#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b4j n SER 57 N 0.00 1.54 0.00 0.00 7.64 -1.26 -4.80 113.62 116.73 2b4j n SER 57 Ca 0.00 1.12 0.10 0.00 1.01 0.00 0.00 58.87 61.10 2b4j n SER 57 Cb 0.00 -1.15 0.52 0.00 -1.01 0.00 0.00 64.21 62.56 2b4j n SER 57 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2b4j n PRO 58 N 2.70 0.31 -0.64 1.43 -0.02 -1.26 -3.23 135.00 134.30 2b4j n PRO 58 Ca 0.19 0.09 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 2b4j n PRO 58 Cb 0.17 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.44 2b4j n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b4j n GLY 59 N 0.43 3.88 3.72 -1.23 0.00 -1.26 -4.92 105.19 105.80 2b4j n GLY 59 Ca 0.10 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 2b4j n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b4j s ILE 60 N -2.88 5.32 0.07 -0.61 -1.09 -1.20 -0.86 121.20 119.95 2b4j s ILE 60 Ca 0.47 0.47 0.07 0.00 -2.23 0.00 0.00 60.65 59.42 2b4j s ILE 60 Cb 0.38 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 2b4j s ILE 60 CO 0.10 0.38 -0.19 0.26 -1.23 0.00 0.00 174.94 174.26 2b4j s TRP 61 N 0.57 1.64 -0.08 3.97 0.52 0.07 -2.29 118.94 123.34 2b4j s TRP 61 Ca 0.14 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 55.85 2b4j s TRP 61 Cb -0.13 -0.93 -0.03 0.00 -1.15 0.00 0.00 33.47 31.23 2b4j s TRP 61 CO 0.03 0.13 -0.01 -0.65 0.02 0.00 0.00 176.95 176.47 2b4j s GLN 62 N -1.57 2.94 -0.00 4.98 -0.21 -0.30 -0.46 119.66 125.04 2b4j s GLN 62 Ca 0.05 -0.43 0.08 0.00 0.02 0.00 0.00 55.36 55.07 2b4j s GLN 62 Cb -0.09 -2.76 -0.02 0.00 1.00 0.00 0.00 33.01 31.14 2b4j s GLN 62 CO 0.03 0.69 -0.24 -0.51 -2.12 0.00 0.00 175.29 173.14 2b4j s LEU 63 N -0.86 2.08 0.26 2.90 1.02 -0.11 -0.83 118.68 123.13 2b4j s LEU 63 Ca 0.13 -0.47 -0.19 0.00 0.02 0.00 0.00 54.13 53.62 2b4j s LEU 63 Cb -0.11 -1.21 0.02 0.00 0.02 0.00 0.00 46.19 44.91 2b4j s LEU 63 CO 0.02 0.27 0.65 1.51 0.02 0.00 0.00 176.35 178.82 2b4j s ASP 64 N -0.74 -0.24 -0.07 2.29 3.84 -0.49 -4.47 116.67 116.79 2b4j s ASP 64 Ca 0.09 -0.64 0.01 0.00 -0.00 0.00 0.00 52.55 52.02 2b4j s ASP 64 Cb -0.09 0.68 -0.03 0.00 -1.38 0.00 0.00 42.92 42.10 2b4j s ASP 64 CO -0.00 -1.27 -0.10 0.00 -0.00 0.00 0.00 175.17 173.80 2b4j s THR 66 N -0.60 1.38 0.04 0.00 -1.32 -0.07 -4.98 115.64 110.09 2b4j s THR 66 Ca 0.09 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.62 2b4j s THR 66 Cb -0.11 -2.76 -0.02 0.00 -1.51 0.00 0.00 72.50 68.09 2b4j s THR 66 CO 0.02 0.00 -0.15 -1.00 -2.21 0.00 0.00 174.62 171.28 2b4j s HIS 67 N -3.07 1.28 -0.23 9.09 3.76 -1.26 -1.01 115.29 123.83 2b4j s HIS 67 Ca 0.32 -0.35 -0.18 0.00 -0.15 0.00 0.00 55.06 54.70 2b4j s HIS 67 Cb 0.08 -0.76 0.07 0.00 1.11 0.00 0.00 32.58 33.08 2b4j s HIS 67 CO 0.15 0.04 0.60 -0.51 -0.85 0.00 0.00 174.74 174.17 2b4j s LEU 68 N -1.14 -0.48 -1.42 0.89 1.43 -0.85 -4.95 118.68 112.17 2b4j s LEU 68 Ca 0.02 1.26 -0.03 0.00 -1.03 0.00 0.00 54.13 54.35 2b4j s LEU 68 Cb -0.08 2.06 0.01 0.00 0.03 0.00 0.00 46.19 48.22 2b4j s LEU 68 CO 0.01 -0.22 0.24 -0.62 0.23 0.00 0.00 176.35 175.99 2b4j n GLU 69 N 3.45 -2.95 -0.99 1.70 1.02 -1.26 -0.79 120.64 120.82 2b4j n GLU 69 Ca -0.17 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2b4j n GLU 69 Cb 0.57 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 2b4j n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b4j n GLY 70 N -1.11 0.39 3.68 0.62 0.00 -1.26 -5.01 105.19 102.51 2b4j n GLY 70 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 2b4j n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b4j s LYS 71 N -0.53 2.46 -0.17 1.61 1.02 0.03 -5.12 119.74 119.04 2b4j s LYS 71 Ca 0.00 -1.16 -0.08 0.00 0.02 0.00 0.00 55.97 54.76 2b4j s LYS 71 Cb 0.00 -2.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 2b4j s LYS 71 CO 0.00 0.43 0.08 0.54 -0.92 0.00 0.00 175.35 175.48 2b4j s VAL 72 N -1.91 4.97 -0.22 3.17 0.11 -1.26 -2.01 120.40 123.25 2b4j s VAL 72 Ca 0.29 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.34 2b4j s VAL 72 Cb -0.09 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 2b4j s VAL 72 CO 0.20 0.48 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.75 2b4j s ILE 73 N 0.16 3.08 -0.14 7.04 1.01 -0.18 -0.99 121.20 131.17 2b4j s ILE 73 Ca 0.06 -0.69 -0.23 0.00 0.00 0.00 0.00 60.65 59.79 2b4j s ILE 73 Cb -0.12 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 2b4j s ILE 73 CO 0.00 0.38 0.70 -0.22 0.00 0.00 0.00 174.94 175.80 2b4j s LEU 74 N 1.42 4.22 -0.10 2.97 2.96 0.46 -0.89 118.68 129.71 2b4j s LEU 74 Ca 0.04 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.03 2b4j s LEU 74 Cb -0.15 -3.04 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 