#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsj n LEU 55 N 0.00 4.67 -4.87 0.99 4.77 -1.26 -4.94 117.00 116.36 1vsj n LEU 55 Ca 0.00 -2.41 -0.30 0.00 -0.03 0.00 0.00 56.01 53.27 1vsj n LEU 55 Cb 0.00 -0.69 0.08 0.00 -2.33 0.00 0.00 43.42 40.48 1vsj n LEU 55 CO 0.00 0.77 0.76 -0.83 -1.33 0.00 0.00 177.39 176.76 1vsj s GLY 56 N 0.17 1.61 0.61 -0.72 0.00 -1.26 -5.00 107.32 102.73 1vsj s GLY 56 Ca 0.22 -0.47 -0.19 0.00 0.00 0.00 0.00 44.72 44.29 1vsj s GLY 56 CO 0.04 -0.03 1.17 -1.55 0.00 0.00 0.00 173.10 172.73 1vsj n PRO 57 N -3.24 1.12 -2.58 2.90 -0.04 -1.26 -4.96 135.00 126.93 1vsj n PRO 57 Ca 0.07 0.43 -0.36 0.00 -0.04 0.00 0.00 63.50 63.60 1vsj n PRO 57 Cb 0.59 -2.38 -0.04 0.00 -0.04 0.00 0.00 33.50 31.62 1vsj n PRO 57 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vsj s LEU 58 N -3.20 4.16 -1.33 1.53 1.43 -1.26 -4.96 118.68 115.05 1vsj s LEU 58 Ca 0.78 2.00 -0.15 0.00 -1.03 0.00 0.00 54.13 55.73 1vsj s LEU 58 Cb -0.40 -4.17 0.09 0.00 0.03 0.00 0.00 46.19 41.73 1vsj s LEU 58 CO 0.45 -0.43 1.85 0.00 0.23 0.00 0.00 176.35 178.44 1vsj n GLN 59 N -0.00 3.16 -5.02 1.70 3.00 -1.26 -4.14 117.38 114.83 1vsj n GLN 59 Ca 0.05 -3.19 -0.29 0.00 -0.01 0.00 0.00 57.00 53.55 1vsj n GLN 59 Cb 0.50 -3.32 -0.17 0.00 0.00 0.00 0.00 30.24 27.25 1vsj n GLN 59 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1vsj s ILE 60 N 3.20 1.75 0.19 5.09 1.01 -1.26 -0.27 121.20 130.92 1vsj s ILE 60 Ca 0.49 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1vsj s ILE 60 Cb 0.06 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1vsj s ILE 60 CO 0.01 0.49 0.02 0.26 0.00 0.00 0.00 174.94 175.73 1vsj s TRP 61 N 0.38 2.86 -0.14 3.97 0.51 -0.88 -0.97 118.94 124.68 1vsj s TRP 61 Ca -0.16 -0.14 0.02 0.00 -2.12 0.00 0.00 56.10 53.70 1vsj s TRP 61 Cb -0.17 -1.36 0.01 0.00 -0.81 0.00 0.00 33.47 31.15 1vsj s TRP 61 CO 0.07 0.53 -0.19 -0.65 -0.51 0.00 0.00 176.95 176.20 1vsj s GLN 62 N -3.14 2.69 0.10 4.98 -0.21 -0.46 -0.35 119.66 123.26 1vsj s GLN 62 Ca 0.29 -0.73 0.10 0.00 0.02 0.00 0.00 55.36 55.04 1vsj s GLN 62 Cb -0.09 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 1vsj s GLN 62 CO 0.20 -0.08 -0.26 0.99 -2.12 0.00 0.00 175.29 174.02 1vsj s THR 63 N 1.01 2.28 0.27 -0.19 2.01 -0.60 -1.56 115.64 118.86 1vsj s THR 63 Ca -0.04 -1.60 -0.18 0.00 0.31 0.00 0.00 61.69 60.17 1vsj s THR 63 Cb -0.15 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.40 1vsj s THR 63 CO -0.04 0.19 0.64 -0.62 -0.69 0.00 0.00 174.62 174.10 1vsj s ASP 64 N -1.78 -0.21 0.13 3.53 2.15 -0.60 -4.50 116.67 115.39 1vsj s ASP 64 Ca 0.14 -0.70 0.09 0.00 0.43 0.00 0.00 52.55 52.51 1vsj s ASP 64 Cb -0.10 0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 43.16 1vsj s ASP 64 CO 0.05 -1.28 -0.19 -0.36 -0.17 0.00 0.00 175.17 173.22 1vsj s PHE 65 N -3.95 2.49 -0.07 -5.34 0.40 -1.26 -0.65 117.98 109.61 1vsj s PHE 65 Ca 0.14 -0.28 -0.07 0.00 -0.60 0.00 0.00 56.93 56.12 1vsj s PHE 65 Cb -0.04 -1.32 0.02 0.00 0.51 0.00 0.00 43.02 42.19 1vsj s PHE 65 CO 0.07 0.39 0.19 -0.08 0.70 0.00 0.00 175.22 176.49 1vsj s THR 66 N -1.18 0.00 0.13 0.64 -1.32 -0.11 -4.98 115.64 108.83 1vsj s THR 66 Ca 0.18 -0.02 -0.17 0.00 -1.21 0.00 0.00 61.69 60.46 1vsj s THR 66 Cb -0.10 -0.28 -0.07 0.00 -1.51 0.00 0.00 72.50 70.54 1vsj s THR 66 CO 0.10 -0.01 0.60 -0.22 -2.21 0.00 0.00 174.62 172.87 1vsj s LEU 67 N 0.06 4.42 -0.30 9.08 2.96 -1.26 -1.16 118.68 132.47 1vsj s LEU 67 Ca -0.00 1.23 -0.01 0.00 -0.22 0.00 0.00 54.13 55.12 1vsj s LEU 67 Cb -0.01 -3.19 0.13 0.00 0.50 0.00 0.00 46.19 43.61 1vsj s LEU 67 CO 0.00 0.16 0.24 -0.70 -1.32 0.00 0.00 176.35 174.73 1vsj s GLU 68 N -1.62 0.32 0.36 1.98 2.56 0.15 -4.94 118.70 117.52 1vsj s GLU 68 Ca 0.35 -0.43 0.25 0.00 0.00 0.00 0.00 54.97 55.14 1vsj s GLU 68 Cb -0.17 -0.88 1.33 0.00 2.00 0.00 0.00 34.13 36.41 1vsj s GLU 68 CO 0.20 -1.06 1.75 -1.35 -0.56 0.00 0.00 175.26 174.25 1vsj h PRO 69 N 8.11 0.00 0.00 4.30 0.11 -1.97 -1.88 132.00 140.68 1vsj h PRO 69 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1vsj h PRO 69 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1vsj h PRO 69 CO 0.35 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.14 1vsj h ARG 70 N 0.00 0.00 -0.68 1.05 3.08 -1.93 -3.11 114.38 112.78 1vsj h ARG 70 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vsj h ARG 70 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1vsj h ARG 70 CO 0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57 1vsj n MET 71 N -2.58 2.93 -1.97 0.04 2.81 -0.70 -0.37 117.12 117.27 1vsj n MET 71 Ca 0.03 -2.65 -0.37 0.00 -1.81 0.00 0.00 57.70 52.90 1vsj n MET 71 Cb 0.34 -1.60 0.03 0.00 -0.71 0.00 0.00 33.22 31.28 1vsj n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vsj s ALA 72 N -1.17 2.69 -0.90 3.04 0.00 -1.18 -2.03 121.76 122.21 1vsj s ALA 72 Ca 0.47 1.10 0.18 0.00 