#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 -2.45 0.05 3.17 0.00 -1.26 -4.89 120.51 115.12 2a4h n ALA 54 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2a4h n ALA 54 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 19.45 15.74 2a4h n ALA 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2a4h n SER 55 N -2.74 0.04 -2.76 0.00 2.88 -1.26 -5.15 113.62 104.63 2a4h n SER 55 Ca -0.13 0.16 -0.12 0.00 -1.33 0.00 0.00 58.87 57.45 2a4h n SER 55 Cb 0.61 0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 64.13 2a4h n SER 55 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2a4h n HIS 56 N -2.87 0.22 -0.66 0.66 8.25 -1.26 -5.14 115.22 114.43 2a4h n HIS 56 Ca 0.00 -1.13 -0.31 0.00 -0.26 0.00 0.00 57.72 56.01 2a4h n HIS 56 Cb 0.00 -0.05 0.17 0.00 1.12 0.00 0.00 29.99 31.23 2a4h n HIS 56 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2a4h n HIS 57 N -0.46 -1.50 -3.46 4.41 -0.00 -1.26 -5.03 115.22 107.92 2a4h n HIS 57 Ca -0.05 0.12 -0.14 0.00 -0.00 0.00 0.00 57.72 57.65 2a4h n HIS 57 Cb 0.27 -1.54 -0.11 0.00 -0.00 0.00 0.00 29.99 28.61 2a4h n HIS 57 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2a4h s HIS 58 N -2.22 -0.50 -0.88 -1.40 -0.00 -1.26 -5.05 115.29 103.99 2a4h s HIS 58 Ca 0.55 0.55 -0.00 0.00 -0.00 0.00 0.00 55.06 56.16 2a4h s HIS 58 Cb -0.11 -0.17 0.34 0.00 -0.00 0.00 0.00 32.58 32.64 2a4h s HIS 58 CO 0.64 -0.61 1.77 -2.39 -0.00 0.00 0.00 174.74 174.15 2a4h n HIS 59 N 5.34 3.01 0.00 0.38 1.44 -1.26 -4.41 115.22 119.72 2a4h n HIS 59 Ca -0.05 -2.64 0.00 0.00 -2.01 0.00 0.00 57.72 53.02 2a4h n HIS 59 Cb 0.50 -1.05 0.00 0.00 0.12 0.00 0.00 29.99 29.56 2a4h n HIS 59 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2a4h n HIS 60 N -0.29 -0.64 -3.21 -1.40 -0.00 -1.26 -5.12 115.22 103.30 2a4h n HIS 60 Ca 0.48 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.81 2a4h n HIS 60 Cb 0.29 0.13 -0.06 0.00 -0.00 0.00 0.00 29.99 30.35 2a4h n HIS 60 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2a4h s HIS 61 N -1.50 3.51 -0.12 -1.40 4.02 -1.26 -4.95 115.29 113.58 2a4h s HIS 61 Ca 0.00 0.98 0.20 0.00 1.02 0.00 0.00 55.06 57.26 2a4h s HIS 61 Cb 0.00 -2.66 -0.29 0.00 -1.02 0.00 0.00 32.58 28.61 2a4h s HIS 61 CO 0.00 0.09 0.27 1.28 1.02 0.00 0.00 174.74 177.40 2a4h n LEU 62 N 3.93 0.01 -4.40 0.89 4.32 -1.26 -4.91 117.00 115.57 2a4h n LEU 62 Ca -0.05 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.62 2a4h n LEU 62 Cb 0.51 0.25 -0.14 0.00 -1.62 0.00 0.00 43.42 42.43 2a4h n LEU 62 CO 0.44 0.26 -0.45 -1.81 -1.22 0.00 0.00 177.39 174.61 2a4h s ASP 63 N -5.02 4.03 -0.52 -1.43 1.01 -1.26 -5.04 116.67 108.43 2a4h s ASP 63 Ca -0.09 -0.29 0.06 0.00 0.71 0.00 0.00 52.55 52.94 2a4h s ASP 63 Cb 0.10 -1.44 0.35 0.00 1.01 0.00 0.00 42.92 42.95 2a4h s ASP 63 CO 0.87 0.21 0.93 1.67 0.21 0.00 0.00 175.17 179.06 2a4h n GLN 64 N 3.24 2.85 -2.08 8.23 -0.06 -1.26 -5.08 117.38 123.22 2a4h n GLN 64 Ca -0.18 -4.55 -0.29 0.00 -2.00 0.00 0.00 57.00 49.99 2a4h n GLN 64 Cb 0.53 -2.13 0.04 0.00 -4.06 0.00 0.00 30.24 24.62 2a4h n GLN 64 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2a4h s GLN 65 N -3.31 2.81 0.00 3.69 -0.21 -1.26 -5.07 119.66 116.30 2a4h s GLN 65 Ca 0.47 0.25 0.00 0.00 0.02 0.00 0.00 55.36 56.10 2a4h s GLN 65 Cb 0.31 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 32.21 2a4h s GLN 65 CO -0.13 -0.95 0.00 -0.35 -2.12 0.00 0.00 175.29 171.74 2a4h n PRO 66 N -2.87 -1.50 -2.68 2.91 -0.04 -1.26 -5.05 135.00 124.51 2a4h n PRO 66 Ca 0.06 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.47 2a4h n PRO 66 Cb 0.58 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.13 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 -2.80 -2.64 -2.32 0.55 0.00 -1.26 -5.16 120.51 106.88 2a4h n ALA 67 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 53.44 52.59 2a4h n ALA 67 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 16.82 2a4h n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a4h s ALA 68 N 0.15 4.28 1.05 0.00 0.00 -1.26 -5.09 121.76 120.89 2a4h s ALA 68 Ca 0.23 -1.49 -0.15 0.00 0.00 0.00 0.00 51.96 50.55 2a4h s ALA 68 