2b4j s LEU 74 CO -0.05 -0.24 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.85 2b4j s VAL 75 N 1.53 2.48 -0.07 1.68 1.01 0.13 -1.34 120.40 125.83 2b4j s VAL 75 Ca 0.34 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2b4j s VAL 75 Cb -0.17 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 2b4j s VAL 75 CO 0.14 0.55 -0.21 0.00 0.00 0.00 0.00 175.10 175.58 2b4j s ALA 76 N 0.19 2.33 -0.11 5.51 0.00 0.18 -1.39 121.76 128.47 2b4j s ALA 76 Ca -0.12 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.87 2b4j s ALA 76 Cb -0.16 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.14 2b4j s ALA 76 CO 0.06 0.40 -0.19 0.08 0.00 0.00 0.00 175.76 176.11 2b4j s VAL 77 N -0.12 1.74 -0.51 0.00 1.01 -0.01 -1.03 120.40 121.48 2b4j s VAL 77 Ca -0.04 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 2b4j s VAL 77 Cb -0.14 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.73 2b4j s VAL 77 CO 0.04 0.49 1.08 -2.28 0.00 0.00 0.00 175.10 174.43 2b4j s HIS 78 N 0.71 2.79 0.17 5.22 2.46 0.37 -1.15 115.29 125.85 2b4j s HIS 78 Ca -0.11 0.49 -0.14 0.00 0.47 0.00 0.00 55.06 55.76 2b4j s HIS 78 Cb -0.16 -4.32 0.05 0.00 -0.13 0.00 0.00 32.58 28.02 2b4j s HIS 78 CO 0.02 -1.32 1.81 0.28 -2.47 0.00 0.00 174.74 173.06 2b4j h VAL 79 N 6.16 1.15 -0.38 0.89 2.07 -1.77 0.15 116.25 124.52 2b4j h VAL 79 Ca -0.24 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 66.97 2b4j h VAL 79 Cb 1.06 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2b4j h VAL 79 CO 1.12 0.15 0.26 0.00 0.02 0.00 0.00 177.57 179.11 2b4j h ALA 80 N 1.15 1.78 0.00 1.67 0.00 -1.84 -3.30 119.26 118.72 2b4j h ALA 80 Ca 0.18 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2b4j h ALA 80 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2b4j h ALA 80 CO -0.04 0.19 -1.72 -1.13 0.00 0.00 0.00 179.25 176.55 2b4j n SER 81 N -4.48 1.95 0.00 0.00 3.41 -0.92 -4.86 113.62 108.72 2b4j n SER 81 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2b4j n SER 81 Cb 0.10 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 2b4j n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b4j n GLY 82 N 1.98 0.73 3.78 5.00 0.00 -0.00 -4.67 105.19 112.01 2b4j n GLY 82 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2b4j n GLY 82 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2b4j s TYR 83 N -2.89 2.65 0.16 1.61 6.14 -1.24 -4.81 117.35 118.97 2b4j s TYR 83 Ca 0.00 1.22 0.08 0.00 0.64 0.00 0.00 57.07 59.01 2b4j s TYR 83 Cb 0.00 -3.96 -0.04 0.00 0.42 0.00 0.00 41.96 38.38 2b4j s TYR 83 CO 0.00 -2.79 -0.16 0.96 0.64 0.00 0.00 175.55 174.19 2b4j s ILE 84 N -1.13 1.69 0.07 3.14 -4.36 -1.26 -0.48 121.20 118.87 2b4j s ILE 84 Ca 0.53 -1.93 0.06 0.00 -0.26 0.00 0.00 60.65 59.04 2b4j s ILE 84 Cb -0.45 -1.81 -0.03 0.00 1.25 0.00 0.00 42.46 41.42 2b4j s ILE 84 CO 0.61 -0.40 -0.15 -1.61 0.24 0.00 0.00 174.94 173.63 2b4j s GLU 85 N -2.94 0.88 -0.07 0.37 2.02 -0.20 -4.94 118.70 113.82 2b4j s GLU 85 Ca 0.16 -0.98 -0.30 0.00 0.02 0.00 0.00 54.97 53.87 2b4j s GLU 85 Cb -0.04 -0.93 0.07 0.00 0.10 0.00 0.00 34.13 33.32 2b4j s GLU 85 CO 0.06 0.21 0.67 0.00 0.02 0.00 0.00 175.26 176.21 2b4j s ALA 86 N -1.23 -1.72 -0.12 5.21 0.00 -1.26 0.50 121.76 123.14 2b4j s ALA 86 Ca -0.00 1.33 -0.20 0.00 0.00 0.00 0.00 51.96 53.09 2b4j s ALA 86 Cb -0.10 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.98 2b4j s ALA 86 CO 0.03 -0.36 0.50 -2.00 0.00 0.00 0.00 175.76 173.92 2b4j s GLU 87 N -1.07 0.71 0.11 0.00 2.12 -0.45 -4.77 118.70 115.36 2b4j s GLU 87 Ca -0.10 0.39 -0.31 0.00 0.36 0.00 0.00 54.97 55.31 2b4j s GLU 87 Cb -0.01 0.34 -0.09 0.00 0.26 0.00 0.00 34.13 34.63 2b4j s GLU 87 CO 0.09 -0.15 1.56 0.08 -0.54 0.00 0.00 175.26 176.30 2b4j s VAL 88 N -0.43 2.93 0.05 3.70 1.01 -1.26 -0.41 120.40 125.99 2b4j s VAL 88 Ca -0.06 0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.57 2b4j s VAL 88 Cb -0.03 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2b4j s VAL 88 CO 0.04 0.02 -0.22 0.27 0.00 0.00 0.00 175.10 175.21 2b4j s ILE 89 N 1.76 2.52 0.55 2.22 -4.36 -0.16 -4.92 121.20 118.80 2b4j s ILE 89 Ca 0.70 -1.30 0.22 0.00 -0.26 0.00 0.00 60.65 60.01 2b4j s ILE 89 Cb -0.41 -2.04 0.31 0.00 1.25 0.00 0.00 42.46 41.57 2b4j s ILE 89 CO 0.31 0.33 2.18 1.55 0.24 0.00 0.00 174.94 179.56 2b4j h PRO 90 N 4.59 0.00 -2.15 0.37 0.13 -1.96 -3.37 132.00 129.61 2b4j h PRO 90 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2b4j h PRO 90 Cb 1.15 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.10 2b4j h PRO 90 CO 0.46 0.00 0.24 0.00 -0.23 0.00 0.00 178.00 178.46 2b4j s ALA 91 N -4.90 -1.76 -1.27 -0.56 0.00 -1.26 -4.95 121.76 107.06 2b4j s