0.00 0.00 0.00 51.96 53.71 1vsj s ALA 72 Cb 0.26 -3.48 0.76 0.00 0.00 0.00 0.00 23.12 20.66 1vsj s ALA 72 CO 0.30 -1.16 1.57 -0.35 0.00 0.00 0.00 175.76 176.12 1vsj n PRO 73 N -1.24 0.04 -2.87 0.00 -0.04 -1.26 -4.80 135.00 124.82 1vsj n PRO 73 Ca 0.12 0.25 -0.40 0.00 -0.04 0.00 0.00 63.50 63.42 1vsj n PRO 73 Cb 0.48 -1.57 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 1vsj n PRO 73 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1vsj n ARG 74 N -1.65 4.71 0.08 0.54 1.74 -0.86 -4.58 116.66 116.65 1vsj n ARG 74 Ca 0.04 -4.63 0.13 0.00 -0.77 0.00 0.00 57.85 52.62 1vsj n ARG 74 Cb 0.21 -2.46 0.45 0.00 -1.02 0.00 0.00 32.46 29.64 1vsj n ARG 74 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1vsj n SER 75 N 0.60 0.64 -4.64 0.55 3.41 -1.18 -3.96 113.62 109.04 1vsj n SER 75 Ca 0.36 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 59.11 1vsj n SER 75 Cb 0.31 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 63.49 1vsj n SER 75 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1vsj s TRP 76 N -3.08 3.27 -0.20 7.33 0.52 -0.79 0.32 118.94 126.31 1vsj s TRP 76 Ca 0.11 1.08 -0.06 0.00 0.02 0.00 0.00 56.10 57.25 1vsj s TRP 76 Cb 0.14 -3.15 -0.03 0.00 -1.15 0.00 0.00 33.47 29.27 1vsj s TRP 76 CO 0.58 -0.47 0.03 -0.51 0.02 0.00 0.00 176.95 176.60 1vsj s LEU 77 N 2.95 3.47 -0.30 2.99 1.43 -0.31 0.36 118.68 129.26 1vsj s LEU 77 Ca 0.36 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 1vsj s LEU 77 Cb -0.15 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1vsj s LEU 77 CO 0.09 0.08 0.46 0.00 0.23 0.00 0.00 176.35 177.21 1vsj s ALA 78 N 0.90 3.53 -0.08 4.21 0.00 -0.65 -0.93 121.76 128.74 1vsj s ALA 78 Ca 0.02 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1vsj s ALA 78 Cb -0.14 -2.87 -0.00 0.00 0.00 0.00 0.00 23.12 20.10 1vsj s ALA 78 CO 0.02 -0.91 -0.23 0.08 0.00 0.00 0.00 175.76 174.72 1vsj s VAL 79 N 2.24 1.96 -0.07 0.00 1.01 0.18 -2.28 120.40 123.44 1vsj s VAL 79 Ca 0.17 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1vsj s VAL 79 Cb -0.16 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1vsj s VAL 79 CO 0.11 0.54 -0.19 -0.89 0.00 0.00 0.00 175.10 174.68 1vsj s THR 80 N 0.12 1.60 -0.17 3.92 2.01 -0.12 -1.55 115.64 121.44 1vsj s THR 80 Ca -0.11 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.09 1vsj s THR 80 Cb -0.16 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 1vsj s THR 80 CO 0.06 0.46 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.66 1vsj s VAL 81 N 0.28 3.18 -0.44 3.82 1.01 -0.60 -0.96 120.40 126.69 1vsj s VAL 81 Ca -0.11 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 1vsj s VAL 81 Cb -0.15 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1vsj s VAL 81 CO 0.05 0.48 0.98 -0.62 0.00 0.00 0.00 175.10 175.99 1vsj s ASP 82 N 0.88 6.59 0.11 3.32 -1.08 0.03 -1.35 116.67 125.18 1vsj s ASP 82 Ca -0.02 0.36 0.18 0.00 -0.52 0.00 0.00 52.55 52.55 1vsj s ASP 82 Cb -0.15 -2.48 0.77 0.00 -1.46 0.00 0.00 42.92 39.59 1vsj s ASP 82 CO 0.00 -1.05 1.56 0.35 0.52 0.00 0.00 175.17 176.56 1vsj n THR 83 N 6.39 0.95 0.04 1.71 -2.24 -0.14 0.30 114.28 121.29 1vsj n THR 83 Ca 0.08 0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.96 1vsj n THR 83 Cb 0.48 -1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 67.58 1vsj n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vsj h ALA 84 N 2.39 0.34 0.00 6.98 0.00 -1.74 -3.38 119.26 123.85 1vsj h ALA 84 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1vsj h ALA 84 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1vsj h ALA 84 CO 0.00 0.75 0.00 -1.13 0.00 0.00 0.00 179.25 178.87 1vsj n SER 85 N -3.82 0.22 0.00 0.00 3.41 -1.08 -4.93 113.62 107.43 1vsj n SER 85 Ca -0.07 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1vsj n SER 85 Cb 0.81 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 1vsj n SER 85 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1vsj n SER 86 N -0.76 -3.17 -4.74 4.04 7.64 0.15 -4.97 113.62 111.81 1vsj n SER 86 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1vsj n SER 86 Cb 0.00 -2.14 0.06 0.00 -1.01 0.00 0.00 64.21 61.12 1vsj n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vsj s ALA 87 N -1.61 2.57 0.00 -0.43 0.00 -1.24 -4.67 121.76 116.38 1vsj s ALA 87 Ca 0.00 1.27 0.08 0.00 0.00 0.00 0.00 51.96 53.31 1vsj s ALA 87 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 1vsj s ALA 87 CO 0.00 -1.50 -0.24 0.42 0.00 0.00 0.00 175.76 174.43 1vsj s ILE 88 N -1.35 1.93 -0.06 0.00 1.01 -1.26 -0.79 121.20 120.68 1vsj s ILE 88 Ca 0.78 -1.14 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1vsj s ILE 88 Cb -0.39 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1vsj s ILE 88 CO 0.43 0.46 -0.08 -0.69 0.00 0.00 0.00 174.94 175.06 1vsj s VAL 89 N -0.65 0.80 -0.01 2.92 1.01 -0.14 -4.94 120.40 119.39 1vsj