Cb 0.27 -1.71 0.18 0.00 0.00 0.00 0.00 23.12 21.87 2a4h s ALA 68 CO -0.15 -0.15 0.33 0.00 0.00 0.00 0.00 175.76 175.80 2a4h n GLN 69 N -1.75 -2.42 -3.69 0.00 0.00 -1.26 -5.03 117.38 103.23 2a4h n GLN 69 Ca 0.02 -0.72 -0.16 0.00 0.00 0.00 0.00 57.00 56.15 2a4h n GLN 69 Cb 0.58 -1.53 -0.15 0.00 0.00 0.00 0.00 30.24 29.15 2a4h n GLN 69 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2a4h s ARG 70 N -3.59 0.05 0.39 2.61 1.70 -1.26 -5.16 118.95 113.69 2a4h s ARG 70 Ca 0.40 0.53 0.08 0.00 -0.47 0.00 0.00 55.73 56.27 2a4h s ARG 70 Cb -0.07 -0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.05 2a4h s ARG 70 CO 0.38 -0.27 0.39 0.95 -1.08 0.00 0.00 175.30 175.67 2a4h s THR 71 N 2.03 3.01 0.14 4.99 -4.23 -1.26 -4.16 115.64 116.16 2a4h s THR 71 Ca 0.00 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 2a4h s THR 71 Cb -0.12 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 2a4h s THR 71 CO -0.06 -0.05 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.59 2a4h s TYR 72 N -2.39 1.16 0.02 3.99 1.51 0.13 -4.95 117.35 116.82 2a4h s TYR 72 Ca 0.47 -0.86 0.10 0.00 -1.01 0.00 0.00 57.07 55.77 2a4h s TYR 72 Cb -0.05 -0.63 -0.19 0.00 -0.11 0.00 0.00 41.96 40.98 2a4h s TYR 72 CO 0.28 -0.05 1.05 0.00 -1.11 0.00 0.00 175.55 175.72 2a4h h ALA 73 N 2.80 0.55 -2.79 3.71 0.00 -1.84 -3.37 119.26 118.32 2a4h h ALA 73 Ca -0.36 -1.06 -0.01 0.00 0.00 0.00 0.00 54.91 53.47 2a4h h ALA 73 Cb 1.19 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 2a4h h ALA 73 CO 0.64 1.29 0.23 0.21 0.00 0.00 0.00 179.25 181.62 2a4h s LYS 74 N -2.71 1.20 0.09 0.00 2.20 -0.40 -4.85 119.74 115.27 2a4h s LYS 74 Ca -0.01 -0.35 -0.25 0.00 -0.36 0.00 0.00 55.97 55.00 2a4h s LYS 74 Cb 0.09 0.56 0.08 0.00 -1.51 0.00 0.00 37.83 37.05 2a4h s LYS 74 CO 0.81 -0.51 0.70 0.00 -0.36 0.00 0.00 175.35 176.00 2a4h s ALA 75 N -3.32 -1.68 -0.09 3.13 0.00 -0.63 0.61 121.76 119.77 2a4h s ALA 75 Ca -0.00 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 2a4h s ALA 75 Cb -0.01 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.81 2a4h s ALA 75 CO -0.09 -0.71 0.20 0.42 0.00 0.00 0.00 175.76 175.57 2a4h s ILE 76 N -3.34 -0.10 -1.03 0.00 1.01 0.43 -1.50 121.20 116.68 2a4h s ILE 76 Ca 0.01 0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 2a4h s ILE 76 Cb -0.01 -0.32 0.23 0.00 0.01 0.00 0.00 42.46 42.38 2a4h s ILE 76 CO -0.10 0.08 1.07 -0.22 0.00 0.00 0.00 174.94 175.77 2a4h s LEU 77 N 1.43 6.16 -0.20 2.97 2.96 -1.26 -1.08 118.68 129.66 2a4h s LEU 77 Ca -0.07 -3.12 -0.27 0.00 -0.22 0.00 0.00 54.13 50.45 2a4h s LEU 77 Cb -0.11 -2.26 -0.00 0.00 0.50 0.00 0.00 46.19 44.32 2a4h s LEU 77 CO -0.07 -0.50 0.93 -1.61 -1.32 0.00 0.00 176.35 173.78 2a4h s GLU 78 N -0.10 4.27 0.17 1.98 2.02 -1.05 -1.98 118.70 124.02 2a4h s GLU 78 Ca 0.29 1.17 -0.05 0.00 0.02 0.00 0.00 54.97 56.40 2a4h s GLU 78 Cb -0.08 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 2a4h s GLU 78 CO -0.07 -0.48 0.20 0.14 0.02 0.00 0.00 175.26 175.07 2a4h s VAL 79 N 2.67 0.05 -0.00 2.63 -7.23 -0.77 -2.28 120.40 115.47 2a4h s VAL 79 Ca 0.41 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 2a4h s VAL 79 Cb -0.16 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.69 2a4h s VAL 79 CO 0.10 -0.25 0.69 0.00 -0.31 0.00 0.00 175.10 175.33 2a4h n THR 81 N -0.19 0.00 0.16 0.00 -2.24 -1.26 -4.81 114.28 105.94 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 0.10 -1.31 0.19 0.00 -2.10 0.00 0.00 70.33 67.21 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 -3.44 1.81 0.00 0.00 -0.00 -1.26 -4.25 118.16 111.02 2a4h n LYS 83 Ca 0.00 -0.92 0.23 0.00 -0.00 0.00 0.00 58.31 57.63 2a4h n LYS 83 Cb 0.62 -1.39 0.71 0.00 -0.00 0.00 0.00 35.03 34.98 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 1.36 0.00 0.00 5.58 3.57 -1.76 0.97 116.94 126.66 2a4h h PHE 84 Ca 0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2a4h h PHE 84 Cb 0.56 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2a4h h PHE 84 CO 0.23 0.00 -0.68 -0.09 -2.23 0.00 0.00 178.31 175.54 2a4h h ARG 85 N 0.00 0.00 0.21 1.11 9.65 -1.87 -3.25 114.38 120.22 2a4h h ARG 85 Ca 0.28 