ALA 91 Ca -0.05 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.97 2b4j s ALA 91 Cb 0.16 0.11 0.14 0.00 0.00 0.00 0.00 23.12 23.53 2b4j s ALA 91 CO 0.62 -0.45 1.70 -1.91 0.00 0.00 0.00 175.76 175.72 2b4j n GLU 92 N 0.63 3.37 -4.29 0.00 2.13 -1.26 -4.71 120.64 116.50 2b4j n GLU 92 Ca -0.18 -3.54 -0.16 0.00 0.66 0.00 0.00 57.16 53.95 2b4j n GLU 92 Cb 0.59 -3.10 -0.10 0.00 0.27 0.00 0.00 31.44 29.09 2b4j n GLU 92 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2b4j s THR 93 N 1.80 1.20 0.24 6.31 -4.23 -1.26 -4.64 115.64 115.05 2b4j s THR 93 Ca 0.44 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.83 2b4j s THR 93 Cb 0.04 -2.04 0.20 0.00 1.34 0.00 0.00 72.50 72.04 2b4j s THR 93 CO 0.01 -0.59 1.78 1.23 -0.54 0.00 0.00 174.62 176.51 2b4j h GLY 94 N 2.65 1.16 0.83 3.99 0.00 -1.82 -1.97 103.07 107.91 2b4j h GLY 94 Ca -0.37 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 46.74 2b4j h GLY 94 CO 0.64 0.06 0.12 -1.61 0.00 0.00 0.00 176.54 175.74 2b4j h GLN 95 N 0.64 0.25 -0.60 4.80 5.75 -1.94 0.16 115.11 124.17 2b4j h GLN 95 Ca 0.38 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.78 2b4j h GLN 95 Cb 0.41 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 2b4j h GLN 95 CO -0.28 0.16 0.06 0.93 -2.65 0.00 0.00 178.83 177.05 2b4j h GLU 96 N 0.25 1.01 -0.46 1.69 4.39 -1.80 -0.66 114.58 119.00 2b4j h GLU 96 Ca 0.12 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 2b4j h GLU 96 Cb 0.06 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2b4j h GLU 96 CO -0.10 0.96 -0.06 1.15 -1.16 0.00 0.00 179.01 179.79 2b4j h THR 97 N 0.94 1.27 -0.62 1.13 2.02 -1.13 -2.19 112.91 114.32 2b4j h THR 97 Ca 0.18 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 2b4j h THR 97 Cb 0.47 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 2b4j h THR 97 CO 0.02 0.40 0.26 0.00 0.37 0.00 0.00 175.52 176.56 2b4j h ALA 98 N 0.89 0.81 -0.17 6.16 0.00 -0.34 -1.05 119.26 125.55 2b4j h ALA 98 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2b4j h ALA 98 Cb 0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2b4j h ALA 98 CO 0.04 0.42 0.05 -0.92 0.00 0.00 0.00 179.25 178.83 2b4j h TYR 99 N 0.87 0.29 -0.64 0.00 3.20 -1.09 -0.72 116.97 118.87 2b4j h TYR 99 Ca 0.21 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.13 2b4j h TYR 99 Cb 0.19 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.31 2b4j h TYR 99 CO 0.01 0.39 0.30 0.35 -1.64 0.00 0.00 178.16 177.57 2b4j h PHE 100 N 0.10 0.53 -0.39 -3.82 3.57 -1.30 -1.95 116.94 113.69 2b4j h PHE 100 Ca 0.06 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.44 2b4j h PHE 100 Cb 0.25 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2b4j h PHE 100 CO 0.00 0.19 -0.34 -0.07 -2.23 0.00 0.00 178.31 175.87 2b4j h LEU 101 N 0.53 0.93 -0.84 0.59 3.38 -0.93 -0.79 115.31 118.18 2b4j h LEU 101 Ca 0.31 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2b4j h LEU 101 Cb 0.33 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2b4j h LEU 101 CO -0.26 1.18 0.48 -0.07 0.09 0.00 0.00 178.44 179.86 2b4j h LEU 102 N 0.74 1.03 -0.23 1.67 3.38 -0.96 0.27 115.31 121.20 2b4j h LEU 102 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2b4j h LEU 102 Cb 0.91 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2b4j h LEU 102 CO 0.08 0.82 0.15 0.11 0.09 0.00 0.00 178.44 179.69 2b4j h LYS 103 N 1.16 0.31 -0.45 1.13 1.57 -1.16 -2.98 116.57 116.15 2b4j h LYS 103 Ca 0.30 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.06 2b4j h LYS 103 Cb -0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2b4j h LYS 103 CO -0.05 0.23 0.29 1.25 -0.57 0.00 0.00 179.45 180.61 2b4j h LEU 104 N 0.30 0.50 -1.54 2.94 5.85 -0.81 -2.90 115.31 119.66 2b4j h LEU 104 Ca 0.08 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2b4j h LEU 104 Cb -0.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2b4j h LEU 104 CO -0.02 0.36 0.32 0.00 -0.34 0.00 0.00 178.44 178.77 2b4j h ALA 105 N 1.17 1.68 0.00 1.25 0.00 -0.99 -1.91 119.26 120.47 2b4j h ALA 105 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2b4j h ALA 105 Cb -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2b4j h ALA 105 CO -0.04 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2b4j n GLY 106 N -1.47 -1.60 0.12 0.00 0.00 -1.10 -3.91 105.19 97.23 2b4j n GLY 106 Ca 0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 2b4j n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b4j n ARG 107 N -2.21 0.69 -4.39 1.61 1.74 -0.78 -5.02 116.66 108.30 2b4j n ARG 107 Ca 0.05 0.20 -0.19 0.00 -0.77 0.00 0.00 57.85 57.13 2b4j n ARG 107 Cb 0.38 -1.65 -0.10 0.00 -1.02 0.00 0.00 32.46 30.07 2b4j n ARG 107 