s VAL 89 Ca 0.10 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1vsj s VAL 89 Cb -0.09 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1vsj s VAL 89 CO 0.00 0.29 -0.12 -0.69 0.00 0.00 0.00 175.10 174.58 1vsj s VAL 90 N 0.90 0.95 0.08 2.92 1.01 -1.26 -0.94 120.40 124.05 1vsj s VAL 90 Ca -0.11 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1vsj s VAL 90 Cb -0.15 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1vsj s VAL 90 CO 0.01 0.27 -0.05 0.42 0.00 0.00 0.00 175.10 175.74 1vsj s THR 91 N -0.23 0.53 0.07 3.92 -4.23 -0.97 -5.01 115.64 109.72 1vsj s THR 91 Ca 0.04 -1.87 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1vsj s THR 91 Cb -0.05 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 1vsj s THR 91 CO -0.00 -0.90 -0.02 -1.10 -0.54 0.00 0.00 174.62 172.06 1vsj s GLN 92 N -3.79 2.54 0.03 3.99 -0.21 -1.26 -1.64 119.66 119.31 1vsj s GLN 92 Ca 0.10 -0.80 -0.10 0.00 0.02 0.00 0.00 55.36 54.57 1vsj s GLN 92 Cb 0.06 -2.53 0.01 0.00 1.00 0.00 0.00 33.01 31.54 1vsj s GLN 92 CO -0.06 0.56 0.21 -1.01 -2.12 0.00 0.00 175.29 172.87 1vsj s HIS 93 N -1.22 0.00 0.03 0.91 3.76 0.16 -4.99 115.29 113.93 1vsj s HIS 93 Ca 0.23 -0.14 0.10 0.00 -0.15 0.00 0.00 55.06 55.10 1vsj s HIS 93 Cb -0.12 -0.00 -0.18 0.00 1.11 0.00 0.00 32.58 33.39 1vsj s HIS 93 CO 0.15 -0.41 1.08 0.78 -0.85 0.00 0.00 174.74 175.50 1vsj h GLY 94 N 3.64 0.00 -5.03 -2.22 0.00 -1.85 -2.07 103.07 95.54 1vsj h GLY 94 Ca -0.31 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 1vsj h GLY 94 CO 0.45 0.00 -0.63 -1.60 0.00 0.00 0.00 176.54 174.77 1vsj s ARG 95 N -2.72 0.31 -0.41 4.80 3.00 -1.26 -4.77 118.95 117.90 1vsj s ARG 95 Ca -0.01 -0.40 -0.25 0.00 -1.00 0.00 0.00 55.73 54.08 1vsj s ARG 95 Cb 0.09 0.12 0.02 0.00 0.00 0.00 0.00 34.95 35.18 1vsj s ARG 95 CO 0.81 -0.06 0.88 0.14 0.00 0.00 0.00 175.30 177.07 1vsj s VAL 96 N -1.12 4.58 0.33 7.11 -7.23 -1.26 -4.75 120.40 118.06 1vsj s VAL 96 Ca -0.12 0.86 0.07 0.00 -1.81 0.00 0.00 61.98 60.97 1vsj s VAL 96 Cb -0.07 -4.34 -0.03 0.00 0.56 0.00 0.00 36.38 32.49 1vsj s VAL 96 CO -0.00 -0.65 0.26 0.42 -0.31 0.00 0.00 175.10 174.82 1vsj s THR 97 N 3.47 0.04 0.13 5.32 -4.23 -1.26 -5.01 115.64 114.10 1vsj s THR 97 Ca 0.35 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.75 1vsj s THR 97 Cb -0.12 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 71.14 1vsj s THR 97 CO 0.22 0.00 1.40 0.28 -0.54 0.00 0.00 174.62 175.98 1vsj h SER 98 N 2.14 0.96 -0.54 3.99 0.02 -1.94 -3.02 113.55 115.15 1vsj h SER 98 Ca -0.26 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.13 1vsj h SER 98 Cb 1.24 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1vsj h SER 98 CO 0.39 1.33 0.24 0.58 -1.14 0.00 0.00 176.83 178.23 1vsj h VAL 99 N 0.64 1.21 -0.60 2.27 2.07 -1.97 -1.94 116.25 117.93 1vsj h VAL 99 Ca 0.00 -0.62 0.09 0.00 0.82 0.00 0.00 66.70 67.00 1vsj h VAL 99 Cb 1.19 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1vsj h VAL 99 CO 0.13 0.24 0.40 0.00 0.02 0.00 0.00 177.57 178.36 1vsj h ALA 100 N 1.08 1.99 -0.31 1.67 0.00 -1.82 0.12 119.26 121.98 1vsj h ALA 100 Ca 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1vsj h ALA 100 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1vsj h ALA 100 CO -0.02 -0.12 0.04 0.00 0.00 0.00 0.00 179.25 179.15 1vsj h ALA 101 N 1.69 0.42 -0.38 0.00 0.00 -1.38 -1.26 119.26 118.36 1vsj h ALA 101 Ca 0.28 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1vsj h ALA 101 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1vsj h ALA 101 CO -0.08 0.13 -0.21 1.96 0.00 0.00 0.00 179.25 181.04 1vsj h GLN 102 N 0.35 0.82 -0.62 0.00 4.20 -0.50 -1.06 115.11 118.30 1vsj h GLN 102 Ca 0.09 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1vsj h GLN 102 Cb 0.37 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1vsj h GLN 102 CO 0.01 1.00 0.34 0.45 -0.67 0.00 0.00 178.83 179.96 1vsj h HIS 103 N 0.62 0.85 -0.42 2.96 3.86 -0.81 0.19 115.15 122.40 1vsj h HIS 103 Ca 0.08 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.32 1vsj h HIS 103 Cb 0.77 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.93 1vsj h HIS 103 CO 0.06 0.61 0.14 1.25 0.86 0.00 0.00 177.93 180.85 1vsj h HIS 104 N 0.84 0.24 -0.04 2.45 -0.00 -1.09 -2.71 115.15 114.84 1vsj h HIS 104 Ca 0.22 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.49 1vsj h HIS 104 Cb 0.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 1vsj h HIS 104 CO -0.01 0.08 -0.55 -1.49 -0.00 0.00 0.00 177.93 175.96 1vsj h TRP 105 N 0.30 0.13 -0.83 5.26 6.55 -0.87 -1.10 115.95 125.39 1vsj h TRP 105 Ca 0.20 -0.05 0.02 0.00 0.95 0.00 0.00 58.89 60.01 1vsj h TRP 105 Cb 0.20 -0.03 -0.04 0.00 -0.86 0.00 0.00 29.16 28.43 1vsj h TRP 105 CO -0.16 0.63 0.54 0.00 -1.05 0.00 0.00 178.44 178.40 1vsj h ALA 106 N 1.36 1.06 -0.13 1.49 0.00 -0.65 0.21 119.26 122.59 1vsj h ALA 106 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1vsj h ALA 106 Cb 1.