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.15 2a4h h ARG 85 Cb 1.39 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.97 2a4h h ARG 85 CO -0.00 0.61 -0.10 0.00 2.80 0.00 0.00 179.97 183.27 2a4h h ALA 86 N -0.61 -0.28 -1.85 2.80 0.00 -1.68 -3.37 119.26 114.28 2a4h h ALA 86 Ca -0.15 -0.21 -0.69 0.00 0.00 0.00 0.00 54.91 53.86 2a4h h ALA 86 Cb 0.88 0.11 -0.35 0.00 0.00 0.00 0.00 17.79 18.42 2a4h h ALA 86 CO -0.09 -0.37 0.09 0.66 0.00 0.00 0.00 179.25 179.54 2a4h n TYR 87 N -4.98 3.47 0.30 0.00 4.01 0.33 -4.82 117.16 115.47 2a4h n TYR 87 Ca -0.08 -3.38 0.13 0.00 -0.16 0.00 0.00 57.90 54.42 2a4h n TYR 87 Cb 0.26 -0.80 0.63 0.00 -0.31 0.00 0.00 39.34 39.11 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 3.61 0.00 -0.15 -0.72 0.13 -1.58 -2.71 132.00 130.58 2a4h h PRO 88 Ca 0.30 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.21 2a4h h PRO 88 Cb 0.44 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.58 2a4h h PRO 88 CO 0.98 0.00 -0.75 1.96 -0.23 0.00 0.00 178.00 179.96 2a4h h GLN 89 N 0.00 0.77 0.00 0.86 4.20 -1.89 -2.96 115.11 116.10 2a4h h GLN 89 Ca 0.00 -0.63 0.00 0.00 0.06 0.00 0.00 58.65 58.08 2a4h h GLN 89 Cb 0.23 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2a4h h GLN 89 CO 0.00 1.24 0.00 -0.89 -0.67 0.00 0.00 178.83 178.51 2a4h n ILE 90 N -3.97 0.00 -0.21 2.54 5.41 -1.02 -1.63 119.36 120.48 2a4h n ILE 90 Ca -0.08 0.94 0.31 0.00 1.00 0.00 0.00 62.75 64.93 2a4h n ILE 90 Cb 0.73 -1.71 0.65 0.00 -0.71 0.00 0.00 39.64 38.60 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 0.07 0.38 4.15 -1.74 0.63 115.11 118.61 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 -0.05 0.00 0.21 0.00 0.00 27.48 27.64 2a4h h GLN 91 CO 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 178.83 176.48 2a4h h ALA 92 N 1.08 -0.72 0.00 3.38 0.00 -1.13 0.39 119.26 122.27 2a4h h ALA 92 Ca 0.48 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 2a4h h ALA 92 Cb 2.34 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 20.85 2a4h h ALA 92 CO -0.01 -0.98 -0.31 0.27 0.00 0.00 0.00 179.25 178.23 2a4h h PHE 93 N -0.63 0.00 -0.49 0.00 -5.15 -0.32 0.24 116.94 110.59 2a4h h PHE 93 Ca 0.03 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.72 2a4h h PHE 93 Cb 0.67 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.82 2a4h h PHE 93 CO -0.39 0.31 -0.01 0.82 -2.00 0.00 0.00 178.31 177.03 2a4h h ILE 94 N 0.00 1.25 0.00 0.88 2.04 -0.74 -2.88 117.51 118.06 2a4h h ILE 94 Ca -0.00 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2a4h h ILE 94 Cb 0.60 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2a4h h ILE 94 CO 0.04 0.37 -1.05 0.00 0.00 0.00 0.00 178.15 177.50 2a4h n GLN 95 N -4.21 0.28 -0.34 2.37 6.02 0.12 -4.28 117.38 117.35 2a4h n GLN 95 Ca 0.02 -0.01 0.16 0.00 -0.01 0.00 0.00 57.00 57.16 2a4h n GLN 95 Cb 0.31 -1.58 0.36 0.00 1.02 0.00 0.00 30.24 30.35 2a4h n GLN 95 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2a4h h SER 96 N 0.00 0.66 0.00 1.08 0.87 -0.29 -3.45 113.55 112.42 2a4h h SER 96 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2a4h h SER 96 Cb 0.72 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2a4h h SER 96 CO 0.00 0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.04 2a4h n GLY 97 N -1.32 1.94 0.24 5.77 0.00 -1.26 -5.00 105.19 105.57 2a4h n GLY 97 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.78 0.00 1.61 -0.00 -1.88 -2.66 114.38 112.23 2a4h h ARG 98 Ca 0.00 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.98 59.33 2a4h h ARG 98 Cb 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 29.97 29.84 2a4h h ARG 98 CO 0.00 0.68 -0.09 -1.35 0.00 0.00 0.00 179.97 179.20 2a4h h PRO 99 N 0.71 0.00 -0.18 0.04 0.11 -1.84 -1.61 132.00 129.24 2a4h h PRO 99 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2a4h h PRO 99 Cb 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 2a4h h PRO 99 CO -0.02 0.09 0.12 0.00 -0.21 0.00 0.00 178.00 177.98 2a4h h ALA 100 N 1.91 1.87 0.00 -0.75 0.00 -1.78 0.80 119.26 121.30 2a4h h ALA 100 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2a4h h ALA 100 