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2b4j s TRP 108 N -2.55 1.78 -0.42 -1.55 0.52 -0.82 -5.09 118.94 110.82 2b4j s TRP 108 Ca -0.20 -1.03 -0.28 0.00 0.02 0.00 0.00 56.10 54.61 2b4j s TRP 108 Cb 0.07 -1.12 0.02 0.00 -1.15 0.00 0.00 33.47 31.30 2b4j s TRP 108 CO 0.75 -0.11 1.06 -1.25 0.02 0.00 0.00 176.95 177.42 2b4j s PRO 109 N -3.93 3.81 -0.35 4.98 0.04 -1.26 -4.56 135.00 133.73 2b4j s PRO 109 Ca 0.36 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 61.99 2b4j s PRO 109 Cb 0.08 -3.85 0.05 0.00 0.04 0.00 0.00 34.50 30.82 2b4j s PRO 109 CO 0.14 -1.17 0.13 0.08 0.04 0.00 0.00 177.00 176.22 2b4j s VAL 110 N 4.02 3.85 -0.23 -0.36 1.01 -1.26 -4.62 120.40 122.80 2b4j s VAL 110 Ca 0.44 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2b4j s VAL 110 Cb -0.09 -3.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.93 2b4j s VAL 110 CO 0.25 -0.23 -0.21 0.29 0.00 0.00 0.00 175.10 175.19 2b4j n LYS 111 N 4.82 0.56 -3.98 2.72 4.76 -0.04 -4.58 118.16 122.42 2b4j n LYS 111 Ca -0.12 0.14 -0.17 0.00 -2.87 0.00 0.00 58.31 55.29 2b4j n LYS 111 Cb 0.44 -1.45 -0.16 0.00 -1.84 0.00 0.00 35.03 32.03 2b4j n LYS 111 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2b4j s THR 112 N -2.46 0.23 -0.15 -0.18 2.01 -0.88 -0.27 115.64 113.95 2b4j s THR 112 Ca -0.31 0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.72 2b4j s THR 112 Cb 0.08 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.30 2b4j s THR 112 CO 0.52 0.14 -0.17 0.68 -0.69 0.00 0.00 174.62 175.10 2b4j s VAL 113 N 0.83 2.48 -0.23 3.82 -7.23 0.40 -0.75 120.40 119.72 2b4j s VAL 113 Ca -0.09 -0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 59.14 2b4j s VAL 113 Cb -0.12 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 2b4j s VAL 113 CO -0.01 0.52 0.18 -1.00 -0.31 0.00 0.00 175.10 174.48 2b4j s HIS 114 N 0.82 3.33 0.29 2.82 3.76 0.39 -1.27 115.29 125.43 2b4j s HIS 114 Ca -0.06 0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.14 2b4j s HIS 114 Cb -0.15 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 2b4j s HIS 114 CO -0.01 0.08 0.13 0.95 -0.85 0.00 0.00 174.74 175.04 2b4j s THR 115 N 1.03 0.48 0.29 1.30 -4.23 -0.63 -0.94 115.64 112.94 2b4j s THR 115 Ca 0.08 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.55 2b4j s THR 115 Cb -0.13 -2.56 0.07 0.00 1.34 0.00 0.00 72.50 71.21 2b4j s THR 115 CO 0.04 0.00 0.40 -0.90 -0.54 0.00 0.00 174.62 173.62 2b4j n ASP 116 N -0.76 0.05 -0.47 3.99 5.68 -1.26 -4.17 116.55 119.62 2b4j n ASP 116 Ca -0.00 -1.16 0.05 0.00 -0.50 0.00 0.00 54.79 53.18 2b4j n ASP 116 Cb 0.65 -0.30 0.16 0.00 -1.14 0.00 0.00 41.12 40.50 2b4j n ASP 116 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2b4j n ASN 117 N -3.24 1.38 -4.69 -1.12 5.03 -1.26 -4.75 115.26 106.60 2b4j n ASN 117 Ca 0.05 -1.94 -0.36 0.00 0.87 0.00 0.00 54.58 53.20 2b4j n ASN 117 Cb 0.18 -0.16 0.09 0.00 -1.02 0.00 0.00 39.78 38.86 2b4j n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2b4j n GLY 118 N 0.94 0.18 0.22 7.41 0.00 -1.26 -4.72 105.19 107.94 2b4j n GLY 118 Ca 0.10 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.94 2b4j n GLY 118 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2b4j h SER 119 N -0.02 0.00 0.79 1.61 4.64 -1.95 -1.21 113.55 117.41 2b4j h SER 119 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 2b4j h SER 119 Cb 1.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2b4j h SER 119 CO 0.50 0.23 -0.13 -0.55 -0.87 0.00 0.00 176.83 176.01 2b4j h ASN 120 N 0.00 0.00 0.38 4.97 -1.07 -1.88 0.02 115.58 118.00 2b4j h ASN 120 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.06 2b4j h ASN 120 Cb 0.83 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.03 2b4j h ASN 120 CO 0.03 0.13 -1.84 0.49 0.07 0.00 0.00 177.43 176.30 2b4j n PHE 121 N -3.34 0.89 1.06 4.14 3.72 -0.52 -3.82 117.46 119.58 2b4j n PHE 121 Ca -0.00 0.30 0.11 0.00 -0.05 0.00 0.00 57.45 57.81 2b4j n PHE 121 Cb 0.34 -1.16 0.13 0.00 -0.94 0.00 0.00 39.48 37.84 2b4j n PHE 121 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2b4j n THR 122 N -3.06 0.00 -1.40 4.37 -2.24 -0.81 -4.68 114.28 106.46 2b4j n THR 122 Ca -0.21 -0.08 -0.50 0.00 -2.27 0.00 0.00 64.05 60.98 2b4j n THR 122 Cb 1.06 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.94 2b4j n THR 122 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2b4j n SER 123 N -1.01 -0.83 0.30 3.42 2.88 -0.02 -4.77 113.62 113.60 2b4j n SER 123 Ca 0.07 1.11 0.20 0.00 -1.33 0.00 0.00 58.87 58.92 2b4j n SER 123 Cb 0.36 -0.92 0.96 0.00 -0.75 0.00 0.00 64.21 63.87 2b4j n SER 123 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2b4j h THR 124 N 1.60 0.00 -0.33 2.46 