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1vsj h ALA 106 CO 0.08 0.42 0.00 1.15 0.00 0.00 0.00 179.25 180.90 1vsj h THR 107 N 1.09 1.25 -0.92 0.00 2.02 -1.28 -2.32 112.91 112.75 1vsj h THR 107 Ca 0.31 -0.82 0.08 0.00 0.77 0.00 0.00 66.41 66.75 1vsj h THR 107 Cb -0.08 1.53 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 1vsj h THR 107 CO -0.08 0.24 0.59 0.00 0.37 0.00 0.00 175.52 176.64 1vsj h ALA 108 N 0.76 1.54 0.10 6.16 0.00 -0.69 -1.86 119.26 125.27 1vsj h ALA 108 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vsj h ALA 108 Cb 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1vsj h ALA 108 CO 0.01 0.30 -0.05 0.82 0.00 0.00 0.00 179.25 180.33 1vsj h ILE 109 N 1.00 0.95 -0.36 0.00 2.04 -0.39 0.85 117.51 121.60 1vsj h ILE 109 Ca 0.41 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 66.15 1vsj h ILE 109 Cb 0.28 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1vsj h ILE 109 CO -0.17 0.04 0.24 0.00 0.00 0.00 0.00 178.15 178.27 1vsj h ALA 110 N 0.68 2.02 0.08 1.87 0.00 -0.93 0.49 119.26 123.47 1vsj h ALA 110 Ca -0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1vsj h ALA 110 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1vsj h ALA 110 CO 0.02 -0.09 -1.10 0.28 0.00 0.00 0.00 179.25 178.36 1vsj h VAL 111 N 0.25 1.18 -0.01 0.00 2.07 -0.83 -3.41 116.25 115.50 1vsj h VAL 111 Ca 0.16 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1vsj h VAL 111 Cb 0.31 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1vsj h VAL 111 CO -0.03 0.62 -0.36 0.18 0.02 0.00 0.00 177.57 178.00 1vsj n LEU 112 N -4.14 1.57 0.00 2.57 4.77 0.29 -5.10 117.00 116.97 1vsj n LEU 112 Ca -0.23 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1vsj n LEU 112 Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1vsj n LEU 112 CO 0.37 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1vsj n GLY 113 N 1.17 0.25 3.72 -0.72 0.00 0.17 -4.93 105.19 104.85 1vsj n GLY 113 Ca 0.06 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1vsj n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vsj s ARG 114 N -1.58 4.52 0.74 1.61 3.52 -1.26 -4.41 118.95 122.08 1vsj s ARG 114 Ca 0.00 1.14 -0.06 0.00 -0.13 0.00 0.00 55.73 56.69 1vsj s ARG 114 Cb 0.00 -3.42 0.11 0.00 -1.56 0.00 0.00 34.95 30.08 1vsj s ARG 114 CO 0.00 0.12 1.04 -1.25 -0.81 0.00 0.00 175.30 174.40 1vsj s PRO 115 N 0.51 1.74 -0.03 5.12 0.04 -1.26 -4.99 135.00 136.14 1vsj s PRO 115 Ca 0.43 -0.64 -0.00 0.00 0.04 0.00 0.00 61.00 60.82 1vsj s PRO 115 Cb -0.20 -2.20 -0.26 0.00 0.04 0.00 0.00 34.50 31.88 1vsj s PRO 115 CO 0.24 -1.49 0.73 0.87 0.04 0.00 0.00 177.00 177.39 1vsj h LYS 116 N -0.71 0.20 -3.03 4.56 1.79 -1.02 -3.44 116.57 114.92 1vsj h LYS 116 Ca -0.41 -0.34 -0.09 0.00 -2.18 0.00 0.00 60.65 57.63 1vsj h LYS 116 Cb 1.28 0.13 -0.18 0.00 -1.58 0.00 0.00 32.23 31.88 1vsj h LYS 116 CO 0.48 1.01 -0.18 0.00 -1.08 0.00 0.00 179.45 179.68 1vsj s ALA 117 N -2.60 -0.90 -0.04 3.86 0.00 -1.20 -1.53 121.76 119.34 1vsj s ALA 117 Ca -0.11 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.22 1vsj s ALA 117 Cb 0.07 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1vsj s ALA 117 CO 0.83 -0.37 -0.22 0.42 0.00 0.00 0.00 175.76 176.42 1vsj s ILE 118 N -2.03 1.78 -0.22 0.00 1.01 0.14 -2.07 121.20 119.82 1vsj s ILE 118 Ca -0.08 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.60 1vsj s ILE 118 Cb -0.02 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1vsj s ILE 118 CO 0.00 0.50 -0.02 -0.75 0.00 0.00 0.00 174.94 174.67 1vsj s LYS 119 N -0.17 3.47 0.36 2.79 2.20 0.52 -1.96 119.74 126.96 1vsj s LYS 119 Ca -0.01 -0.58 0.04 0.00 -0.36 0.00 0.00 55.97 55.05 1vsj s LYS 119 Cb -0.12 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1vsj s LYS 119 CO 0.02 -0.13 0.12 0.95 -0.36 0.00 0.00 175.35 175.96 1vsj s THR 120 N 1.34 0.64 0.00 3.43 -4.23 -0.99 -1.55 115.64 114.27 1vsj s THR 120 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1vsj s THR 120 Cb -0.14 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1vsj s THR 120 CO -0.01 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.17 1vsj n ASP 121 N -1.07 0.00 -1.72 3.99 5.68 -1.26 -4.01 116.55 118.15 1vsj n ASP 121 Ca -0.03 -0.67 0.04 0.00 -0.50 0.00 0.00 54.79 53.63 1vsj n ASP 121 Cb 0.65 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.97 1vsj n ASP 121 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1vsj n ASN 122 N -2.01 4.97 -4.45 -1.12 4.13 -1.26 -4.82 115.26 110.70 1vsj n ASN 122 Ca 0.00 -2.84 -0.39 0.00 1.68 0.00 0.00 54.58 53.03 1vsj n ASN 122 Cb 0.00 -0.67 0.03 0.00 -1.54 0.00 0.00 39.78 37.60 1vsj n ASN 122 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vsj n GLY 123 N 0.44 -1.56 2.47 7.41 0.00 -1.26 -4.73 105.19 107.96 1vsj n