.00 0.42 112.91 109.64 2a4h h THR 139 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2a4h h THR 139 Cb 0.00 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2a4h h THR 139 CO 0.00 0.00 0.31 1.62 0.37 0.00 0.00 175.52 177.82 2a4h h VAL 140 N 0.00 1.08 -0.96 3.16 3.04 -1.89 0.34 116.25 121.03 2a4h h VAL 140 Ca 0.24 -0.21 0.16 0.00 -1.01 0.00 0.00 66.70 65.88 2a4h h VAL 140 Cb 1.33 0.41 -0.08 0.00 -2.01 0.00 0.00 31.29 30.94 2a4h h VAL 140 CO -0.00 0.11 0.61 -0.08 -1.01 0.00 0.00 177.57 177.20 2a4h h GLU 141 N 0.62 0.72 -0.02 4.17 4.81 -0.47 0.66 114.58 125.07 2a4h h GLU 141 Ca 0.19 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 2a4h h GLU 141 Cb -0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2a4h h GLU 141 CO -0.07 0.48 -0.64 1.49 -0.73 0.00 0.00 179.01 179.54 2a4h h GLU 142 N 0.74 0.09 -0.84 1.92 4.81 -1.07 -3.09 114.58 117.14 2a4h h GLU 142 Ca 0.51 -0.07 0.21 0.00 -0.13 0.00 0.00 59.36 59.88 2a4h h GLU 142 Cb 0.79 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.05 2a4h h GLU 142 CO -0.27 0.70 0.21 0.35 -0.73 0.00 0.00 179.01 179.27 2a4h h PHE 143 N 0.07 0.31 0.13 0.92 3.57 0.42 0.21 116.94 122.57 2a4h h PHE 143 Ca -0.01 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2a4h h PHE 143 Cb 1.14 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 2a4h h PHE 143 CO 0.01 -0.18 -0.06 0.74 -2.23 0.00 0.00 178.31 176.59 2a4h h PHE 144 N 0.22 -0.16 -1.06 0.41 0.04 -1.48 -1.62 116.94 113.30 2a4h h PHE 144 Ca 0.51 -0.00 0.31 0.00 2.80 0.00 0.00 57.97 61.59 2a4h h PHE 144 Cb 0.99 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 39.15 2a4h h PHE 144 CO -0.28 -0.10 0.98 1.05 -0.60 0.00 0.00 178.31 179.36 2a4h h GLU 145 N -0.64 0.00 0.00 1.51 -0.00 -1.43 1.93 114.58 115.95 2a4h h GLU 145 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.11 2a4h h GLU 145 Cb 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.84 2a4h h GLU 145 CO 0.03 0.00 -1.58 0.25 -0.00 0.00 0.00 179.01 177.71 2a4h n THR 146 N -3.67 1.42 0.92 -1.06 -2.24 0.73 -4.10 114.28 106.29 2a4h n THR 146 Ca 0.23 -0.75 0.11 0.00 -2.27 0.00 0.00 64.05 61.37 2a4h n THR 146 Cb 1.32 -0.91 0.03 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.97 0.00 -3.28 4.78 8.25 0.42 -4.73 115.22 117.68 2a4h n HIS 147 Ca -0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.11 2a4h n HIS 147 Cb 0.96 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.11 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 -2.16 2.99 -0.03 2.41 1.43 0.55 0.17 118.68 124.04 2a4h s LEU 148 Ca 0.20 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 2a4h s LEU 148 Cb 0.17 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.91 2a4h s LEU 148 CO 0.43 -1.27 -0.02 0.00 0.23 0.00 0.00 176.35 175.72 2a4h s ALA 149 N -2.70 0.46 -0.09 4.21 0.00 -1.26 -4.69 121.76 117.69 2a4h s ALA 149 Ca 0.54 0.05 0.25 0.00 0.00 0.00 0.00 51.96 52.80 2a4h s ALA 149 Cb -0.05 -0.33 0.75 0.00 0.00 0.00 0.00 23.12 23.50 2a4h s ALA 149 CO 0.34 -0.02 1.75 0.87 0.00 0.00 0.00 175.76 178.70 2a4h h LYS 150 N 7.08 0.00 -1.78 0.00 1.79 -1.96 -3.40 116.57 118.32 2a4h h LYS 150 Ca -0.40 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.27 2a4h h LYS 150 Cb 1.15 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.62 2a4h h LYS 150 CO 0.48 0.13 0.69 0.34 -1.08 0.00 0.00 179.45 180.02 2a4h s ASP 151 N -6.09 -0.22 0.06 0.86 2.15 -1.26 -4.93 116.67 107.24 2a4h s ASP 151 Ca 0.03 -0.00 -0.15 0.00 0.43 0.00 0.00 52.55 52.87 2a4h s ASP 151 Cb 0.08 0.23 0.02 0.00 -0.30 