#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 -2.50 3.17 0.00 -1.26 -4.75 120.51 115.17 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 0.43 0.00 0.00 0.00 177.50 177.93 2a4h n SER 55 N 1.61 -6.45 -3.54 0.00 7.64 -1.26 -5.04 113.62 106.58 2a4h n SER 55 Ca 0.00 1.19 -0.29 0.00 1.01 0.00 0.00 58.87 60.78 2a4h n SER 55 Cb 0.00 -4.60 -0.15 0.00 -1.01 0.00 0.00 64.21 58.45 2a4h n SER 55 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2a4h s HIS 56 N -1.28 0.45 0.18 1.43 -3.43 -1.26 -4.96 115.29 106.42 2a4h s HIS 56 Ca -0.02 -1.02 0.03 0.00 -0.80 0.00 0.00 55.06 53.25 2a4h s HIS 56 Cb 0.00 -0.95 -0.01 0.00 -1.43 0.00 0.00 32.58 30.19 2a4h s HIS 56 CO 0.65 -0.83 0.10 0.72 -2.00 0.00 0.00 174.74 173.38 2a4h n HIS 57 N 5.08 -0.12 -2.04 0.38 8.25 -1.26 -5.10 115.22 120.40 2a4h n HIS 57 Ca -0.04 -1.30 -0.43 0.00 -0.26 0.00 0.00 57.72 55.69 2a4h n HIS 57 Cb 0.41 0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 2a4h n HIS 57 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2a4h s HIS 58 N -2.44 2.01 0.28 4.41 5.65 -1.26 -4.75 115.29 119.19 2a4h s HIS 58 Ca 0.14 0.37 0.00 0.00 0.25 0.00 0.00 55.06 55.82 2a4h s HIS 58 Cb 0.01 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.47 2a4h s HIS 58 CO 0.10 -3.45 0.00 0.72 -0.65 0.00 0.00 174.74 171.46 2a4h n HIS 59 N 7.88 -3.40 -4.04 3.88 -0.00 -1.26 -4.86 115.22 113.42 2a4h n HIS 59 Ca 0.18 1.53 -0.31 0.00 -0.00 0.00 0.00 57.72 59.13 2a4h n HIS 59 Cb 0.44 -2.80 -0.03 0.00 -0.00 0.00 0.00 29.99 27.60 2a4h n HIS 59 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2a4h n HIS 60 N -3.85 -1.54 0.08 4.41 -0.00 -1.26 -4.91 115.22 108.16 2a4h n HIS 60 Ca 0.01 0.58 -0.03 0.00 -0.00 0.00 0.00 57.72 58.27 2a4h n HIS 60 Cb 0.56 -3.31 -0.02 0.00 -0.00 0.00 0.00 29.99 27.22 2a4h n HIS 60 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2a4h h HIS 61 N -1.94 -0.21 -1.09 -1.40 -0.00 -1.89 -3.46 115.15 105.16 2a4h h HIS 61 Ca -0.66 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.67 2a4h h HIS 61 Cb 1.38 0.07 -0.21 0.00 -0.00 0.00 0.00 27.41 28.65 2a4h h HIS 61 CO 0.46 -0.13 -0.43 -1.17 -0.00 0.00 0.00 177.93 176.66 2a4h s LEU 62 N -5.62 -1.48 0.00 0.26 1.98 -1.26 -4.94 118.68 107.61 2a4h s LEU 62 Ca -0.03 -0.29 0.00 0.00 -2.89 0.00 0.00 54.13 50.92 2a4h s LEU 62 Cb 0.00 1.89 0.00 0.00 0.66 0.00 0.00 46.19 48.75 2a4h s LEU 62 CO 0.10 -0.25 0.00 -0.90 -1.89 0.00 0.00 176.35 173.41 2a4h n ASP 63 N 4.99 -2.64 -2.32 3.68 5.68 -1.26 -4.81 116.55 119.88 2a4h n ASP 63 Ca 0.07 0.27 -0.02 0.00 -0.50 0.00 0.00 54.79 54.61 2a4h n ASP 63 Cb 0.54 -0.91 0.07 0.00 -1.14 0.00 0.00 41.12 39.68 2a4h n ASP 63 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2a4h n GLN 64 N -1.27 1.10 -2.98 0.11 10.64 -1.26 -5.02 117.38 118.70 2a4h n GLN 64 Ca 0.00 -1.74 -0.40 0.00 -1.83 0.00 0.00 57.00 53.03 2a4h n GLN 64 Cb 0.12 -0.04 -0.05 0.00 -0.86 0.00 0.00 30.24 29.40 2a4h n GLN 64 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2a4h s GLN 65 N -0.78 4.52 0.72 2.61 0.74 -1.26 -5.05 119.66 121.16 2a4h s GLN 65 Ca 0.13 1.11 -0.12 0.00 0.05 0.00 0.00 55.36 56.54 2a4h s GLN 65 Cb 0.34 -3.33 0.03 0.00 1.10 0.00 0.00 33.01 31.15 2a4h s GLN 65 CO -0.09 0.39 1.08 -1.25 -0.55 0.00 0.00 175.29 174.87 2a4h s PRO 66 N -0.46 2.62 -0.56 1.67 0.04 -1.26 -4.97 135.00 132.08 2a4h s PRO 66 Ca 0.38 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.57 2a4h s PRO 66 Cb -0.22 -1.94 0.51 0.00 0.04 0.00 0.00 34.50 32.89 2a4h s PRO 66 CO 0.24 -1.36 1.89 0.00 0.04 0.00 0.00 177.00 177.81 2a4h n ALA 67 N -3.13 5.91 -0.01 8.56 0.00 -1.26 -4.56 120.51 126.03 2a4h n ALA 67 Ca 0.09 -3.35 -0.03 0.00 0.00 0.00 0.00 53.44 50.15 2a4h n ALA 67 Cb 0.53 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.97 1.81 -2.98 0.00 0.00 -1.26 -5.08 120.51 112.04 2a4h n ALA 68 Ca 0.59 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 2a4h n ALA 68 Cb 0.96 0.09 -0.14 0.00 0.00 0.00 0.00 19.45 20.36 2a4h n ALA 68 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2a4h s GLN 69 N -1.94 0.00 -0.78 