1.35 -1.92 -1.01 112.91 115.07 2b4j h THR 124 Ca -0.34 -0.21 -0.14 0.00 -0.55 0.00 0.00 66.41 65.17 2b4j h THR 124 Cb 1.40 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 2b4j h THR 124 CO 0.58 0.00 -0.35 0.00 -0.25 0.00 0.00 175.52 175.50 2b4j h THR 125 N 0.00 1.28 -0.33 6.82 1.03 -1.91 -0.85 112.91 118.95 2b4j h THR 125 Ca 0.00 -1.51 -0.06 0.00 -0.01 0.00 0.00 66.41 64.84 2b4j h THR 125 Cb 0.22 1.40 -0.01 0.00 -1.07 0.00 0.00 68.15 68.69 2b4j h THR 125 CO 0.00 0.49 -0.01 0.58 -0.01 0.00 0.00 175.52 176.57 2b4j h VAL 126 N 0.62 1.26 -0.96 0.00 2.07 -1.61 -2.00 116.25 115.63 2b4j h VAL 126 Ca 0.06 -0.99 0.09 0.00 0.82 0.00 0.00 66.70 66.68 2b4j h VAL 126 Cb 0.88 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 2b4j h VAL 126 CO 0.08 0.32 0.60 0.11 0.02 0.00 0.00 177.57 178.70 2b4j h LYS 127 N 0.39 0.99 -0.36 1.57 1.57 -1.14 0.05 116.57 119.66 2b4j h LYS 127 Ca 0.09 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2b4j h LYS 127 Cb 0.47 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2b4j h LYS 127 CO 0.02 0.66 -0.08 0.00 -0.57 0.00 0.00 179.45 179.47 2b4j h ALA 128 N 1.48 0.49 -0.47 3.86 0.00 -1.05 0.18 119.26 123.75 2b4j h ALA 128 Ca 0.45 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2b4j h ALA 128 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2b4j h ALA 128 CO -0.22 0.34 0.30 0.00 0.00 0.00 0.00 179.25 179.66 2b4j h ALA 129 N 0.82 0.59 -0.49 0.00 0.00 -1.08 0.72 119.26 119.83 2b4j h ALA 129 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2b4j h ALA 129 Cb 0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2b4j h ALA 129 CO 0.03 0.06 0.28 0.00 0.00 0.00 0.00 179.25 179.63 2b4j h TRP 131 N 0.65 0.19 -0.59 0.00 7.01 -0.48 0.27 115.95 123.00 2b4j h TRP 131 Ca 0.17 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.15 2b4j h TRP 131 Cb 0.02 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 2b4j h TRP 131 CO -0.02 0.05 0.19 2.35 -2.79 0.00 0.00 178.44 178.21 2b4j h TRP 132 N 0.25 0.94 -0.20 2.65 7.01 -0.30 -2.68 115.95 123.62 2b4j h TRP 132 Ca 0.20 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.10 2b4j h TRP 132 Cb 0.21 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.00 2b4j h TRP 132 CO -0.18 0.79 0.00 0.00 -2.79 0.00 0.00 178.44 176.26 2b4j n ALA 133 N -2.39 2.50 -3.02 2.65 0.00 -0.02 -4.93 120.51 115.30 2b4j n ALA 133 Ca 0.03 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 2b4j n ALA 133 Cb 0.21 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.66 2b4j n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b4j n GLY 134 N 1.21 0.13 3.57 0.00 0.00 -0.26 -5.02 105.19 104.83 2b4j n GLY 134 Ca 0.17 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2b4j n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b4j s ILE 135 N -3.12 4.18 0.02 -0.61 1.01 0.79 -4.82 121.20 118.65 2b4j s ILE 135 Ca 0.29 -0.26 -0.21 0.00 0.00 0.00 0.00 60.65 60.47 2b4j s ILE 135 Cb -0.13 -2.82 -0.06 0.00 0.01 0.00 0.00 42.46 39.46 2b4j s ILE 135 CO 0.36 0.51 0.61 -0.75 0.00 0.00 0.00 174.94 175.67 2b4j s LYS 136 N 0.05 4.31 -0.09 2.79 2.20 0.62 -4.35 119.74 125.28 2b4j s LYS 136 Ca 0.02 0.78 -0.01 0.00 -0.36 0.00 0.00 55.97 56.39 2b4j s LYS 136 Cb -0.13 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 2b4j s LYS 136 CO 0.02 0.43 -0.01 -0.65 -0.36 0.00 0.00 175.35 174.78 2b4j s GLN 137 N -0.44 2.98 -0.07 4.03 -0.21 -1.26 -0.45 119.66 124.24 2b4j s GLN 137 Ca 0.31 -0.44 0.02 0.00 0.02 0.00 0.00 55.36 55.28 2b4j s GLN 137 Cb -0.19 -2.77 0.01 0.00 1.00 0.00 0.00 33.01 31.07 2b4j s GLN 137 CO 0.18 0.67 -0.14 -1.21 -2.12 0.00 0.00 175.29 172.68 2b4j s GLU 138 N -0.81 1.89 -0.74 2.91 2.02 -0.40 -4.95 118.70 118.63 2b4j s GLU 138 Ca 0.12 -0.48 -0.05 0.00 0.02 0.00 0.00 54.97 54.59 2b4j s GLU 138 Cb -0.11 -1.55 0.19 0.00 0.10 0.00 0.00 34.13 32.76 2b4j s GLU 138 CO 0.02 0.04 0.60 -0.06 0.02 0.00 0.00 175.26 175.88 2b4j s PHE 139 N 0.66 3.60 0.00 1.61 0.40 -1.26 -1.60 117.98 121.39 2b4j s PHE 139 Ca -0.14 -2.65 0.00 0.00 -0.60 0.00 0.00 56.93 53.54 2b4j s PHE 139 Cb -0.16 -3.35 0.00 0.00 0.51 0.00 0.00 43.02 40.02 2b4j s PHE 139 CO 0.04 -0.85 0.00 1.33 0.70 0.00 0.00 175.22 176.44 2b4j n VAL 150 N 3.29 0.00 -0.04 -0.44 0.24 -1.26 -4.54 118.33 115.58 2b4j n VAL 150 Ca 0.13 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.35 2b4j n VAL 150 Cb 0.39 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.87 2b4j n VAL 150 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 2b4j h ILE 151 N 0.00 1.28 -0.62 1.34 2.10 -1.97 -1.17 117.51 118.48 2b4j h ILE 151 Ca 0.00 -1.43 -0.02 0.00 1.08 0.00 0.00 64.86 64.48 2b4j h ILE 151 Cb 0.00 1.38 -0.03 0.00 -1.09 0.00 0.00 36.82 37.08 2b4j h ILE 151 CO 0.00 0.46 0.29 -0.33 -1.08 0.00 0.00 178.15 177.49 2b4j h GLU 152 N 0.56 0.88 -0.57 2.19 5.08 -2.00 0.80 114.58 121.51 2b4j h GLU 152 Ca 0.07 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2b4j h GLU 152 Cb 0.81 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2b4j h GLU 152 CO 0.07 0.68 0.02 1.03 -1.00 0.00 0.00 179.01 179.81 2b4j h SER 153 N 0.87 0.97 -0.54 1.42 0.87 -1.97 -3.10 113.55 112.07 2b4j h SER 153 Ca 0.21 -0.30 -0.09 0.00 -1.23 0.00 0.00 61.79 60.39 2b4j h SER 153 Cb 0.10 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 2b4j h SER 153 CO -0.03 1.03 -0.00 0.24 -0.53 0.00 0.00 176.83 177.54 2b4j h MET 154 N 0.88 0.95 -0.65 2.24 2.86 -0.37 -2.28 114.93 118.55 2b4j h MET 154 Ca 0.16 -0.30 0.14 0.00 -2.06 0.00 0.00 59.70 57.64 2b4j h MET 154 Cb 0.52 -0.09 -0.11 0.00 0.06 0.00 0.00 31.60 31.98 2b4j h MET 154 CO 0.03 0.96 -0.01 -0.91 1.06 0.00 0.00 176.91 178.04 2b4j h ASN 155 N 0.82 -0.31 -0.21 1.22 2.35 0.59 -0.44 115.58 119.60 2b4j h ASN 155 Ca 0.15 0.17 -0.14 0.00 -0.55 0.00 0.00 56.30 55.93 2b4j h ASN 155 Cb 0.53 0.30 0.00 0.00 0.05 0.00 0.00 38.32 39.20 2b4j h ASN 155 CO 0.03 -0.14 -0.42 0.50 -1.65 0.00 0.00 177.43 175.76 2b4j h LYS 156 N 0.11 0.64 -0.63 0.81 3.11 -1.46 -1.95 116.57 117.20 2b4j h LYS 156 Ca 0.34 -0.42 -0.05 0.00 -2.81 0.00 0.00 60.65 57.71 2b4j h LYS 156 Cb 0.56 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.82 2b4j h LYS 156 CO -0.57 1.04 0.19 1.49 -2.81 0.00 0.00 179.45 178.79 2b4j h GLU 157 N 0.33 0.95 0.43 1.90 4.57 -1.17 -1.85 114.58 119.75 2b4j h GLU 157 Ca 0.01 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 2b4j h GLU 157 Cb 1.02 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 2b4j h GLU 157 CO 0.09 0.82 -0.21 1.25 -1.18 0.00 0.00 179.01 179.79 2b4j h LEU 158 N 0.92 -0.49 -1.80 1.64 5.85 -0.99 -0.99 115.31 119.46 2b4j h LEU 158 Ca 0.21 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.00 2b4j h LEU 158 Cb 0.27 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2b4j h LEU 158 CO -0.01 -0.34 0.27 0.11 -0.34 0.00 0.00 178.44 178.13 2b4j h LYS 159 N -0.60 0.24 0.25 1.25 1.57 -1.26 0.48 116.57 118.50 2b4j h LYS 159 Ca -0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2b4j h LYS 159 Cb 0.45 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2b4j h LYS 159 CO 0.10 0.16 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.80 2b4j h LYS 160 N 0.25 -0.32 -0.72 3.15 3.64 -0.91 -2.31 116.57 119.36 2b4j h LYS 160 Ca 0.18 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2b4j h LYS 160 Cb 0.38 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 2b4j h LYS 160 CO -0.03 -0.05 0.42 0.82 -2.27 0.00 0.00 179.45 178.34 2b4j h ILE 161 N -0.57 1.21 -0.69 2.00 2.04 -0.67 -2.05 117.51 118.78 2b4j h ILE 161 Ca -0.03 -0.47 0.12 0.00 1.00 0.00 0.00 64.86 65.47 2b4j h ILE 161 Cb 0.41 0.22 -0.08 0.00 -0.74 0.00 0.00 36.82 36.63 2b4j h ILE 161 CO 0.06 0.22 0.27 0.40 0.00 0.00 0.00 178.15 179.10 2b4j h ILE 162 N 0.98 0.72 -0.46 -0.67 2.04 -0.86 -1.90 117.51 117.37 2b4j h ILE 162 Ca 0.26 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 2b4j h ILE 162 Cb -0.02 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 2b4j h ILE 162 CO -0.05 0.08 0.01 1.23 0.00 0.00 0.00 178.15 179.42 2b4j h GLY 163 N 0.44 0.80 2.00 5.37 0.00 -0.87 0.15 103.07 110.96 2b4j h GLY 163 Ca 0.36 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 2b4j h GLY 163 CO -0.35 0.48 -0.22 1.46 0.00 0.00 0.00 176.54 177.91 2b4j h GLN 164 N 0.70 0.00 -0.10 4.80 4.20 -0.68 -3.23 115.11 120.80 2b4j h GLN 164 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2b4j h GLN 164 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2b4j h GLN 164 CO 0.02 0.22 0.00 1.33 -0.67 0.00 0.00 178.83 179.73 2b4j n VAL 165 N -3.44 0.32 -0.07 -0.54 0.24 -0.87 -4.76 118.33 109.20 2b4j n VAL 165 Ca -0.00 -0.66 0.05 0.00 -2.04 0.00 0.00 64.34 61.68 2b4j n VAL 165 Cb 0.40 0.97 0.39 0.00 -1.47 0.00 0.00 33.84 34.14 2b4j n VAL 165 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2b4j h ARG 166 N 1.78 0.63 0.00 7.34 9.65 -0.73 0.16 114.38 133.21 2b4j h ARG 166 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2b4j h ARG 166 Cb 0.49 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2b4j h ARG 166 CO 0.00 0.42 0.00 -0.40 2.80 0.00 0.00 179.97 182.79 2b4j n ASP 167 N -4.47 0.00 -0.56 -3.80 5.75 -1.26 -2.79 116.55 109.43 2b4j n ASP 167 Ca 0.06 -0.82 0.13 0.00 -0.01 0.00 0.00 54.79 54.15 2b4j n ASP 167 Cb 0.12 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.55 2b4j n ASP 167 