GLY 123 Ca 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 1vsj n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vsj n SER 124 N 0.84 1.76 0.00 1.61 3.41 -1.26 -2.88 113.62 117.11 1vsj n SER 124 Ca 0.11 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1vsj n SER 124 Cb 0.45 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1vsj n SER 124 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1vsj n PHE 126 N 3.31 0.00 0.37 7.33 3.72 -1.26 -1.82 117.46 129.10 1vsj n PHE 126 Ca 0.15 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.60 1vsj n PHE 126 Cb 0.21 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.80 1vsj n PHE 126 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1vsj n THR 127 N 0.00 0.09 -1.10 4.37 -2.24 -1.14 -4.71 114.28 109.55 1vsj n THR 127 Ca 0.00 -0.54 -0.31 0.00 -2.27 0.00 0.00 64.05 60.93 1vsj n THR 127 Cb 0.00 1.15 0.12 0.00 -2.10 0.00 0.00 70.33 69.49 1vsj n THR 127 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vsj s SER 128 N -0.87 3.99 0.28 3.42 1.04 -0.76 -4.83 113.70 115.98 1vsj s SER 128 Ca 0.13 1.89 -0.01 0.00 0.48 0.00 0.00 55.95 58.43 1vsj s SER 128 Cb 0.09 -2.51 0.45 0.00 0.10 0.00 0.00 66.02 64.15 1vsj s SER 128 CO 0.13 -2.38 1.91 0.11 0.98 0.00 0.00 173.24 173.99 1vsj h LYS 129 N -1.37 1.10 0.51 4.02 1.79 -1.95 -1.10 116.57 119.57 1vsj h LYS 129 Ca -0.44 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 57.95 1vsj h LYS 129 Cb 1.25 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1vsj h LYS 129 CO 0.49 0.73 -0.35 1.03 -1.08 0.00 0.00 179.45 180.26 1vsj h SER 130 N 1.13 -0.91 -0.33 0.86 0.87 -1.99 0.61 113.55 113.79 1vsj h SER 130 Ca 0.40 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.97 1vsj h SER 130 Cb 0.12 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1vsj h SER 130 CO -0.14 -0.54 0.05 0.74 -0.53 0.00 0.00 176.83 176.41 1vsj h THR 131 N -0.84 1.21 -0.42 2.23 2.02 -1.82 -0.99 112.91 114.31 1vsj h THR 131 Ca -0.06 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.33 1vsj h THR 131 Cb 0.70 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1vsj h THR 131 CO 0.03 0.28 0.27 0.03 0.37 0.00 0.00 175.52 176.50 1vsj h ARG 132 N 0.62 0.53 -0.38 6.66 3.08 -0.78 -1.78 114.38 122.33 1vsj h ARG 132 Ca 0.13 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1vsj h ARG 132 Cb 0.32 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1vsj h ARG 132 CO 0.01 0.35 -0.12 1.49 -1.07 0.00 0.00 179.97 180.62 1vsj h GLU 133 N 0.54 0.67 -0.64 0.04 4.57 -0.46 -0.35 114.58 118.96 1vsj h GLU 133 Ca 0.16 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1vsj h GLU 133 Cb -0.04 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1vsj h GLU 133 CO -0.05 0.78 0.37 2.35 -1.18 0.00 0.00 179.01 181.28 1vsj h TRP 134 N 0.61 0.85 -0.28 0.92 7.01 -0.48 -0.68 115.95 123.91 1vsj h TRP 134 Ca 0.11 -0.01 -0.18 0.00 2.11 0.00 0.00 58.89 60.92 1vsj h TRP 134 Cb 0.57 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 1vsj h TRP 134 CO 0.03 0.59 -0.51 -0.07 -2.79 0.00 0.00 178.44 175.69 1vsj h LEU 135 N 0.86 0.93 -0.70 0.65 3.38 -1.30 -2.88 115.31 116.25 1vsj h LEU 135 Ca 0.23 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1vsj h LEU 135 Cb 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1vsj h LEU 135 CO -0.04 1.29 0.40 0.00 0.09 0.00 0.00 178.44 180.18 1vsj h ALA 136 N 0.67 0.90 -0.81 1.53 0.00 -0.69 -0.83 119.26 120.03 1vsj h ALA 136 Ca 0.01 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1vsj h ALA 136 Cb 1.12 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 1vsj h ALA 136 CO 0.11 0.40 0.44 -0.09 0.00 0.00 0.00 179.25 180.11 1vsj h ARG 137 N 0.97 0.69 0.00 0.00 2.43 -1.05 -0.87 114.38 116.54 1vsj h ARG 137 Ca 0.25 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1vsj h ARG 137 Cb 0.01 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1vsj h ARG 137 CO -0.04 0.45 -0.09 0.91 -1.51 0.00 0.00 179.97 179.69 1vsj n TRP 138 N -4.80 0.89 -0.75 2.20 7.02 -0.90 -4.94 117.44 116.16 1vsj n TRP 138 Ca 0.14 0.26 0.00 0.00 -1.02 0.00 0.00 57.50 56.88 1vsj n TRP 138 Cb 0.32 -0.91 0.00 0.00 -2.42 0.00 0.00 31.31 28.30 1vsj n TRP 138 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vsj n GLY 139 N 1.31 0.54 3.67 6.99 0.00 -0.33 -5.05 105.19 112.33 1vsj n GLY 139 Ca 0.05 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1vsj n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsj s ILE 140 N -2.00 5.37 0.58 -0.61 1.01 -0.85 -4.98 121.20 119.72 1vsj s ILE 140 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.68 1vsj s ILE 140 Cb 0.00 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1vsj s ILE 140 CO 0.00 0.36 1.04 0.00 0.00 0.00 0.00 174.94 176.34 1vsj s ALA 141 N 0.92 2.85 -0.07 9.38 0.00 -0.58 -4.45 121.76 129.80 1vsj s ALA 141 Ca 0.08 