0.00 -1.52 -1.26 -5.04 119.66 109.11 2a4h s GLN 69 Ca -0.09 0.03 -0.02 0.00 -1.95 0.00 0.00 55.36 53.33 2a4h s GLN 69 Cb 0.01 -0.03 0.34 0.00 -0.22 0.00 0.00 33.01 33.11 2a4h s GLN 69 CO 0.14 -0.02 2.10 2.89 -0.25 0.00 0.00 175.29 180.14 2a4h n ARG 70 N 3.21 2.70 -0.41 2.91 1.85 -1.26 -4.88 116.66 120.78 2a4h n ARG 70 Ca -0.14 -3.36 -0.29 0.00 -1.00 0.00 0.00 57.85 53.07 2a4h n ARG 70 Cb 0.59 -2.25 0.28 0.00 -1.05 0.00 0.00 32.46 30.02 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 -4.75 1.74 0.37 8.89 -4.23 -1.26 -4.90 115.64 111.49 2a4h s THR 71 Ca 0.54 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.10 2a4h s THR 71 Cb 0.44 -2.01 -0.06 0.00 1.34 0.00 0.00 72.50 72.21 2a4h s THR 71 CO -0.34 0.00 0.05 -0.31 -0.54 0.00 0.00 174.62 173.47 2a4h s TYR 72 N -2.32 2.12 -0.14 3.99 1.51 0.36 -4.96 117.35 117.91 2a4h s TYR 72 Ca 0.69 -0.89 -0.10 0.00 -1.01 0.00 0.00 57.07 55.75 2a4h s TYR 72 Cb -0.22 -1.45 -0.07 0.00 -0.11 0.00 0.00 41.96 40.12 2a4h s TYR 72 CO 0.63 0.13 0.01 0.00 -1.11 0.00 0.00 175.55 175.22 2a4h h ALA 73 N 1.94 0.04 -2.50 3.71 0.00 -1.86 -3.40 119.26 117.19 2a4h h ALA 73 Ca -0.42 -0.48 -0.31 0.00 0.00 0.00 0.00 54.91 53.70 2a4h h ALA 73 Cb 1.25 0.37 -0.16 0.00 0.00 0.00 0.00 17.79 19.24 2a4h h ALA 73 CO 0.72 0.36 -0.72 0.21 0.00 0.00 0.00 179.25 179.82 2a4h s LYS 74 N -2.07 0.92 -0.28 0.00 2.20 -1.13 -4.70 119.74 114.67 2a4h s LYS 74 Ca -0.13 -1.28 -0.20 0.00 -0.36 0.00 0.00 55.97 54.00 2a4h s LYS 74 Cb 0.02 -0.53 0.11 0.00 -1.51 0.00 0.00 37.83 35.92 2a4h s LYS 74 CO 0.26 0.07 0.86 0.00 -0.36 0.00 0.00 175.35 176.17 2a4h s ALA 75 N -2.89 -1.99 -0.03 3.13 0.00 -0.59 0.25 121.76 119.65 2a4h s ALA 75 Ca 0.10 2.16 0.06 0.00 0.00 0.00 0.00 51.96 54.28 2a4h s ALA 75 Cb 0.00 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 2a4h s ALA 75 CO -0.00 -0.33 -0.20 0.42 0.00 0.00 0.00 175.76 175.65 2a4h s ILE 76 N 0.99 1.60 -0.74 0.00 1.01 0.31 -1.51 121.20 122.85 2a4h s ILE 76 Ca -0.05 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 2a4h s ILE 76 Cb -0.05 -1.34 0.19 0.00 0.01 0.00 0.00 42.46 41.27 2a4h s ILE 76 CO -0.11 0.45 0.64 -0.22 0.00 0.00 0.00 174.94 175.70 2a4h s LEU 77 N -0.32 6.24 -0.63 2.97 2.96 -1.26 -0.80 118.68 127.84 2a4h s LEU 77 Ca 0.04 -2.65 -0.24 0.00 -0.22 0.00 0.00 54.13 51.06 2a4h s LEU 77 Cb -0.09 -2.10 0.05 0.00 0.50 0.00 0.00 46.19 44.55 2a4h s LEU 77 CO 0.00 -0.54 1.04 -1.61 -1.32 0.00 0.00 176.35 173.93 2a4h s GLU 78 N 0.24 3.24 0.45 1.98 2.02 -1.15 -1.48 118.70 123.99 2a4h s GLU 78 Ca 0.16 -0.43 0.03 0.00 0.02 0.00 0.00 54.97 54.76 2a4h s GLU 78 Cb -0.15 -4.14 -0.03 0.00 0.10 0.00 0.00 34.13 29.91 2a4h s GLU 78 CO -0.06 -1.76 0.04 0.14 0.02 0.00 0.00 175.26 173.64 2a4h s VAL 79 N 4.44 1.14 0.00 2.63 -7.23 -0.61 -2.96 120.40 117.81 2a4h s VAL 79 Ca 0.29 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 2a4h s VAL 79 Cb -0.13 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2a4h s VAL 79 CO 0.16 0.00 0.53 0.00 -0.31 0.00 0.00 175.10 175.47 2a4h n THR 81 N -0.07 0.00 0.15 0.00 -2.24 -1.26 -4.78 114.28 106.08 2a4h n THR 81 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2a4h n THR 81 Cb 0.43 -1.44 0.05 0.00 -2.10 0.00 0.00 70.33 67.28 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 -3.16 1.85 0.01 0.00 -0.00 -1.26 -4.29 118.16 111.30 2a4h n LYS 83 Ca 0.02 -0.96 0.23 0.00 -0.00 0.00 0.00 58.31 57.59 2a4h n LYS 83 Cb 0.68 -1.40 0.68 0.00 -0.00 0.00 0.00 35.03 35.00 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 1.43 0.00 0.00 5.58 3.57 -1.80 0.69 116.94 126.40 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 0.57 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2a4h h PHE 84 CO 0.24 0.00 -0.67 -0.09 -2.23 0.00 0.00 178.31 175.56 2a4h h ARG 85 N 0.00 0.00 0.36 1.11 2.43 -1.89 -3.25 114.38 113.15 2a4h h ARG 85 Ca 0.28 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2a4h h ARG 85 Cb 1.