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2b4j n GLN 168 N -0.99 1.63 -3.85 0.11 6.02 0.04 -4.91 117.38 115.43 2b4j n GLN 168 Ca 0.19 -1.12 -0.12 0.00 -0.01 0.00 0.00 57.00 55.94 2b4j n GLN 168 Cb 0.09 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 29.75 2b4j n GLN 168 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b4j s ALA 169 N -2.14 -0.29 0.02 -1.58 0.00 -1.12 -5.04 121.76 111.62 2b4j s ALA 169 Ca 0.31 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.13 2b4j s ALA 169 Cb 0.20 -0.07 -0.17 0.00 0.00 0.00 0.00 23.12 23.08 2b4j s ALA 169 CO 0.38 -0.12 1.31 1.49 0.00 0.00 0.00 175.76 178.83 2b4j h GLU 170 N 5.26 -0.36 -5.55 0.00 4.57 -1.91 -3.46 114.58 113.14 2b4j h GLU 170 Ca -0.28 0.02 -0.65 0.00 -1.18 0.00 0.00 59.36 57.28 2b4j h GLU 170 Cb 1.20 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.78 2b4j h GLU 170 CO 0.42 -0.06 -0.50 -1.01 -1.18 0.00 0.00 179.01 176.68 2b4j s HIS 171 N -4.87 3.50 0.30 0.92 3.76 -1.26 -4.98 115.29 112.66 2b4j s HIS 171 Ca -0.14 0.43 0.06 0.00 -0.15 0.00 0.00 55.06 55.25 2b4j s HIS 171 Cb 0.03 -1.99 0.79 0.00 1.11 0.00 0.00 32.58 32.51 2b4j s HIS 171 CO 0.57 0.57 1.71 1.25 -0.85 0.00 0.00 174.74 177.99 2b4j h LEU 172 N 5.53 0.47 -1.22 0.89 5.85 -1.96 -2.24 115.31 122.63 2b4j h LEU 172 Ca -0.50 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.41 2b4j h LEU 172 Cb 1.20 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 2b4j h LEU 172 CO 0.63 0.04 0.55 0.07 -0.34 0.00 0.00 178.44 179.39 2b4j h LYS 173 N 0.47 0.95 -0.33 1.25 2.10 -1.97 -0.10 116.57 118.94 2b4j h LYS 173 Ca 0.59 -0.06 -0.05 0.00 -2.00 0.00 0.00 60.65 59.13 2b4j h LYS 173 Cb 1.12 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 32.23 2b4j h LYS 173 CO -0.50 0.63 0.00 1.15 -2.00 0.00 0.00 179.45 178.73 2b4j h THR 174 N 0.98 1.26 -0.91 0.07 2.02 -1.82 -3.08 112.91 111.43 2b4j h THR 174 Ca 0.34 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.58 2b4j h THR 174 Cb 0.11 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 2b4j h THR 174 CO -0.11 0.32 0.60 0.00 0.37 0.00 0.00 175.52 176.70 2b4j h ALA 175 N 0.85 1.37 -0.29 6.16 0.00 -1.07 -1.29 119.26 124.98 2b4j h ALA 175 Ca 0.09 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2b4j h ALA 175 Cb 0.45 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2b4j h ALA 175 CO 0.02 0.58 -0.00 0.28 0.00 0.00 0.00 179.25 180.12 2b4j h VAL 176 N 1.22 0.78 -0.36 0.00 2.07 -1.07 -0.24 116.25 118.65 2b4j h VAL 176 Ca 0.34 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.71 2b4j h VAL 176 Cb -0.11 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2b4j h VAL 176 CO -0.08 0.02 -0.25 1.56 0.02 0.00 0.00 177.57 178.83 2b4j h GLN 177 N 0.09 0.74 -1.01 1.57 1.08 -1.37 -1.00 115.11 115.21 2b4j h GLN 177 Ca 0.14 -0.31 0.06 0.00 -1.45 0.00 0.00 58.65 57.09 2b4j h GLN 177 Cb 0.19 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.52 2b4j h GLN 177 CO -0.24 0.92 0.65 0.52 -0.95 0.00 0.00 178.83 179.73 2b4j h MET 178 N 0.64 1.16 -0.14 1.46 2.86 -1.04 -2.06 114.93 117.81 2b4j h MET 178 Ca 0.08 -0.07 -0.21 0.00 -2.06 0.00 0.00 59.70 57.44 2b4j h MET 178 Cb 0.76 -0.26 0.01 0.00 0.06 0.00 0.00 31.60 32.17 2b4j h MET 178 CO 0.06 0.77 -0.75 0.00 1.06 0.00 0.00 176.91 178.04 2b4j h ALA 179 N 1.45 0.40 -0.55 6.32 0.00 -0.30 -1.87 119.26 124.71 2b4j h ALA 179 Ca 0.43 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2b4j h ALA 179 Cb 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2b4j h ALA 179 CO -0.17 0.71 0.28 0.28 0.00 0.00 0.00 179.25 180.34 2b4j h VAL 180 N 0.47 0.94 0.15 0.00 2.07 -1.08 -0.27 116.25 118.53 2b4j h VAL 180 Ca -0.04 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2b4j h VAL 180 Cb 1.36 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2b4j h VAL 180 CO 0.15 0.10 -0.07 0.15 0.02 0.00 0.00 177.57 177.91 2b4j h PHE 181 N 0.53 -0.19 -0.30 1.57 3.04 -1.27 0.02 116.94 120.33 2b4j h PHE 181 Ca 0.25 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.20 2b4j h PHE 181 Cb 0.17 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 2b4j h PHE 181 CO -0.10 -0.10 0.20 0.82 -2.02 0.00 0.00 178.31 177.11 2b4j h ILE 182 N -0.23 1.07 0.14 1.41 2.04 -1.20 -1.02 117.51 119.73 2b4j h ILE 182 Ca -0.02 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.72 2b4j h ILE 182 Cb 0.18 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2b4j h ILE 182 CO 0.03 0.07 -0.38 -0.74 0.00 0.00 0.00 178.15 177.14 2b4j h HIS 183 N 0.41 -1.04 0.00 1.37 2.76 -0.78 -1.80 115.15 116.06 2b4j h HIS 183 Ca 0.11 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 2b4j h HIS 183 Cb -0.04 0.44 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2b4j