0.00 0.00 42.92 42.96 2a4h s ASP 151 CO 0.64 -0.38 0.33 -0.83 -0.17 0.00 0.00 175.17 174.76 2a4h s GLY 152 N -2.29 -0.16 -0.04 2.66 0.00 -1.26 -5.06 107.32 101.16 2a4h s GLY 152 Ca 0.08 -0.01 0.23 0.00 0.00 0.00 0.00 44.72 45.02 2a4h s GLY 152 CO -0.06 -0.24 1.18 0.00 0.00 0.00 0.00 173.10 173.98 2a4h n ALA 153 N 0.33 2.59 0.00 3.20 0.00 -1.26 -5.10 120.51 120.28 2a4h n ALA 153 Ca -0.18 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.74 2a4h n ALA 153 Cb 0.61 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 0.20 0.63 5.00 0.00 0.00 -1.26 -5.01 105.19 104.75 2a4h n GLY 154 Ca 0.08 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2a4h n GLY 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a4h n LYS 155 N 0.00 0.00 -3.11 1.61 5.02 -1.26 -4.49 118.16 115.93 2a4h n LYS 155 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 2a4h n LYS 155 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2a4h n LYS 155 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2a4h n ASN 156 N 1.76 5.59 -2.97 4.39 2.85 -1.26 -4.98 115.26 120.64 2a4h n ASN 156 Ca 0.00 -3.10 -0.11 0.00 -0.11 0.00 0.00 54.58 51.26 2a4h n ASN 156 Cb 0.00 -1.41 -0.02 0.00 1.24 0.00 0.00 39.78 39.59 2a4h n ASN 156 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2a4h n SER 157 N 3.20 2.18 -3.46 1.20 2.88 -1.26 -5.13 113.62 113.23 2a4h n SER 157 Ca 0.29 -1.75 -0.24 0.00 -1.33 0.00 0.00 58.87 55.84 2a4h n SER 157 Cb 0.39 0.08 -0.12 0.00 -0.75 0.00 0.00 64.21 63.80 2a4h n SER 157 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2a4h s TYR 158 N -1.40 0.14 0.01 0.66 6.14 -1.26 -5.12 117.35 116.52 2a4h s TYR 158 Ca 0.04 -0.89 0.00 0.00 0.64 0.00 0.00 57.07 56.86 2a4h s TYR 158 Cb -0.00 -0.72 0.00 0.00 0.42 0.00 0.00 41.96 41.65 2a4h s TYR 158 CO 0.03 -0.87 0.00 0.43 0.64 0.00 0.00 175.55 175.77 2a4h n SER 159 N 4.81 -4.14 -3.72 4.32 7.64 -1.26 -4.76 113.62 116.52 2a4h n SER 159 Ca 0.02 0.05 -0.22 0.00 1.01 0.00 0.00 58.87 59.73 2a4h n SER 159 Cb 0.42 -0.15 0.16 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.43 0.00 -2.93 0.44 0.24 -1.26 -4.87 118.33 108.52 2a4h n VAL 160 Ca 0.00 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.34 61.78 2a4h n VAL 160 Cb 0.02 -0.53 -0.05 0.00 -1.47 0.00 0.00 33.84 31.81 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 -2.11 4.56 0.41 3.34 1.01 -1.26 -5.03 120.40 121.33 2a4h s VAL 161 Ca 0.42 0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.45 2a4h s VAL 161 Cb -0.07 -4.41 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 2a4h s VAL 161 CO 0.42 -0.88 1.31 -1.83 0.00 0.00 0.00 175.10 174.12 2a4h s GLU 162 N 3.50 3.96 -1.05 2.72 -1.05 -1.26 -4.91 118.70 120.61 2a4h s GLU 162 Ca 0.29 2.18 -0.23 0.00 -0.15 0.00 0.00 54.97 57.06 2a4h s GLU 162 Cb -0.13 -2.76 0.02 0.00 -0.44 0.00 0.00 34.13 30.83 2a4h s GLU 162 CO 0.21 -0.51 1.65 0.34 0.95 0.00 0.00 175.26 177.89 2a4h s ASP 163 N -0.72 6.13 -0.08 0.83 2.15 -1.26 -4.64 116.67 119.09 2a4h s ASP 163 Ca 0.57 -1.45 0.12 0.00 0.43 0.00 0.00 52.55 52.22 2a4h s ASP 163 Cb -0.38 -2.57 0.18 0.00 -0.30 0.00 0.00 42.92 39.84 2a4h s ASP 163 CO 0.49 -1.85 1.07 0.00 -0.17 0.00 0.00 175.17 174.71 2a4h n ALA 164 N 10.39 2.12 -2.75 3.66 0.00 -1.26 -5.06 120.51 127.61 2a4h n ALA 164 Ca 0.38 -1.98 -0.25 0.00 0.00 0.00 0.00 53.44 51.60 2a4h n ALA 164 Cb 0.49 -0.