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 2a4h h ARG 85 CO -0.00 0.64 -0.17 0.00 -1.51 0.00 0.00 179.97 178.92 2a4h h ALA 86 N -0.57 -0.49 -1.93 2.80 0.00 -1.57 -3.37 119.26 114.14 2a4h h ALA 86 Ca -0.15 -0.18 -0.68 0.00 0.00 0.00 0.00 54.91 53.90 2a4h h ALA 86 Cb 0.90 0.19 -0.36 0.00 0.00 0.00 0.00 17.79 18.51 2a4h h ALA 86 CO -0.09 -0.53 0.00 0.66 0.00 0.00 0.00 179.25 179.29 2a4h n TYR 87 N -5.12 3.45 0.26 0.00 4.01 0.23 -4.84 117.16 115.15 2a4h n TYR 87 Ca -0.09 -3.46 0.15 0.00 -0.16 0.00 0.00 57.90 54.34 2a4h n TYR 87 Cb 0.27 -0.78 0.74 0.00 -0.31 0.00 0.00 39.34 39.26 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 3.74 0.00 0.10 -0.72 0.13 -1.58 -2.29 132.00 131.38 2a4h h PRO 88 Ca 0.27 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.13 2a4h h PRO 88 Cb 0.48 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.62 2a4h h PRO 88 CO 0.98 0.00 -1.18 1.96 -0.23 0.00 0.00 178.00 179.53 2a4h h GLN 89 N 0.00 0.36 0.00 0.86 4.20 -1.88 -3.15 115.11 115.50 2a4h h GLN 89 Ca 0.00 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2a4h h GLN 89 Cb 0.11 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2a4h h GLN 89 CO 0.00 1.22 0.00 -0.89 -0.67 0.00 0.00 178.83 178.49 2a4h n ILE 90 N -3.63 0.00 -0.10 2.54 5.41 -0.86 -1.75 119.36 120.97 2a4h n ILE 90 Ca -0.09 1.01 0.26 0.00 1.00 0.00 0.00 62.75 64.93 2a4h n ILE 90 Cb 0.97 -1.81 0.63 0.00 -0.71 0.00 0.00 39.64 38.72 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 -0.39 0.38 4.15 -1.75 0.16 115.11 117.65 2a4h h GLN 91 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 2a4h h GLN 91 Cb 0.00 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.60 2a4h h GLN 91 CO 0.00 0.00 -0.22 0.00 -1.93 0.00 0.00 178.83 176.68 2a4h h ALA 92 N 1.08 0.04 -0.26 3.38 0.00 -1.29 0.48 119.26 122.69 2a4h h ALA 92 Ca 0.38 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.33 2a4h h ALA 92 Cb 2.03 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 20.32 2a4h h ALA 92 CO -0.00 -0.59 -0.23 0.27 0.00 0.00 0.00 179.25 178.69 2a4h h PHE 93 N -0.15 0.54 -0.61 0.00 -5.15 -0.74 -0.25 116.94 110.57 2a4h h PHE 93 Ca 0.19 -0.11 0.01 0.00 -0.20 0.00 0.00 57.97 57.86 2a4h h PHE 93 Cb 0.45 -0.14 -0.03 0.00 0.22 0.00 0.00 35.95 36.45 2a4h h PHE 93 CO -0.45 0.69 0.41 0.82 -2.00 0.00 0.00 178.31 177.77 2a4h h ILE 94 N 0.44 1.16 0.00 0.88 2.04 -0.79 -0.78 117.51 120.45 2a4h h ILE 94 Ca 0.07 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 2a4h h ILE 94 Cb 0.65 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2a4h h ILE 94 CO 0.05 0.15 -0.58 1.56 0.00 0.00 0.00 178.15 179.33 2a4h h GLN 95 N 0.83 0.00 -0.74 2.37 4.20 0.42 -3.29 115.11 118.91 2a4h h GLN 95 Ca 0.22 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.98 2a4h h GLN 95 Cb -0.10 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 2a4h h GLN 95 CO -0.05 0.54 0.45 1.03 -0.67 0.00 0.00 178.83 180.13 2a4h h SER 96 N 0.00 0.71 0.00 1.46 0.87 0.46 -3.47 113.55 113.59 2a4h h SER 96 Ca -0.01 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2a4h h SER 96 Cb 1.43 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2a4h h SER 96 CO 0.07 0.47 0.00 0.61 -0.53 0.00 0.00 176.83 177.45 2a4h n GLY 97 N -1.30 0.66 0.22 5.77 0.00 -1.10 -5.00 105.19 104.44 2a4h n GLY 97 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2a4h n GLY 97 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2a4h h ARG 98 N 2.77 0.69 0.00 1.61 -0.00 -1.87 -2.65 114.38 114.93 2a4h h ARG 98 Ca 0.00 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.98 59.30 2a4h h ARG 98 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 29.97 29.88 2a4h h ARG 98 CO 0.00 0.72 -0.02 -1.35 0.00 0.00 0.00 179.97 179.32 2a4h h PRO 99 N 0.56 0.00 -0.30 0.04 0.11 -1.89 -1.28 132.00 129.24 2a4h h PRO 99 Ca 0.13 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 2a4h h PRO 99 Cb 0.34 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 2a4h h PRO 99 CO 0.00 0.02 -0.13 0.00 -0.21 0.00 0.00 178.00 177.68 2a4h h ALA 100 N 1.98 1.22 0.00 -0.75 0.00 -1.83 -2.06 119.26 117.83 2a4h h ALA 100 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2a4h h ALA 100 Cb 