h HIS 183 CO -0.06 -0.48 -0.29 -0.91 -1.30 0.00 0.00 177.93 174.89 2b4j h ASN 184 N -0.62 0.00 0.93 3.26 2.35 -0.77 -3.12 115.58 117.61 2b4j h ASN 184 Ca 0.02 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 2b4j h ASN 184 Cb 0.64 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2b4j h ASN 184 CO -0.21 0.29 -1.13 0.11 -1.65 0.00 0.00 177.43 174.85 2b4j h LYS 185 N 0.00 0.00 0.00 0.81 1.79 -1.12 -0.09 116.57 117.96 2b4j h LYS 185 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2b4j h LYS 185 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2b4j h LYS 185 CO 0.04 0.20 0.00 1.17 -1.08 0.00 0.00 179.45 179.78 2b4j n LYS 186 N -2.86 0.00 -3.64 3.15 4.81 -0.68 -4.87 118.16 114.07 2b4j n LYS 186 Ca -0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.24 2b4j n LYS 186 Cb 0.72 -1.39 -0.07 0.00 0.02 0.00 0.00 35.03 34.31 2b4j n LYS 186 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2b4j s SER 195 N -1.81 -0.47 0.30 3.14 1.04 -1.26 -4.95 113.70 109.69 2b4j s SER 195 Ca 0.00 0.53 -0.00 0.00 0.48 0.00 0.00 55.95 56.96 2b4j s SER 195 Cb 0.00 0.53 0.50 0.00 0.10 0.00 0.00 66.02 67.16 2b4j s SER 195 CO 0.00 -0.49 1.92 0.00 0.98 0.00 0.00 173.24 175.65 2b4j h ALA 196 N 3.65 1.48 -0.52 5.32 0.00 -1.80 0.24 119.26 127.63 2b4j h ALA 196 Ca -0.28 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.65 2b4j h ALA 196 Cb 1.16 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2b4j h ALA 196 CO 0.36 0.40 0.24 0.78 0.00 0.00 0.00 179.25 181.03 2b4j h GLY 197 N 1.06 0.72 1.41 0.00 0.00 -1.33 -1.48 103.07 103.45 2b4j h GLY 197 Ca 0.38 -0.16 -0.23 0.00 0.00 0.00 0.00 47.33 47.31 2b4j h GLY 197 CO -0.13 0.09 -0.93 0.83 0.00 0.00 0.00 176.54 176.39 2b4j h GLU 198 N 0.47 0.54 -0.41 4.80 5.08 -1.60 -3.21 114.58 120.25 2b4j h GLU 198 Ca 0.23 -0.55 0.03 0.00 -1.00 0.00 0.00 59.36 58.07 2b4j h GLU 198 Cb 0.17 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2b4j h GLU 198 CO -0.18 1.17 0.21 0.00 -1.00 0.00 0.00 179.01 179.22 2b4j h ARG 199 N 0.32 0.42 -0.37 2.33 3.08 -0.29 -0.66 114.38 119.21 2b4j h ARG 199 Ca -0.09 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2b4j h ARG 199 Cb 1.57 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.51 2b4j h ARG 199 CO 0.17 0.28 0.18 0.97 -1.07 0.00 0.00 179.97 180.50 2b4j h ILE 200 N 0.43 1.16 -0.59 2.04 2.10 -1.36 -0.57 117.51 120.73 2b4j h ILE 200 Ca 0.17 -0.46 -0.01 0.00 1.08 0.00 0.00 64.86 65.64 2b4j h ILE 200 Cb 0.06 0.79 -0.03 0.00 -1.09 0.00 0.00 36.82 36.55 2b4j h ILE 200 CO -0.11 0.17 0.34 0.58 -1.08 0.00 0.00 178.15 178.06 2b4j h VAL 201 N 0.46 1.18 -0.40 2.19 2.07 -1.51 -1.23 116.25 119.01 2b4j h VAL 201 Ca 0.13 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2b4j h VAL 201 Cb 0.11 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2b4j h VAL 201 CO -0.02 0.19 -0.02 -0.78 0.02 0.00 0.00 177.57 176.96 2b4j h ASP 202 N 0.79 0.71 -0.35 0.57 3.58 -0.93 0.21 116.42 120.99 2b4j h ASP 202 Ca 0.21 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 2b4j h ASP 202 Cb 0.00 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 2b4j h ASP 202 CO -0.04 0.86 0.15 0.40 -2.88 0.00 0.00 179.24 177.74 2b4j h ILE 203 N 0.54 1.17 -0.28 2.25 2.04 -0.89 -1.27 117.51 121.08 2b4j h ILE 203 Ca 0.11 -0.52 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 2b4j h ILE 203 Cb 0.51 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2b4j h ILE 203 CO 0.02 0.19 -0.10 0.40 0.00 0.00 0.00 178.15 178.66 2b4j h ILE 204 N 0.42 1.29 -0.25 -0.67 1.08 -1.18 -2.12 117.51 116.08 2b4j h ILE 204 Ca 0.12 -1.16 0.05 0.00 -0.39 0.00 0.00 64.86 63.48 2b4j h ILE 204 Cb 0.15 1.45 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 2b4j h ILE 204 CO -0.01 0.37 -0.06 0.00 -0.69 0.00 0.00 178.15 177.76 2b4j h ALA 205 N 0.76 0.17 0.00 1.87 0.00 -0.85 0.27 119.26 121.48 2b4j h ALA 205 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2b4j h ALA 205 Cb 0.60 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2b4j h ALA 205 CO 0.03 -0.47 0.00 1.79 0.00 0.00 0.00 179.25 180.61 2b4j h THR 206 N 0.01 0.00 0.14 0.00 1.35 -1.27 -2.86 112.91 110.28 2b4j h THR 206 Ca 0.12 -0.45 -0.29 0.00 -0.55 0.00 0.00 66.41 65.24 2b4j h THR 206 Cb 0.18 1.36 0.02 0.00 -1.73 0.00 0.00 68.15 67.97 2b4j h THR 206 CO -0.25 0.00 -1.25 -0.78 -0.25 0.00 0.00 175.52 172.99 2b4j h ASP 207 N 0.00 0.61 0.00 5.36 3.58 -0.84 -3.51 116.42 121.62 2b4j h ASP 207 Ca 0.00 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 56.84 2b4j h ASP 207 Cb 0.61 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2b4j h ASP 207 CO 0.00 1.46 0.00 -0.38 -2.88 0.00 0.00 179.24 177.44