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2a4h h ALA 100 CO 0.01 0.12 0.00 1.63 0.00 0.00 0.00 179.25 181.01 2a4h n LYS 101 N -4.51 0.22 -3.08 0.00 5.02 -0.61 -4.56 118.16 110.65 2a4h n LYS 101 Ca -0.00 0.27 -0.44 0.00 -2.02 0.00 0.00 58.31 56.11 2a4h n LYS 101 Cb 0.08 -1.81 -0.04 0.00 -0.02 0.00 0.00 35.03 33.24 2a4h n LYS 101 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2a4h s PHE 102 N -3.16 2.97 0.06 2.13 0.08 0.27 -4.93 117.98 115.40 2a4h s PHE 102 Ca 0.09 -0.93 -0.24 0.00 0.12 0.00 0.00 56.93 55.96 2a4h s PHE 102 Cb 0.12 -4.06 -0.17 0.00 -0.57 0.00 0.00 43.02 38.34 2a4h s PHE 102 CO 0.52 -1.34 1.58 -1.00 -0.10 0.00 0.00 175.22 174.89 2a4h h PRO 103 N 9.21 -0.07 -0.58 0.24 0.13 -1.81 -2.55 132.00 136.57 2a4h h PRO 103 Ca -0.28 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.02 2a4h h PRO 103 Cb 1.08 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2a4h h PRO 103 CO 1.11 0.09 0.50 -0.91 -0.23 0.00 0.00 178.00 178.55 2a4h h ASN 104 N -0.22 0.00 -3.42 1.44 4.21 -1.89 -3.40 115.58 112.30 2a4h h ASN 104 Ca -0.01 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.96 2a4h h ASN 104 Cb 0.19 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.35 2a4h h ASN 104 CO 0.01 0.00 0.18 -0.22 -1.29 0.00 0.00 177.43 176.11 2a4h s LEU 105 N -8.02 4.42 -0.19 1.61 2.96 -0.96 -1.61 118.68 116.88 2a4h s LEU 105 Ca -0.05 1.45 -0.20 0.00 -0.22 0.00 0.00 54.13 55.11 2a4h s LEU 105 Cb 0.18 -3.26 -0.17 0.00 0.50 0.00 0.00 46.19 43.44 2a4h s LEU 105 CO 0.65 -0.04 0.19 -0.61 -1.32 0.00 0.00 176.35 175.22 2a4h h GLN 106 N 5.95 0.00 -5.02 1.98 5.75 -1.48 -3.47 115.11 118.82 2a4h h GLN 106 Ca -0.43 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 2a4h h GLN 106 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 2a4h h GLN 106 CO 0.72 0.85 -0.32 -0.89 -2.65 0.00 0.00 178.83 176.54 2a4h n ILE 107 N -4.47 -9.76 -4.14 2.39 2.08 -1.26 -4.89 119.36 99.31 2a4h n ILE 107 Ca -0.27 0.52 -0.25 0.00 0.56 0.00 0.00 62.75 63.31 2a4h n ILE 107 Cb 0.61 -6.81 -0.06 0.00 -0.75 0.00 0.00 39.64 32.63 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 -2.57 2.72 -0.82 0.38 2.20 -0.84 -4.91 119.74 115.90 2a4h s LYS 108 Ca 0.16 -1.02 0.02 0.00 -0.36 0.00 0.00 55.97 54.77 2a4h s LYS 108 Cb -0.04 -2.51 0.31 0.00 -1.51 0.00 0.00 37.83 34.08 2a4h s LYS 108 CO 0.67 0.45 1.28 0.66 -0.36 0.00 0.00 175.35 178.05 2a4h n TYR 109 N -0.52 3.27 -0.68 4.03 4.01 -1.25 -1.85 117.16 124.18 2a4h n TYR 109 Ca -0.08 -3.33 -0.22 0.00 -0.16 0.00 0.00 57.90 54.10 2a4h n TYR 109 Cb 0.56 -0.86 0.01 0.00 -0.31 0.00 0.00 39.34 38.75 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 0.29 0.00 -0.29 -0.72 3.14 0.31 -4.74 118.33 116.32 2a4h n VAL 110 Ca 0.35 -0.29 0.03 0.00 -2.96 0.00 0.00 64.34 61.47 2a4h n VAL 110 Cb 0.34 0.00 0.11 0.00 -1.06 0.00 0.00 33.84 33.23 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 -0.20 0.00 0.00 1.45 2.47 -1.98 -3.39 114.38 112.73 2a4h h ARG 111 Ca -0.24 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 2a4h h ARG 111 Cb 0.81 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2a4h h ARG 111 CO 0.21 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.15 2a4h n GLY 112 N -1.54 -1.89 0.00 0.04 0.00 -1.26 -4.95 105.19 95.58 2a4h n GLY 112 Ca 0.12 0.87 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 -4.89 0.99 4.77 -1.26 -5.01 117.00 111.59 2a4h n LEU 113 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 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 0.06 1.51 -1.33 0.00 0.00 177.39 177.63 2a4h s ASP 114 N -0.07 6.52 -0.11 -1.43 -4.77 -1.26 -4.11 116.67 111.44 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 -2.12 -0.06 0.00 -1.09 0.00 0.00 42.92 39.65 2a4h s ASP 114 CO 0.00 0.04 1.98 -2.84 0.70 0.00 0.00 175.17 175.05 2a4h s PRO 115 N -2.62 3.70 0.05 2.11 0.02 -1.26 -4.65 135.00 132.34 2a4h s PRO 115 Ca 0.41 2.19 -0.00 0.00 0.02 0.00 0.00 61.00 63.62 2a4h s PRO 115 Cb -0.12 -4.21 -0.03 0.00 0.02 0.00 0.00 34.50 30.16 2a4h s PRO 115 CO 0.24 -1.44 -0.04 0.08 -0.33 0.00 0.00 177.00 175.50 2a4h s VAL 116 N 6.01 0.28 -0.34 3.83 1.01 -0.97 -0.46 120.40 129.76 2a4h s VAL 116 Ca 0.89 -1.