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2a4h h ALA 100 CO 0.00 0.51 -0.12 0.87 0.00 0.00 0.00 179.25 180.51 2a4h h LYS 101 N 0.47 0.00 -6.56 0.00 1.57 -1.29 -3.41 116.57 107.35 2a4h h LYS 101 Ca 0.09 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.30 2a4h h LYS 101 Cb 0.51 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 2a4h h LYS 101 CO 0.03 0.12 1.00 -0.06 -0.57 0.00 0.00 179.45 179.97 2a4h s PHE 102 N -4.10 2.60 0.20 -1.35 0.08 -0.77 -4.19 117.98 110.46 2a4h s PHE 102 Ca -0.02 0.73 -0.05 0.00 0.12 0.00 0.00 56.93 57.71 2a4h s PHE 102 Cb 0.12 -4.28 0.16 0.00 -0.57 0.00 0.00 43.02 38.45 2a4h s PHE 102 CO 0.58 -1.66 1.59 -1.00 -0.10 0.00 0.00 175.22 174.63 2a4h h PRO 103 N 9.93 0.74 -0.49 0.24 0.13 -1.77 -2.98 132.00 137.80 2a4h h PRO 103 Ca -0.26 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2a4h h PRO 103 Cb 1.09 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2a4h h PRO 103 CO 1.09 0.95 0.00 0.09 -0.23 0.00 0.00 178.00 179.90 2a4h n ASN 104 N -4.08 1.80 -4.25 1.44 3.02 -1.26 -4.80 115.26 107.12 2a4h n ASN 104 Ca -0.01 -2.12 -0.32 0.00 -0.03 0.00 0.00 54.58 52.10 2a4h n ASN 104 Cb 0.48 -0.32 -0.17 0.00 -0.61 0.00 0.00 39.78 39.16 2a4h n ASN 104 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2a4h s LEU 105 N -0.96 2.18 -0.04 3.41 2.96 -1.13 -1.54 118.68 123.56 2a4h s LEU 105 Ca 0.17 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2a4h s LEU 105 Cb 0.10 -1.44 -0.00 0.00 0.50 0.00 0.00 46.19 45.35 2a4h s LEU 105 CO 0.09 0.17 -0.03 -0.61 -1.32 0.00 0.00 176.35 174.65 2a4h h GLN 106 N 6.63 0.00 -3.09 1.98 5.75 -1.57 -3.47 115.11 121.34 2a4h h GLN 106 Ca -0.21 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.26 2a4h h GLN 106 Cb 1.23 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.80 2a4h h GLN 106 CO 0.48 0.00 -0.09 -0.89 -2.65 0.00 0.00 178.83 175.69 2a4h n ILE 107 N -3.09 -1.62 -2.43 2.39 2.08 -1.26 -4.90 119.36 110.53 2a4h n ILE 107 Ca -0.01 -0.12 -0.31 0.00 0.56 0.00 0.00 62.75 62.87 2a4h n ILE 107 Cb 0.04 -3.25 -0.02 0.00 -0.75 0.00 0.00 39.64 35.66 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 -3.32 3.78 -0.74 0.38 2.20 -0.55 -4.90 119.74 116.58 2a4h s LYS 108 Ca 0.04 0.69 0.03 0.00 -0.36 0.00 0.00 55.97 56.37 2a4h s LYS 108 Cb -0.01 -2.22 0.33 0.00 -1.51 0.00 0.00 37.83 34.42 2a4h s LYS 108 CO 0.08 -0.26 1.24 0.66 -0.36 0.00 0.00 175.35 176.70 2a4h n TYR 109 N -1.84 3.58 -0.63 4.03 4.01 -1.25 -1.57 117.16 123.50 2a4h n TYR 109 Ca 0.05 -3.51 -0.20 0.00 -0.16 0.00 0.00 57.90 54.08 2a4h n TYR 109 Cb 0.54 -0.74 0.01 0.00 -0.31 0.00 0.00 39.34 38.84 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 -0.10 0.00 -0.34 -0.72 3.14 0.42 -4.70 118.33 116.03 2a4h n VAL 110 Ca 0.36 -0.25 0.10 0.00 -2.96 0.00 0.00 64.34 61.58 2a4h n VAL 110 Cb 0.35 0.00 0.21 0.00 -1.06 0.00 0.00 33.84 33.34 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 -0.03 0.01 0.00 1.45 2.47 -1.98 -3.39 114.38 112.90 2a4h h ARG 111 Ca -0.21 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 2a4h h ARG 111 Cb 0.73 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 2a4h h ARG 111 CO 0.21 0.01 0.00 0.41 0.56 0.00 0.00 179.97 181.15 2a4h n GLY 112 N -1.55 -1.91 0.00 0.04 0.00 -1.26 -4.97 105.19 95.54 2a4h n GLY 112 Ca 0.19 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.09 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 -5.04 117.00 111.57 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 -0.03 1.51 -1.33 0.00 0.00 177.39 177.54 2a4h s ASP 114 N 0.41 6.48 -0.20 -1.43 -4.77 -1.26 -4.30 116.67 111.60 2a4h s ASP 114 Ca 0.00 0.53 -0.28 0.00 -3.30 0.00 0.00 52.55 49.50 2a4h s ASP 114 Cb 0.00 -2.07 -0.05 0.00 -1.09 0.00 0.00 42.92 39.71 2a4h s ASP 114 CO 0.00 0.14 2.07 -2.84 0.70 0.00 0.00 175.17 175.24 2a4h s PRO 115 N -2.32 3.36 -0.04 2.11 0.02 -1.26 -4.65 135.00 132.23 2a4h s PRO 115 Ca 0.35 2.00 -0.01 0.00 0.02 0.00 0.00 61.00 63.36 2a4h s PRO 115 Cb -0.13 -4.29 0.03 0.00 0.02 0.00 0.00 34.50 30.14 2a4h s PRO 115 CO 0.22 -1.84 0.08 0.08 -0.33 0.00 0.00 