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 2a4h n ALA 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a4h s ASP 165 N -2.11 5.20 0.00 0.00 1.01 -1.26 -4.71 116.67 114.80 2a4h s ASP 165 Ca 0.20 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.15 2a4h s ASP 165 Cb 0.17 -1.24 0.00 0.00 1.01 0.00 0.00 42.92 42.86 2a4h s ASP 165 CO 0.02 0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.04 2a4h n GLY 166 N -0.61 1.32 2.25 0.21 0.00 -1.26 -5.01 105.19 102.08 2a4h n GLY 166 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2a4h n GLY 166 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2a4h n ASP 167 N 0.00 3.21 -4.21 1.61 2.03 -1.26 -5.07 116.55 112.85 2a4h n ASP 167 Ca 0.00 -2.98 -0.27 0.00 0.52 0.00 0.00 54.79 52.06 2a4h n ASP 167 Cb 0.00 -0.41 -0.06 0.00 -0.72 0.00 0.00 41.12 39.94 2a4h n ASP 167 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2a4h n ASP 168 N -0.63 2.92 -3.48 1.67 5.75 -1.26 -5.17 116.55 116.35 2a4h n ASP 168 Ca 0.26 -2.93 -0.13 0.00 -0.01 0.00 0.00 54.79 51.97 2a4h n ASP 168 Cb 0.89 0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 41.35 2a4h n ASP 168 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2a4h s ASP 169 N -3.39 -0.55 -0.39 -1.12 1.11 -1.26 -5.10 116.67 105.97 2a4h s ASP 169 Ca 0.03 0.16 0.09 0.00 0.18 0.00 0.00 52.55 53.01 2a4h s ASP 169 Cb 0.00 0.56 0.29 0.00 1.07 0.00 0.00 42.92 44.84 2a4h s ASP 169 CO 0.02 -0.85 0.62 -0.62 1.18 0.00 0.00 175.17 175.52 2a4h n GLU 170 N 0.02 0.81 0.00 8.23 1.02 -1.26 -5.00 120.64 124.47 2a4h n GLU 170 Ca -0.18 -3.21 0.00 0.00 -0.02 0.00 0.00 57.16 53.75 2a4h n GLU 170 Cb 0.63 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2a4h n GLU 170 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2a4h n ASP 171 N 0.99 0.00 0.00 1.62 2.03 -1.26 -5.06 116.55 114.87 2a4h n ASP 171 Ca 0.22 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.88 2a4h n ASP 171 Cb 0.58 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 2a4h n ASP 171 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a4h n TYR 172 N -1.27 0.00 0.02 -0.67 9.36 -1.26 -5.10 117.16 118.24 2a4h n TYR 172 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 2a4h n TYR 172 Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 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 -0.06 -9.11 2.98 3.38 -2.03 -3.46 115.31 107.02 2a4h h LEU 173 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 2a4h h LEU 173 Cb 0.00 0.02 -0.19 0.00 0.09 0.00 0.00 40.66 40.58 2a4h h LEU 173 CO 0.00 0.02 -0.70 -0.13 0.09 0.00 0.00 178.44 177.71 2a4h s ARG 174 N -1.83 2.68 -0.36 1.13 3.00 -1.26 -5.08 118.95 117.22 2a4h s ARG 174 Ca -0.01 -0.60 0.01 0.00 0.00 0.00 0.00 55.73 55.12 2a4h s ARG 174 Cb 0.00 -2.55 0.14 0.00 0.00 0.00 0.00 34.95 32.55 2a4h s ARG 174 CO 0.03 0.65 0.23 0.99 0.00 0.00 0.00 175.30 177.20 2a4h s THR 175 N -0.85 0.21 -0.29 0.02 2.01 -1.26 -5.09 115.64 110.39 2a4h s THR 175 Ca 0.13 -1.87 -0.11 0.00 0.31 0.00 0.00 61.69 60.16 2a4h s THR 175 Cb -0.11 -1.17 0.12 0.00 0.01 0.00 0.00 72.50 71.36 2a4h s THR 175 CO 0.03 -1.02 0.64 0.54 -0.69 0.00 0.00 174.62 174.12 2a4h s ASN 176 N 0.91 -1.07 -1.37 3.53 4.22 -1.26 -5.07 114.94 114.83 2a4h s ASN 176 Ca 0.20 1.53 -0.13 0.00 -2.14 0.00 0.00 52.86 52.32 2a4h s ASN 176 Cb -0.19 2.13 0.09 0.00 1.28 0.00 0.00 41.25 44.56 2a4h s ASN 176 CO -0.02 -0.22 2.00 0.54 -2.04 0.00 0.00 177.10 177.36 2a4h n ARG 177 N 5.31 3.15 0.00 3.55 1.74 -1.26 -5.30 116.66 123.84 2a4h n ARG 177 Ca -0.13 -3.04 0.11 0.00 -0.77 0.00 0.00 57.85 54.02 2a4h n ARG 177 Cb 0.50 -3.20 0.09 0.00 -1.02 0.00 0.00 32.46 28.83 2a4h n ARG 177 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22