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 2a4h s VAL 116 Cb -0.35 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 34.97 2a4h s VAL 116 CO 0.36 -0.79 0.09 0.68 0.00 0.00 0.00 175.10 175.45 2a4h s VAL 117 N -2.98 3.45 -0.39 2.92 -7.23 -0.78 -2.52 120.40 112.86 2a4h s VAL 117 Ca -0.00 -1.39 -0.09 0.00 -1.81 0.00 0.00 61.98 58.69 2a4h s VAL 117 Cb 0.01 -3.04 0.06 0.00 0.56 0.00 0.00 36.38 33.97 2a4h s VAL 117 CO -0.06 -0.26 0.22 -0.54 -0.31 0.00 0.00 175.10 174.15 2a4h s LYS 118 N 1.31 2.62 -0.96 4.82 1.02 -0.24 -2.68 119.74 125.63 2a4h s LYS 118 Ca -0.01 -1.35 -0.15 0.00 0.02 0.00 0.00 55.97 54.47 2a4h s LYS 118 Cb -0.20 -3.70 0.18 0.00 -0.52 0.00 0.00 37.83 33.59 2a4h s LYS 118 CO 0.00 -0.86 1.05 -0.51 -0.92 0.00 0.00 175.35 174.12 2a4h s LEU 119 N 1.43 5.78 0.00 3.17 1.02 0.23 0.16 118.68 130.47 2a4h s LEU 119 Ca 0.02 -2.59 -0.03 0.00 0.02 0.00 0.00 54.13 51.55 2a4h s LEU 119 Cb -0.22 -2.31 0.04 0.00 0.02 0.00 0.00 46.19 43.72 2a4h s LEU 119 CO 0.03 -0.76 0.25 0.18 0.02 0.00 0.00 176.35 176.07 2a4h n LEU 120 N 5.09 0.00 0.02 1.79 4.32 0.20 0.18 117.00 128.60 2a4h n LEU 120 Ca 0.23 -0.32 -0.02 0.00 -0.02 0.00 0.00 56.01 55.88 2a4h n LEU 120 Cb 0.46 -0.19 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 2a4h n LEU 120 CO 0.46 -0.67 -0.25 -0.67 -1.22 0.00 0.00 177.39 175.04 2a4h n ASP 121 N -3.13 0.87 0.08 -1.43 -0.08 -1.26 -1.28 116.55 110.33 2a4h n ASP 121 Ca 0.03 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 2a4h n ASP 121 Cb 0.12 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.29 2a4h n ASP 121 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a4h n ALA 122 N -3.44 0.00 0.22 -1.67 0.00 -1.26 -3.98 120.51 110.37 2a4h n ALA 122 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2a4h n ALA 122 Cb 0.22 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 0.00 0.00 0.87 -2.04 -3.46 113.55 108.93 2a4h h SER 123 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2a4h h SER 123 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2a4h h SER 123 CO 0.00 0.17 0.00 0.61 -0.53 0.00 0.00 176.83 177.08 2a4h n GLY 124 N 0.57 0.64 0.10 5.77 0.00 -1.26 -5.06 105.19 105.94 2a4h n GLY 124 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 0.19 -4.55 1.61 1.63 -1.92 -3.48 116.57 110.05 2a4h h LYS 125 Ca 0.00 -0.12 -0.06 0.00 -0.85 0.00 0.00 60.65 59.62 2a4h h LYS 125 Cb 0.00 0.01 0.05 0.00 -0.60 0.00 0.00 32.23 31.69 2a4h h LYS 125 CO 0.00 0.70 -0.21 0.28 -3.45 0.00 0.00 179.45 176.77 2a4h n VAL 126 N -4.65 -6.68 -0.27 2.00 0.31 -1.26 -4.91 118.33 102.87 2a4h n VAL 126 Ca -0.08 -0.43 -0.01 0.00 -0.01 0.00 0.00 64.34 63.82 2a4h n VAL 126 Cb 0.36 -5.55 0.06 0.00 -0.91 0.00 0.00 33.84 27.79 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 -0.08 -0.05 -3.71 5.55 1.08 0.16 -3.42 115.11 114.64 2a4h h GLN 127 Ca -0.15 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.87 2a4h h GLN 127 Cb 1.08 0.01 -0.24 0.00 -0.05 0.00 0.00 27.48 28.28 2a4h h GLN 127 CO 0.23 -0.03 -0.64 -1.21 -0.95 0.00 0.00 178.83 176.23 2a4h s GLU 128 N -6.12 0.24 -0.32 1.46 2.02 -1.17 -4.95 118.70 109.85 2a4h s GLU 128 Ca -0.14 -0.26 -0.02 0.00 0.02 0.00 0.00 54.97 54.57 2a4h s GLU 128 Cb 0.20 0.09 0.12 0.00 0.10 0.00 0.00 34.13 34.64 2a4h s GLU 128 CO 0.73 -0.04 0.16 0.99 0.02 0.00 0.00 175.26 177.12 2a4h s THR 129 N -0.78 0.13 -0.12 3.63 2.01 -1.23 -0.60 115.64 118.68 2a4h s THR 129 Ca -0.09 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 60.67 2a4h s THR 129 Cb -0.05 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 2a4h s THR 129 CO 0.00 -0.84 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.17 2a4h s LEU 130 N 1.59 2.57 0.23 4.42 1.43 -1.09 -4.90 118.68 122.92 2a4h s LEU 130 Ca 0.13 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 2a4h s LEU 130 Cb -0.19 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.37 2a4h s LEU 130 CO -0.19 0.17 1.26 -0.55 0.23 0.00 0.00 176.35 177.26 2a4h s SER 131 N 0.34 6.96 -0.54 2.29 0.15 -1.26 -1.86 113.70 119.78 2a4h s SER 131 Ca -0.13 2.41 0.07 0.00 0.70 0.00 0.00 55.95 59.00 2a4h s SER 131 Cb -0.16 -2.62 0.31 0.00 -1.71 0.00 0.00 66.02 61.84 2a4h s SER 131 CO 0.06 -0.44 0.82 2.30 1.20 0.00 0.00 173.24 177.18 2a4h n ILE 132 N 2.03 1.94 0.03 6.45 -5.35 0.39 -4.83 119.36 120.02 2a4h n ILE 132 Ca 0.03 -5.17 -0.06 0.00 -0.27 0.00 0.00 62.75 57.29 2a4h n ILE 132 Cb 0.43 -1.39 -0.11 0.00 -1.74 0.00 0.00 39.64 36.84 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 2.55 1.10 0.00 7.28 1.35 -1.94 -3.45 112.91 119.80 2a4h h THR 133 Ca 0.13 -2.