177.00 175.21 2a4h s VAL 116 N 7.29 -0.10 0.20 3.83 1.01 -1.16 -1.19 120.40 130.28 2a4h s VAL 116 Ca 0.93 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 2a4h s VAL 116 Cb -0.32 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 35.82 2a4h s VAL 116 CO 0.35 0.12 1.11 0.68 0.00 0.00 0.00 175.10 177.36 2a4h s VAL 117 N 1.52 3.76 -0.02 2.92 -7.23 -0.14 -2.95 120.40 118.27 2a4h s VAL 117 Ca -0.04 1.57 0.01 0.00 -1.81 0.00 0.00 61.98 61.71 2a4h s VAL 117 Cb -0.12 -4.00 0.01 0.00 0.56 0.00 0.00 36.38 32.82 2a4h s VAL 117 CO -0.04 0.29 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.46 2a4h s LYS 118 N -0.59 0.49 -0.32 4.82 1.02 0.02 -1.03 119.74 124.14 2a4h s LYS 118 Ca 0.49 -0.14 0.03 0.00 0.02 0.00 0.00 55.97 56.37 2a4h s LYS 118 Cb -0.30 -0.50 0.09 0.00 -0.52 0.00 0.00 37.83 36.59 2a4h s LYS 118 CO 0.36 0.04 0.02 -0.51 -0.92 0.00 0.00 175.35 174.35 2a4h s LEU 119 N 0.23 4.43 0.00 3.17 1.02 -0.39 0.11 118.68 127.25 2a4h s LEU 119 Ca -0.02 -1.90 0.02 0.00 0.02 0.00 0.00 54.13 52.25 2a4h s LEU 119 Cb -0.06 -1.64 0.08 0.00 0.02 0.00 0.00 46.19 44.60 2a4h s LEU 119 CO -0.00 -0.34 0.61 0.18 0.02 0.00 0.00 176.35 176.82 2a4h n LEU 120 N 4.35 0.00 -0.07 1.79 4.32 0.14 0.18 117.00 127.72 2a4h n LEU 120 Ca -0.02 -1.48 -0.11 0.00 -0.02 0.00 0.00 56.01 54.37 2a4h n LEU 120 Cb 0.42 -0.37 -0.04 0.00 -1.62 0.00 0.00 43.42 41.81 2a4h n LEU 120 CO 0.23 -0.76 -0.71 -0.67 -1.22 0.00 0.00 177.39 174.26 2a4h n ASP 121 N -2.80 1.61 0.00 -1.43 -0.08 -1.26 -2.85 116.55 109.74 2a4h n ASP 121 Ca 0.11 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 2a4h n ASP 121 Cb 0.39 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.24 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 -4.09 0.00 0.06 -1.67 0.00 -1.26 -4.25 120.51 109.30 2a4h n ALA 122 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.33 2a4h n ALA 122 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 2a4h n ALA 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2a4h n SER 123 N 0.00 0.66 0.00 0.00 7.64 -1.26 -4.96 113.62 115.70 2a4h n SER 123 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2a4h n SER 123 Cb 0.00 0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 2a4h n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a4h n GLY 124 N 1.26 1.49 0.11 0.23 0.00 -1.26 -5.06 105.19 101.96 2a4h n GLY 124 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 0.24 -4.01 1.61 1.63 -1.94 -3.49 116.57 110.61 2a4h h LYS 125 Ca 0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2a4h h LYS 125 Cb 0.00 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2a4h h LYS 125 CO 0.00 0.84 -0.35 0.28 -3.45 0.00 0.00 179.45 176.76 2a4h n VAL 126 N -4.53 -6.43 0.30 2.00 0.31 -1.26 -4.98 118.33 103.75 2a4h n VAL 126 Ca -0.08 0.65 -0.15 0.00 -0.01 0.00 0.00 64.34 64.75 2a4h n VAL 126 Cb 0.45 -5.43 -0.08 0.00 -0.91 0.00 0.00 33.84 27.87 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 1.18 -0.74 -4.31 5.55 1.08 0.16 -3.44 115.11 114.60 2a4h h GLN 127 Ca 0.00 0.05 -0.51 0.00 -1.45 0.00 0.00 58.65 56.74 2a4h h GLN 127 Cb 0.21 0.17 -0.35 0.00 -0.05 0.00 0.00 27.48 27.45 2a4h h GLN 127 CO 0.07 -0.43 -0.80 -1.21 -0.95 0.00 0.00 178.83 175.50 2a4h s GLU 128 N -5.12 1.49 -0.27 1.46 2.02 -1.10 -4.96 118.70 112.21 2a4h s GLU 128 Ca -0.15 -0.28 0.02 0.00 0.02 0.00 0.00 54.97 54.57 2a4h s GLU 128 Cb 0.02 -1.42 0.06 0.00 0.10 0.00 0.00 34.13 32.89 2a4h s GLU 128 CO 0.53 -0.14 -0.08 0.99 0.02 0.00 0.00 175.26 176.58 2a4h s THR 129 N 1.25 2.41 -0.12 3.63 2.01 -1.26 -1.26 115.64 122.30 2a4h s THR 129 Ca -0.04 -1.56 0.02 0.00 0.31 0.00 0.00 61.69 60.42 2a4h s THR 129 Cb -0.14 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 69.97 2a4h s THR 129 CO -0.03 -0.05 -0.18 -0.76 -0.69 0.00 0.00 174.62 172.91 2a4h s LEU 130 N 1.15 1.88 0.36 4.42 1.43 -0.20 -4.97 118.68 122.76 2a4h s LEU 130 Ca -0.08 -0.50 -0.27 0.00 -1.03 0.00 0.00 54.13 52.25 2a4h s LEU 130 Cb -0.20 -1.23 -0.10 0.00 0.03 0.00 0.00 46.19 44.69 2a4h s LEU 130 CO -0.04 0.05 1.29 -0.55 0.23 0.00 0.00 176.35 177.32 2a4h s SER 131 N 0.89 6.59 -0.14 2.29 0.15 -1.26 -0.96 113.70 121.26 2a4h s SER 131 Ca -0.07 2.63 0.17 0.00 0.70 0.00 0.00 55.95 59.37 2a4h s SER 131 Cb -0.15 -2.64 0.43 0.00 -1.71 0.00 0.00 66.02 61.95 2a4h s SER 131 CO -0.01 -0.65 1.20 2.30 1.20 0.00 0.00 173.24 177.27 2a4h n ILE 132 N 0.49 1.40 -0.11 6.45 -5.35 -0.34 -4.83 119.36 117.07 2a4h n ILE 132 Ca 0.02 -2.50 -0.05 0.00 -0.27 0.00 0.00 62.75 59.94 2a4h n ILE 132 Cb 0.43 0.21 0.02 0.00 -1.74 0.00 0.00 39.64 38.56 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 3.42 0.85 0.00 7.28 1.35 -1.93 -3.43 112.91 120.45 2a4h h THR 133 Ca -0.06 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2a4h h THR 133 Cb 1.37 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2a4h h THR 133 CO 0.09 0.05 0.00 0.29 -0.25 0.00 0.00 175.52 175.70 2a4h n LYS 134 N -5.05 0.00 0.00 4.72 5.02 -1.26 -4.70 118.16 116.89 2a4h n LYS 134 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2a4h n LYS 134 Cb 0.16 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 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 -3.61 117.44 118.96 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 0.50 0.00 -0.31 -0.99 6.94 -1.26 -5.16 115.26 114.98 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 -1.24 -4.61 114.28 119.58 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 -3.45 0.00 0.06 1.09 8.00 -1.26 -3.12 116.55 117.86 2a4h n ASP 138 Ca 0.00 0.00 0.21 0.00 0.71 0.00 0.00 54.79 55.71 2a4h n ASP 138 Cb 0.00 0.00 0.71 0.00 -0.02 0.00 0.00 41.12 41.81 2a4h n ASP 138 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2a4h h THR 139 N 0.00 0.32 -0.60 -3.53 2.02 -2.00 0.42 112.91 109.54 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 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 2a4h h THR 139 CO 0.00 0.00 0.35 1.62 0.37 0.00 0.00 175.52 177.86 2a4h h VAL 140 N 0.00 1.04 -0.98 3.16 3.04 -1.89 0.46 116.25 121.08 2a4h h VAL 140 Ca 0.23 -0.24 0.12 0.00 -1.01 0.00 0.00 66.70 65.80 2a4h h VAL 140 Cb 1.30 0.29 -0.08 0.00 -2.01 0.00 0.00 31.29 30.79 2a4h h VAL 140 CO -0.00 0.13 0.62 -0.08 -1.01 0.00 0.00 177.57 177.23 2a4h h GLU 141 N 0.69 0.94 -0.02 4.17 4.81 -0.47 0.39 114.58 125.10 2a4h h GLU 141 Ca 0.25 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 2a4h h GLU 141 Cb 0.07 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2a4h h GLU 141 CO -0.12 0.62 -0.56 1.49 -0.73 0.00 0.00 179.01 179.71 2a4h h GLU 142 N 0.97 0.05 -0.76 1.92 4.81 -1.00 -3.07 114.58 117.51 2a4h h GLU 142 Ca 0.48 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.86 2a4h h GLU 142 Cb 0.48 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.74 2a4h h GLU 142 CO -0.24 0.59 0.07 0.35 -0.73 0.00 0.00 179.01 179.05 2a4h h PHE 143 N 0.04 0.07 0.17 0.92 3.57 0.43 0.57 116.94 122.70 2a4h h PHE 143 Ca -0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2a4h h PHE 143 Cb 1.00 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2a4h h PHE 143 CO 0.00 -0.20 -0.08 0.74 -2.23 0.00 0.00 178.31 176.54 2a4h h PHE 144 N 0.15 -0.21 -1.19 0.41 0.04 -1.47 -1.64 116.94 113.03 2a4h h PHE 144 Ca 0.42 -0.00 0.34 0.00 2.80 0.00 0.00 57.97 61.53 2a4h h PHE 144 Cb 0.76 0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.93 2a4h h PHE 144 CO -0.37 -0.13 1.05 1.05 -0.60 0.00 0.00 178.31 179.32 2a4h h GLU 145 N -0.76 0.00 0.00 1.51 -0.00 -1.43 1.52 114.58 115.42 2a4h h GLU 145 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.14 2a4h h GLU 145 Cb 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.88 2a4h h GLU 145 CO 0.04 0.00 -1.73 0.25 -0.00 0.00 0.00 179.01 177.57 2a4h n THR 146 N -3.70 1.09 1.01 -1.06 -2.24 0.18 -4.16 114.28 105.38 2a4h n THR 146 Ca 0.26 -0.71 0.11 0.00 -2.27 0.00 0.00 64.05 61.44 2a4h n THR 146 Cb 1.42 -0.59 0.04 0.00 -2.10 0.00 0.00 70.33 69.10 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 -2.78 0.00 -3.41 4.78 8.25 0.42 -4.67 115.22 117.81 2a4h n HIS 147 Ca -0.14 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.12 2a4h n HIS 147 Cb 