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 2a4h h THR 133 Cb 0.66 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 2a4h h THR 133 CO 0.73 0.63 0.00 0.29 -0.25 0.00 0.00 175.52 176.92 2a4h n LYS 134 N -3.15 0.00 0.00 4.72 5.02 -1.26 -4.75 118.16 118.74 2a4h n LYS 134 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2a4h n LYS 134 Cb 0.95 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.95 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 -2.79 0.00 0.00 2.13 7.02 -1.26 -3.81 117.44 118.72 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 -0.34 -0.99 6.94 -1.26 -5.16 115.26 114.80 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 -0.05 0.00 0.00 5.53 5.66 -1.25 -4.62 114.28 119.56 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 -0.67 -3.05 0.00 0.00 175.07 171.35 2a4h n ASP 138 N -3.41 0.00 0.07 1.09 2.03 -1.26 -3.12 116.55 111.94 2a4h n ASP 138 Ca 0.00 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.52 2a4h n ASP 138 Cb 0.00 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.11 2a4h n ASP 138 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2a4h h THR 139 N 0.00 0.30 -0.58 5.18 2.02 -2.00 0.45 112.91 118.29 2a4h h THR 139 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2a4h h THR 139 Cb 0.00 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 2a4h h THR 139 CO 0.00 0.00 0.34 1.62 0.37 0.00 0.00 175.52 177.85 2a4h h VAL 140 N 0.00 1.04 -0.87 3.16 3.04 -1.89 0.58 116.25 121.30 2a4h h VAL 140 Ca 0.22 -0.23 0.14 0.00 -1.01 0.00 0.00 66.70 65.82 2a4h h VAL 140 Cb 1.30 0.32 -0.07 0.00 -2.01 0.00 0.00 31.29 30.82 2a4h h VAL 140 CO -0.00 0.12 0.56 -0.08 -1.01 0.00 0.00 177.57 177.16 2a4h h GLU 141 N 0.66 0.67 0.00 4.17 4.81 -0.40 0.49 114.58 124.97 2a4h h GLU 141 Ca 0.24 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.28 2a4h h GLU 141 Cb 0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2a4h h GLU 141 CO -0.12 0.44 -0.70 1.49 -0.73 0.00 0.00 179.01 179.39 2a4h h GLU 142 N 0.69 0.00 -0.69 1.92 4.81 -0.83 -3.12 114.58 117.36 2a4h h GLU 142 Ca 0.43 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.81 2a4h h GLU 142 Cb 0.69 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.94 2a4h h GLU 142 CO -0.19 0.70 -0.08 0.35 -0.73 0.00 0.00 179.01 179.06 2a4h h PHE 143 N 0.00 -0.19 0.28 0.92 3.57 0.51 0.11 116.94 122.13 2a4h h PHE 143 Ca -0.01 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2a4h h PHE 143 Cb 1.26 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.19 2a4h h PHE 143 CO 0.00 -0.25 -0.13 0.74 -2.23 0.00 0.00 178.31 176.44 2a4h h PHE 144 N 0.05 -0.34 -0.90 0.41 0.04 -1.55 -0.61 116.94 114.04 2a4h h PHE 144 Ca 0.35 -0.01 0.26 0.00 2.80 0.00 0.00 57.97 61.38 2a4h h PHE 144 Cb 0.58 0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.81 2a4h h PHE 144 CO -0.47 -0.21 0.87 1.05 -0.60 0.00 0.00 178.31 178.95 2a4h h GLU 145 N -1.03 0.00 0.00 1.51 -0.00 -1.45 1.46 114.58 115.08 2a4h h GLU 145 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 2a4h h GLU 145 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.03 2a4h h GLU 145 CO 0.06 0.00 -1.62 0.25 -0.00 0.00 0.00 179.01 177.71 2a4h n THR 146 N -3.64 0.05 0.54 -1.06 -2.24 0.37 -4.30 114.28 103.99 2a4h n THR 146 Ca 0.19 -0.36 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2a4h n THR 146 Cb 1.17 0.23 0.06 0.00 -2.10 0.00 0.00 70.33 69.69 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 -2.08 0.01 -3.93 4.78 8.25 0.41 -4.42 115.22 118.24 2a4h n HIS 147 Ca -0.01 -0.01 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 2a4h n HIS 147 Cb 0.50 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 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 -1.11 3.02 0.06 2.41 1.43 0.37 0.18 118.68 125.04 2a4h s LEU 148 Ca 0.16 -1.07 0.09 0.00 -1.03 0.00 0.00 54.13 52.27 2a4h s LEU 148 Cb 0.11 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 2a4h s LEU 148 CO 0.17 -0.77 -0.23 0.00 0.23 0.00 0.00 176.35 175.74 2a4h s ALA 149 N -2.64 2.01 -0.69 4.21 0.00 -1.26 -4.76 121.76 118.62 2a4h s ALA 149 Ca 0.39 -1.