0.88 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.88 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 -2.97 3.57 0.00 2.41 1.43 0.41 0.14 118.68 123.67 2a4h s LEU 148 Ca 0.10 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2a4h s LEU 148 Cb 0.17 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2a4h s LEU 148 CO 0.79 -0.62 0.00 0.00 0.23 0.00 0.00 176.35 176.75 2a4h n ALA 149 N -1.63 0.00 -1.56 4.21 0.00 -1.26 -4.81 120.51 115.46 2a4h n ALA 149 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 2a4h n ALA 149 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 2a4h n ALA 149 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2a4h n LYS 150 N 0.00 -1.42 -0.06 0.00 4.76 -1.26 -4.64 118.16 115.54 2a4h n LYS 150 Ca 0.00 1.18 0.01 0.00 -2.87 0.00 0.00 58.31 56.63 2a4h n LYS 150 Cb 0.00 -5.54 -0.00 0.00 -1.84 0.00 0.00 35.03 27.65 2a4h n LYS 150 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2a4h n ASP 151 N -1.24 -1.61 -0.15 4.39 5.68 -1.26 -3.83 116.55 118.53 2a4h n ASP 151 Ca -0.19 0.06 -0.07 0.00 -0.50 0.00 0.00 54.79 54.09 2a4h n ASP 151 Cb 0.65 -0.24 0.02 0.00 -1.14 0.00 0.00 41.12 40.41 2a4h n ASP 151 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2a4h h GLY 152 N -0.06 0.63 -5.17 6.12 0.00 -1.86 -3.39 103.07 99.34 2a4h h GLY 152 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2a4h h GLY 152 CO 0.00 0.19 -0.89 0.00 0.00 0.00 0.00 176.54 175.84 2a4h n ALA 153 N -2.24 -2.37 -3.05 3.60 0.00 -1.25 -4.39 120.51 110.80 2a4h n ALA 153 Ca 0.02 1.19 -0.13 0.00 0.00 0.00 0.00 53.44 54.52 2a4h n ALA 153 Cb 0.05 -2.60 0.05 0.00 0.00 0.00 0.00 19.45 16.95 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 2.01 -0.03 3.61 0.00 0.00 -1.26 -4.91 105.19 104.60 2a4h n GLY 154 Ca -0.19 -0.10 -0.48 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.18 1.42 -3.03 1.61 5.02 -1.26 -4.96 118.16 113.78 2a4h n LYS 155 Ca -0.09 0.51 -0.27 0.00 -2.02 0.00 0.00 58.31 56.43 2a4h n LYS 155 Cb 0.57 -2.09 -0.02 0.00 -0.02 0.00 0.00 35.03 33.47 2a4h n LYS 155 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2a4h s ASN 156 N 0.24 6.37 0.00 4.39 2.47 -1.26 -5.10 114.94 122.04 2a4h s ASN 156 Ca 0.75 0.80 0.00 0.00 0.42 0.00 0.00 52.86 54.83 2a4h s ASN 156 Cb -0.82 -2.18 0.00 0.00 -1.45 0.00 0.00 41.25 36.80 2a4h s ASN 156 CO 0.49 -0.38 0.00 -0.24 -3.72 0.00 0.00 177.10 173.26 2a4h n SER 157 N -1.62 1.10 -4.75 -4.21 2.88 -1.26 -5.02 113.62 100.74 2a4h n SER 157 Ca -0.01 -0.71 -0.41 0.00 -1.33 0.00 0.00 58.87 56.40 2a4h n SER 157 Cb 0.55 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 2a4h n SER 157 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2a4h s TYR 158 N -1.00 2.86 0.00 0.66 1.13 -1.26 -4.94 117.35 114.79 2a4h s TYR 158 Ca 0.00 0.82 0.00 0.00 -1.41 0.00 0.00 57.07 56.48 2a4h s TYR 158 Cb 0.00 -3.99 0.00 0.00 -1.10 0.00 0.00 41.96 36.87 2a4h s TYR 158 CO 0.00 -3.34 0.00 0.43 -2.51 0.00 0.00 175.55 170.13 2a4h n SER 159 N 2.42 0.00 -4.09 -0.18 7.64 -1.26 -5.10 113.62 113.06 2a4h n SER 159 Ca 0.08 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.76 2a4h n SER 159 Cb 0.38 -0.06 0.12 0.00 -1.01 0.00 0.00 64.21 63.64 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 -1.61 0.00 -4.49 0.44 0.24 -1.26 -5.10 118.33 106.55 2a4h n VAL 160 Ca 0.00 -1.26 -0.34 0.00 -2.04 0.00 0.00 64.34 60.70 2a4h n VAL 160 Cb 0.00 -1.07 -0.11 0.00 -1.47 0.00 0.00 33.84 31.19 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 -2.77 3.90 0.99 3.34 1.01 -1.26 -5.12 120.40 120.49 2a4h s VAL 161 Ca 0.58 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 2a4h s VAL 161 Cb -0.03 -2.64 0.23 0.00 0.00 0.00 0.00 36.38 33.93 2a4h s VAL 161 CO 0.39 0.56 1.35 -0.62 0.00 0.00 0.00 175.10 176.79 2a4h n GLU 162 N 2.66 -1.32 -2.58 2.72 4.71 -1.26 -5.04 120.64 120.54 2a4h n GLU 162 Ca -0.18 -2.10 -0.35 0.00 -0.01 0.00 0.00 57.16 54.53 2a4h n GLU 162 Cb 0.53 -1.39 -0.04 0.00 -1.01 0.00 0.00 31.44 29.53 2a4h n GLU 162 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2a4h s ASP 163 N -5.95 6.56 0.37 1.62 -1.08 -1.26 -5.07 116.67 111.87 2a4h s ASP 163 Ca 0.77 1.93 0.04 0.00 -0.52 0.00 0.00 52.55 54.77 2a4h s ASP 163 Cb -0.02 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 38.84 2a4h s ASP 163 CO 0.54 -0.63 0.14 0.00 0.52 0.00 0.00 175.17 175.75 2a4h s ALA 164 N -1.89 2.53 -0.25 3.66 0.00 -1.26 -5.08 121.76 119.47 2a4h s ALA 164 Ca 0.63 -1.52 0.18 0.00 0.00 0.00 0.00 51.96 51.25 2a4h s ALA 164 Cb -0.17 0.91 0.42 0.00 0.00 0.00 0.00 23.12 24.28 2a4h s ALA 164 CO 0.22 -0.41 1.28 -3.47 0.00 0.00 0.00 175.76 173.38 2a4h n ASP 165 N -1.18 0.12 -0.27 0.00 2.03 -1.26 -4.89 116.55 111.09 2a4h n ASP 165 Ca -0.03 -2.10 0.03 0.00 0.52 0.00 0.00 54.79 53.21 2a4h n ASP 165 Cb 0.65 0.06 0.05 0.00 -0.72 0.00 0.00 41.12 41.16 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 -0.84 1.29 2.49 0.27 0.00 -1.26 -4.84 105.19 102.30 2a4h n GLY 166 Ca -0.06 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.77 1.41 -0.32 1.61 2.15 -1.26 -4.95 116.67 114.54 2a4h s ASP 167 Ca 0.09 -2.54 0.16 0.00 0.43 0.00 0.00 52.55 50.69 2a4h s ASP 167 Cb 0.05 -0.05 0.44 0.00 -0.30 0.00 0.00 42.92 43.07 2a4h s ASP 167 CO 0.07 -0.20 1.32 -0.90 -0.17 0.00 0.00 175.17 175.29 2a4h n ASP 168 N 3.31 -0.31 -1.58 -0.34 5.68 -1.26 -5.13 116.55 116.92 2a4h n ASP 168 Ca 0.22 -2.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 2a4h n ASP 168 Cb 0.46 0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.70 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 -0.94 -8.49 -4.56 -1.12 8.00 -1.26 -4.50 116.55 103.69 2a4h n ASP 169 Ca -0.05 1.80 -0.30 0.00 0.71 0.00 0.00 54.79 56.96 2a4h n ASP 169 Cb 0.84 -5.05 -0.05 0.00 -0.02 0.00 0.00 41.12 36.85 2a4h n ASP 169 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2a4h s GLU 170 N -5.20 2.77 -0.15 -1.24 8.01 -1.26 -4.67 118.70 116.96 2a4h s GLU 170 Ca 0.00 -0.51 0.15 0.00 0.01 0.00 0.00 54.97 54.62 2a4h s GLU 170 Cb 0.00 -5.13 0.33 0.00 -4.31 0.00 0.00 34.13 25.02 2a4h s GLU 170 CO 0.00 -3.17 1.17 -0.25 0.01 0.00 0.00 175.26 173.02 2a4h n ASP 171 N 12.95 1.85 0.07 -0.19 8.00 -1.26 -4.51 116.55 133.46 2a4h n ASP 171 Ca 0.39 -3.28 0.21 0.00 0.71 0.00 0.00 54.79 52.82 2a4h n ASP 171 Cb 0.48 -0.45 0.70 0.00 -0.02 0.00 0.00 41.12 41.83 2a4h n ASP 171 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2a4h h TYR 172 N 0.46 0.00 0.00 1.24 0.05 -1.96 -3.33 116.97 113.44 2a4h h TYR 172 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2a4h h TYR 172 Cb 1.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2a4h h TYR 172 CO 0.32 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.71 2a4h n LEU 173 N -3.56 0.16 0.00 3.88 4.77 -1.26 -5.11 117.00 115.88 2a4h n LEU 173 Ca 0.09 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2a4h n LEU 173 Cb 0.74 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2a4h n LEU 173 CO 0.25 -0.54 0.00 0.54 -1.33 0.00 0.00 177.39 176.31 2a4h n ARG 174 N -2.66 0.00 0.09 3.23 1.74 -1.25 -5.10 116.66 112.71 2a4h n ARG 174 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2a4h n ARG 174 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2a4h n ARG 174 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2a4h n THR 175 N -1.01 0.00 -3.71 0.55 -2.24 -1.26 -4.69 114.28 101.92 2a4h n THR 175 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2a4h n THR 175 Cb 0.00 -0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.00 2a4h n THR 175 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2a4h n ASN 176 N -2.95 -1.05 -0.13 3.42 3.02 -1.26 -4.80 115.26 111.52 2a4h n ASN 176 Ca 0.00 -2.08 -0.11 0.00 -0.03 0.00 0.00 54.58 52.36 2a4h n ASN 176 Cb 0.00 1.85 -0.02 0.00 -0.61 0.00 0.00 39.78 41.00 2a4h n ASN 176 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2a4h h ARG 177 N 0.00 0.65 0.00 3.52 3.08 -2.02 -3.52 114.38 116.10 2a4h h ARG 177 Ca -0.18 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2a4h h ARG 177 Cb 0.73 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2a4h h ARG 177 CO 0.24 0.77 0.00 -0.89 -1.07 0.00 0.00 179.97 179.02