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 2a4h s ALA 149 Cb -0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 23.12 22.64 2a4h s ALA 149 CO 0.23 0.45 3.13 1.63 0.00 0.00 0.00 175.76 181.20 2a4h n LYS 150 N 1.59 2.88 -3.14 0.00 4.76 -1.26 -4.46 118.16 118.53 2a4h n LYS 150 Ca -0.17 -1.90 -0.20 0.00 -2.87 0.00 0.00 58.31 53.16 2a4h n LYS 150 Cb 0.53 -2.32 -0.00 0.00 -1.84 0.00 0.00 35.03 31.39 2a4h n LYS 150 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2a4h n ASP 151 N 2.37 -3.76 0.00 4.39 2.03 -1.26 -4.73 116.55 115.59 2a4h n ASP 151 Ca 0.56 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2a4h n ASP 151 Cb 0.58 -3.13 0.00 0.00 -0.72 0.00 0.00 41.12 37.84 2a4h n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a4h n GLY 152 N -1.09 -0.92 2.12 0.27 0.00 -1.26 -5.09 105.19 99.22 2a4h n GLY 152 Ca -0.05 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.12 0.65 -2.65 4.61 0.00 -1.26 -4.95 120.51 116.80 2a4h n ALA 153 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2a4h n ALA 153 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2a4h n ALA 153 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2a4h s GLY 154 N -2.27 1.87 -0.27 0.00 0.00 -1.26 -5.11 107.32 100.28 2a4h s GLY 154 Ca 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.52 2a4h s GLY 154 CO 0.00 -1.15 0.53 0.54 0.00 0.00 0.00 173.10 173.01 2a4h s LYS 155 N -2.30 0.49 -0.81 2.90 1.02 -1.26 -5.10 119.74 114.67 2a4h s LYS 155 Ca 0.24 0.92 -0.26 0.00 0.02 0.00 0.00 55.97 56.90 2a4h s LYS 155 Cb -0.11 0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.48 2a4h s LYS 155 CO 0.17 -0.55 1.51 1.21 -0.92 0.00 0.00 175.35 176.77 2a4h s ASN 156 N 2.75 5.98 -0.05 2.83 3.84 -1.26 -4.74 114.94 124.29 2a4h s ASN 156 Ca 0.14 -0.62 -0.10 0.00 0.21 0.00 0.00 52.86 52.50 2a4h s ASN 156 Cb -0.15 -2.56 -0.03 0.00 -0.55 0.00 0.00 41.25 37.96 2a4h s ASN 156 CO -0.19 -1.95 -0.19 -0.24 -2.79 0.00 0.00 177.10 171.75 2a4h n SER 157 N 10.39 1.54 -4.60 -4.21 2.88 -1.26 -5.02 113.62 113.35 2a4h n SER 157 Ca 0.19 0.24 -0.45 0.00 -1.33 0.00 0.00 58.87 57.52 2a4h n SER 157 Cb 0.50 -0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 63.39 2a4h n SER 157 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a4h n TYR 158 N -4.00 1.43 -4.06 0.66 4.11 -1.26 -4.99 117.16 109.04 2a4h n TYR 158 Ca -0.08 0.67 -0.07 0.00 -0.00 0.00 0.00 57.90 58.41 2a4h n TYR 158 Cb 0.29 -2.28 -0.10 0.00 -0.00 0.00 0.00 39.34 37.25 2a4h n TYR 158 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 2a4h s SER 159 N -0.38 0.42 0.00 9.48 0.01 -1.26 -5.13 113.70 116.84 2a4h s SER 159 Ca 0.61 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2a4h s SER 159 Cb -0.71 0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2a4h s SER 159 CO 0.58 -0.63 0.00 1.33 0.41 0.00 0.00 173.24 174.93 2a4h n VAL 160 N 0.07 0.00 -2.29 3.43 0.24 -1.26 -4.21 118.33 114.31 2a4h n VAL 160 Ca -0.13 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.74 2a4h n VAL 160 Cb 0.61 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.96 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 0.00 3.99 0.61 3.34 1.01 -1.26 -4.98 120.40 123.12 2a4h s VAL 161 Ca 0.00 1.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.95 2a4h s VAL 161 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2a4h s VAL 161 CO 0.00 -0.29 1.03 -0.62 0.00 0.00 0.00 175.10 175.22 2a4h n GLU 162 N 7.20 0.93 -1.79 2.72 1.02 -1.26 -4.98 120.64 124.48 2a4h n GLU 162 Ca 0.16 0.36 -0.30 0.00 -0.02 0.00 0.00 57.16 57.36 2a4h n GLU 162 Cb 0.45 -2.24 0.05 0.00 -0.02 0.00 0.00 31.44 29.68 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 -1.28 5.41 -1.63 1.62 -1.08 -1.26 -3.68 116.67 114.77 2a4h s ASP 163 Ca 0.77 1.26 0.00 0.00 -0.52 0.00 0.00 52.55 54.06 2a4h s ASP 163 Cb -0.41 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 2a4h s ASP 163 CO 0.45 -1.38 0.00 0.00 0.52 0.00 0.00 175.17 174.77 2a4h n ALA 164 N -3.05 -0.23 -1.11 3.66 0.00 -1.26 -4.92 120.51 113.61 2a4h n ALA 164 Ca 0.07 0.25 -0.34 0.00 0.00 0.00 0.00 53.44 53.41 2a4h n ALA 164 Cb 0.56 -1.76 0.11 0.00 0.00 0.00 0.00 19.45 18.36 2a4h n ALA 164 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2a4h n ASP 165 N -0.99 -0.12 0.00 0.00 2.03 -1.24 -3.99 116.55 112.24 2a4h n ASP 165 Ca -0.15 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.70 2a4h n ASP 165 Cb 0.58 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 2a4h n ASP 165 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a4h n GLY 166 N 1.03 0.90 2.98 0.27 0.00 -1.26 -5.04 105.19 104.07 2a4h n GLY 166 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.12 -0.40 0.13 1.61 -1.08 -1.26 -5.13 116.67 108.42 2a4h s ASP 167 Ca 0.00 -1.25 -0.32 0.00 -0.52 0.00 0.00 52.55 50.47 2a4h s ASP 167 Cb 0.00 1.35 -0.11 0.00 -1.46 0.00 0.00 42.92 42.70 2a4h s ASP 167 CO 0.00 -0.19 1.82 -0.90 0.52 0.00 0.00 175.17 176.41 2a4h n ASP 168 N 4.17 3.98 -1.88 -0.34 5.68 -1.26 -4.45 116.55 122.46 2a4h n ASP 168 Ca 0.12 1.00 0.00 0.00 -0.50 0.00 0.00 54.79 55.41 2a4h n ASP 168 Cb 0.52 -1.54 0.00 0.00 -1.14 0.00 0.00 41.12 38.96 2a4h n ASP 168 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2a4h n ASP 169 N 5.37 -8.74 -4.67 -1.12 9.92 -1.26 -4.88 116.55 111.17 2a4h n ASP 169 Ca 0.18 1.28 -0.41 0.00 -0.53 0.00 0.00 54.79 55.31 2a4h n ASP 169 Cb 0.36 -4.76 -0.04 0.00 -0.64 0.00 0.00 41.12 36.04 2a4h n ASP 169 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2a4h s GLU 170 N -1.41 4.29 0.61 -1.24 8.01 -1.26 -4.92 118.70 122.78 2a4h s GLU 170 Ca 0.00 0.99 0.34 0.00 0.01 0.00 0.00 54.97 56.31 2a4h s GLU 170 Cb 0.00 -3.57 1.99 0.00 -4.31 0.00 0.00 34.13 28.24 2a4h s GLU 170 CO 0.00 -0.32 2.28 0.22 0.01 0.00 0.00 175.26 177.45 2a4h h ASP 171 N 7.34 0.00 -0.17 -0.19 1.82 -1.94 -3.44 116.42 119.84 2a4h h ASP 171 Ca -0.29 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 2a4h h ASP 171 Cb 1.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.14 2a4h h ASP 171 CO 0.83 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.46 2a4h n TYR 172 N -3.62 0.00 -0.02 0.28 9.36 -1.26 -5.12 117.16 116.78 2a4h n TYR 172 Ca -0.03 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.17 2a4h n TYR 172 Cb 0.10 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.80 2a4h n TYR 172 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2a4h n LEU 173 N 0.00 0.63 -4.28 2.98 4.77 -1.26 -5.04 117.00 114.79 2a4h n LEU 173 Ca 0.00 0.10 -0.30 0.00 -0.03 0.00 0.00 56.01 55.78 2a4h n LEU 173 Cb 0.00 -0.48 -0.16 0.00 -2.33 0.00 0.00 43.42 40.45 2a4h n LEU 173 CO 0.00 -0.46 -0.56 -0.13 -1.33 0.00 0.00 177.39 174.91 2a4h s ARG 174 N -1.61 2.04 -0.34 3.23 0.52 -1.26 -5.03 118.95 116.51 2a4h s ARG 174 Ca -0.08 -0.88 0.15 0.00 -0.52 0.00 0.00 55.73 54.40 2a4h s ARG 174 Cb 0.01 -1.95 0.44 0.00 0.52 0.00 0.00 34.95 33.97 2a4h s ARG 174 CO 0.12 0.51 1.29 0.25 0.02 0.00 0.00 175.30 177.50 2a4h n THR 175 N 2.52 0.46 -3.77 0.02 -2.24 -1.26 -5.04 114.28 104.96 2a4h n THR 175 Ca -0.16 -1.93 -0.33 0.00 -2.27 0.00 0.00 64.05 59.36 2a4h n THR 175 Cb 0.52 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.66 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 -2.09 5.24 -0.23 3.42 -0.87 -1.26 -4.91 114.94 114.24 2a4h s ASN 176 Ca 0.20 -3.44 -0.04 0.00 -1.57 0.00 0.00 52.86 48.00 2a4h s ASN 176 Cb 0.41 -1.78 0.02 0.00 -0.02 0.00 0.00 41.25 39.87 2a4h s ASN 176 CO -0.07 -0.21 0.09 -1.14 -2.57 0.00 0.00 177.10 173.20 2a4h n ARG 177 N 2.63 -3.53 0.00 -0.60 3.00 -1.26 -5.33 116.66 111.58 2a4h n ARG 177 Ca 0.15 2.79 0.00 0.00 -0.00 0.00 0.00 57.85 60.80 2a4h n ARG 177 Cb 0.36 -4.69 0.00 0.00 0.00 0.00 0.00 32.46 28.13 2a4h n ARG 177 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07