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 1vsj s ALA 141 Cb -0.13 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.83 1vsj s ALA 141 CO 0.03 -0.66 0.32 -1.58 0.00 0.00 0.00 175.76 173.88 1vsj s HIS 142 N -2.56 -0.27 -0.05 0.00 2.46 -1.26 0.27 115.29 113.87 1vsj s HIS 142 Ca 0.62 0.58 -0.07 0.00 0.47 0.00 0.00 55.06 56.66 1vsj s HIS 142 Cb -0.14 0.11 0.01 0.00 -0.13 0.00 0.00 32.58 32.44 1vsj s HIS 142 CO 0.37 -0.29 0.17 -0.08 -2.47 0.00 0.00 174.74 172.44 1vsj s THR 143 N -0.59 0.02 -2.09 0.89 -1.32 -0.83 -4.95 115.64 106.78 1vsj s THR 143 Ca -0.07 -0.16 0.20 0.00 -1.21 0.00 0.00 61.69 60.45 1vsj s THR 143 Cb -0.04 -0.30 0.53 0.00 -1.51 0.00 0.00 72.50 71.18 1vsj s THR 143 CO 0.02 -0.09 1.46 0.35 -2.21 0.00 0.00 174.62 174.15 1vsj n THR 144 N 2.63 0.75 -3.18 5.08 -2.24 -1.26 -2.35 114.28 113.71 1vsj n THR 144 Ca -0.15 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1vsj n THR 144 Cb 0.58 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1vsj n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vsj n GLY 145 N 1.48 0.36 3.59 3.38 0.00 -1.26 -4.68 105.19 108.05 1vsj n GLY 145 Ca 0.20 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 1vsj n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsj s ILE 146 N 0.00 4.05 -0.63 -0.61 1.09 -1.26 -5.03 121.20 118.80 1vsj s ILE 146 Ca 0.00 -0.33 -0.33 0.00 -1.10 0.00 0.00 60.65 58.90 1vsj s ILE 146 Cb 0.00 -2.72 -0.15 0.00 -1.06 0.00 0.00 42.46 38.53 1vsj s ILE 146 CO 0.00 0.56 2.42 -0.81 -0.10 0.00 0.00 174.94 177.01 1vsj n PRO 147 N 2.72 0.55 -1.75 2.79 -0.04 -1.26 0.59 135.00 138.60 1vsj n PRO 147 Ca -0.18 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1vsj n PRO 147 Cb 0.53 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 1vsj n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsj n GLY 148 N 6.52 0.56 0.16 0.55 0.00 -1.26 -4.96 105.19 106.77 1vsj n GLY 148 Ca 0.51 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1vsj n GLY 148 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vsj n ASN 149 N -0.39 -0.41 0.00 1.61 2.85 0.20 -4.82 115.26 114.30 1vsj n ASN 149 Ca 0.00 0.73 0.00 0.00 -0.11 0.00 0.00 54.58 55.20 1vsj n ASN 149 Cb 0.42 -0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.33 1vsj n ASN 149 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1vsj n SER 150 N -4.34 0.00 0.00 1.20 2.88 -1.26 -4.84 113.62 107.26 1vsj n SER 150 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1vsj n SER 150 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1vsj n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vsj n GLN 151 N 0.00 3.85 -1.44 -1.46 6.02 -1.26 -4.92 117.38 118.17 1vsj n GLN 151 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1vsj n GLN 151 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1vsj n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vsj n GLY 152 N 5.00 0.94 0.01 1.08 0.00 -1.26 -4.72 105.19 106.24 1vsj n GLY 152 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1vsj n GLY 152 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vsj n GLN 153 N -2.59 0.00 -0.29 1.61 1.13 -1.26 -4.93 117.38 111.05 1vsj n GLN 153 Ca -0.10 -0.42 -0.05 0.00 -1.94 0.00 0.00 57.00 54.49 1vsj n GLN 153 Cb 0.37 -0.41 0.07 0.00 0.11 0.00 0.00 30.24 30.38 1vsj n GLN 153 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vsj h ALA 154 N 0.00 1.02 -0.28 -1.58 0.00 -1.95 -0.36 119.26 116.11 1vsj h ALA 154 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1vsj h ALA 154 Cb 1.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1vsj h ALA 154 CO 0.00 0.52 0.14 0.52 0.00 0.00 0.00 179.25 180.43 1vsj h MET 155 N 1.11 0.40 -0.58 0.00 2.86 -1.99 0.04 114.93 116.78 1vsj h MET 155 Ca 0.28 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1vsj h MET 155 Cb 0.01 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1vsj h MET 155 CO -0.05 0.38 0.17 -0.24 1.06 0.00 0.00 176.91 178.23 1vsj h VAL 156 N 0.33 1.23 -0.45 -2.22 3.04 -1.82 0.62 116.25 116.97 1vsj h VAL 156 Ca 0.10 -0.78 -0.08 0.00 -1.01 0.00 0.00 66.70 64.93 1vsj h VAL 156 Cb 0.10 0.60 -0.02 0.00 -2.01 0.00 0.00 31.29 29.96 1vsj h VAL 156 CO -0.01 0.30 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.48 1vsj h GLU 157 N 0.85 0.81 -0.12 4.17 4.39 -0.86 -1.32 114.58 122.51 1vsj h GLU 157 Ca 0.19 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1vsj h GLU 157 Cb 0.26 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1vsj h GLU 157 CO -0.01 0.89 0.04 -0.09 -1.16 0.00 0.00 179.01 178.69 1vsj h ARG 158 N 0.65 0.17 -0.83 2.33 2.43 -0.44 -2.86 114.38 115.83 1vsj h ARG 158 Ca 0.12 -0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.42 1vsj h ARG 158 Cb 0.55 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 1vsj h ARG 158 CO 0.03 0.28 0.55 0.00 -1.51 0.00 0.00 179.97 179.32 1vsj h ALA 159 N 0.88 2.04 -0.39 2.80 0.00 0.57 -1.48 119.26 123.68 1vsj h ALA 159 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vsj h ALA 159 Cb 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1vsj h ALA 159 CO -0.00 -0.27 0.14 -0.91 0.00 0.00 0.00 179.25 178.21 1vsj h ASN 160 N 0.50 0.56 0.13 0.00 2.35 -1.10 -0.44 115.58 117.58 1vsj h ASN 160 Ca 0.42 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1vsj h ASN 160 Cb 0.87 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1vsj h ASN 160 CO -0.16 0.59 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.06 1vsj h ARG 161 N 0.49 -0.17 -0.67 0.81 2.43 -1.14 -0.86 114.38 115.27 1vsj h ARG 161 Ca 0.13 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1vsj h ARG 161 Cb 0.22 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1vsj h ARG 161 CO -0.01 0.14 0.35 -0.07 -1.51 0.00 0.00 179.97 178.87 1vsj h LEU 162 N -0.49 0.48 -0.37 3.80 3.38 -1.20 -1.65 115.31 119.25 1vsj h LEU 162 Ca -0.02 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1vsj h LEU 162 Cb 0.39 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1vsj h LEU 162 CO 0.03 0.29 0.09 0.25 0.09 0.00 0.00 178.44 179.19 1vsj h LEU 163 N 0.62 0.04 -1.64 1.67 5.85 -1.06 -0.92 115.31 119.87 1vsj h LEU 163 Ca 0.32 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 1vsj h LEU 163 Cb 0.28 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1vsj h LEU 163 CO -0.23 0.06 -0.17 0.11 -0.34 0.00 0.00 178.44 177.88 1vsj h LYS 164 N 0.22 0.00 0.08 1.25 1.57 -0.24 -1.64 116.57 117.82 1vsj h LYS 164 Ca 0.17 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.67 1vsj h LYS 164 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1vsj h LYS 164 CO -0.22 0.17 -1.41 0.22 -0.57 0.00 0.00 179.45 177.63 1vsj h ASP 165 N 0.00 0.28 -0.36 0.86 3.58 -1.02 -2.58 116.42 117.18 1vsj h ASP 165 Ca -0.00 -0.37 -0.12 0.00 0.42 0.00 0.00 57.03 56.96 1vsj h ASP 165 Cb 0.48 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1vsj h ASP 165 CO 0.02 1.31 -0.22 0.50 -2.88 0.00 0.00 179.24 177.96 1vsj h LYS 166 N 0.05 0.86 0.22 0.28 1.63 -0.94 0.42 116.57 119.09 1vsj h LYS 166 Ca -0.19 -0.36 -0.01 0.00 -0.85 0.00 0.00 60.65 59.24 1vsj h LYS 166 Cb 1.96 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.56 1vsj h LYS 166 CO 0.15 0.99 -0.11 0.82 -3.45 0.00 0.00 179.45 177.86 1vsj h ILE 167 N 0.74 0.78 -0.06 2.00 2.04 -1.35 0.77 117.51 122.42 1vsj h ILE 167 Ca 0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 1vsj h ILE 167 Cb 0.76 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1vsj h ILE 167 CO 0.06 0.00 0.04 -0.09 0.00 0.00 0.00 178.15 178.16 1vsj h ARG 168 N -0.30 0.08 -0.15 2.37 2.43 -1.26 0.21 114.38 117.76 1vsj h ARG 168 Ca -0.03 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1vsj h ARG 168 Cb 0.23 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1vsj h ARG 168 CO 0.04 0.09 -0.26 -0.39 -1.51 0.00 0.00 179.97 177.94 1vsj h VAL 169 N 0.05 1.24 -0.03 0.20 -1.51 0.07 -1.14 116.25 115.13 1vsj h VAL 169 Ca 0.02 -1.15 -0.20 0.00 -1.23 0.00 0.00 66.70 64.14 1vsj h VAL 169 Cb 0.03 1.42 -0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1vsj h VAL 169 CO -0.00 0.35 -0.82 -0.07 -1.23 0.00 0.00 177.57 175.79 1vsj h LEU 170 N 0.24 0.44 0.06 4.19 3.38 -0.62 -1.35 115.31 121.65 1vsj h LEU 170 Ca 0.04 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1vsj h LEU 170 Cb 0.59 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1vsj h LEU 170 CO 0.04 1.09 -0.03 0.00 0.09 0.00 0.00 178.44 179.63 1vsj h ALA 171 N 0.89 -0.07 -0.27 1.53 0.00 -0.46 -2.45 119.26 118.42 1vsj h ALA 171 Ca -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1vsj h ALA 171 Cb 1.43 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1vsj h ALA 171 CO 0.14 -0.36 0.13 0.93 0.00 0.00 0.00 179.25 180.09 1vsj h GLU 172 N -0.45 0.37 -0.64 0.00 5.08 -1.21 -0.58 114.58 117.16 1vsj h GLU 172 Ca -0.01 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1vsj h GLU 172 Cb 0.40 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1vsj h GLU 172 CO 0.01 0.29 0.42 0.78 -1.00 0.00 0.00 179.01 179.52 1vsj h GLY 173 N 0.48 0.82 -0.72 -3.84 0.00 -0.76 -0.45 103.07 98.61 1vsj h GLY 173 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1vsj h GLY 173 CO -0.01 0.21 0.00 1.22 0.00 0.00 0.00 176.54 177.96 1vsj n ASP 174 N -4.47 1.35 0.00 0.19 8.00 -0.32 -4.89 116.55 116.40 1vsj n ASP 174 Ca 0.09 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.78 1vsj n ASP 174 Cb 0.20 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1vsj n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vsj n GLY 175 N 0.99 0.69 3.25 0.44 0.00 -0.18 -5.03 105.19 105.36 1vsj n GLY 175 Ca 0.13 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1vsj n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vsj s PHE 176 N -2.00 3.34 -2.65 1.61 0.08 -0.61 -4.94 117.98 112.80 1vsj s PHE 176 Ca 0.00 -1.59 0.26 0.00 0.12 0.00 0.00 56.93 55.72 1vsj s PHE 176 Cb 0.00 -2.74 0.70 0.00 -0.57 0.00 0.00 43.02 40.41 1vsj s PHE 176 CO 0.00 -0.82 1.55 -1.33 -0.10 0.00 0.00 175.22 174.52 1vsj n MET 177 N 4.84 1.94 0.00 0.44 2.81 -1.26 -3.39 117.12 122.50 1vsj n MET 177 Ca -0.10 -1.37 0.00 0.00 -1.81 0.00 0.00 57.70 54.42 1vsj n MET 177 Cb 0.43 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1vsj n MET 177 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1vsj n LYS 178 N 0.66 0.00 -2.55 0.03 4.76 -1.26 -5.07 118.16 114.73 1vsj n LYS 178 Ca 0.17 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.21 1vsj n LYS 178 Cb 0.45 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.59 1vsj n LYS 178 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1vsj s ARG 179 N 3.30 4.68 0.13 1.97 3.52 -1.26 -4.71 118.95 126.58 1vsj s ARG 179 Ca 0.00 1.71 -0.22 0.00 -0.13 0.00 0.00 55.73 57.09 1vsj s ARG 179 Cb 0.00 -3.19 -0.07 0.00 -1.56 0.00 0.00 34.95 30.13 1vsj s ARG 179 CO 0.00 0.28 0.68 0.42 -0.81 0.00 0.00 175.30 175.88 1vsj s ILE 180 N -1.19 4.54 0.26 4.11 1.01 0.50 -4.99 121.20 125.46 1vsj s ILE 180 Ca 0.44 1.45 -0.30 0.00 0.00 0.00 0.00 60.65 62.24 1vsj s ILE 180 Cb -0.30 -4.01 -0.14 0.00 0.01 0.00 0.00 42.46 38.02 1vsj s ILE 180 CO 0.38 0.50 1.19 -2.65 0.00 0.00 0.00 174.94 174.36 1vsj n PRO 181 N 1.54 1.63 -0.12 2.79 -0.02 -1.26 -4.81 135.00 134.75 1vsj n PRO 181 Ca -0.07 0.58 0.20 0.00 -2.02 0.00 0.00 63.50 62.18 1vsj n PRO 181 Cb 0.50 -2.08 0.61 0.00 -0.02 0.00 0.00 33.50 32.50 1vsj n PRO 181 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1vsj h THR 182 N 2.49 0.71 0.00 3.45 2.02 -1.94 -0.78 112.91 118.87 1vsj h THR 182 Ca -0.43 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 1vsj h THR 182 Cb 1.31 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1vsj h THR 182 CO 0.67 0.04 -0.16 0.77 0.37 0.00 0.00 175.52 177.20 1vsj h SER 183 N 0.20 0.00 0.36 4.18 4.64 -2.00 -3.16 113.55 117.76 1vsj h SER 183 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1vsj h SER 183 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1vsj h SER 183 CO -0.07 0.16 -0.90 0.29 -0.87 0.00 0.00 176.83 175.44 1vsj n LYS 184 N -3.23 0.16 0.12 4.77 4.76 -0.31 -4.64 118.16 119.81 1vsj n LYS 184 Ca 0.01 -0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.32 1vsj n LYS 184 Cb 0.47 -1.55 -0.07 0.00 -1.84 0.00 0.00 35.03 32.04 1vsj n LYS 184 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1vsj h GLN 185 N 0.00 -0.23 -0.10 1.97 4.20 -1.50 -1.72 115.11 117.73 1vsj h GLN 185 Ca 0.00 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.77 1vsj h GLN 185 Cb 0.63 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.41 1vsj h GLN 185 CO 0.00 -0.16 -0.27 0.78 -0.67 0.00 0.00 178.83 178.52 1vsj h GLY 186 N -0.24 -0.34 1.58 3.46 0.00 -1.82 0.73 103.07 106.43 1vsj h GLY 186 Ca -0.02 0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.58 1vsj h GLY 186 CO 0.02 -0.21 -0.09 0.83 0.00 0.00 0.00 176.54 177.09 1vsj h GLU 187 N -0.36 0.52 -0.34 4.80 5.08 -1.86 0.18 114.58 122.59 1vsj h GLU 187 Ca 0.09 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1vsj h GLU 187 Cb 0.49 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1vsj h GLU 187 CO -0.30 0.61 -0.45 1.25 -1.00 0.00 0.00 179.01 179.12 1vsj h LEU 188 N 0.48 0.99 -0.45 1.33 6.46 -0.40 -1.06 115.31 122.65 1vsj h LEU 188 Ca 0.09 -0.49 -0.03 0.00 -0.12 0.00 0.00 57.88 57.33 1vsj h LEU 188 Cb 0.45 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1vsj h LEU 188 CO 0.02 1.29 0.17 0.25 -0.62 0.00 0.00 178.44 179.55 1vsj h LEU 189 N 0.72 0.64 -0.73 2.25 5.85 1.00 -1.55 115.31 123.47 1vsj h LEU 189 Ca 0.04 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.66 1vsj h LEU 189 Cb 1.05 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 1vsj h LEU 189 CO 0.11 0.64 0.40 0.00 -0.34 0.00 0.00 178.44 179.25 1vsj h ALA 190 N 1.02 1.01 -0.38 1.25 0.00 -0.75 -1.58 119.26 119.83 1vsj h ALA 190 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1vsj h ALA 190 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1vsj h ALA 190 CO -0.01 0.03 0.24 -0.22 0.00 0.00 0.00 179.25 179.29 1vsj h LYS 191 N 0.69 0.51 -0.86 0.00 3.64 -0.91 -1.38 116.57 118.26 1vsj h LYS 191 Ca 0.35 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1vsj h LYS 191 Cb 0.30 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1vsj h LYS 191 CO -0.23 0.36 0.52 0.00 -2.27 0.00 0.00 179.45 177.83 1vsj h ALA 192 N 1.12 1.09 -0.54 5.00 0.00 -0.33 -0.13 119.26 125.48 1vsj h ALA 192 Ca 0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1vsj h ALA 192 Cb -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1vsj h ALA 192 CO -0.03 0.55 0.00 1.98 0.00 0.00 0.00 179.25 181.76 1vsj h MET 193 N 1.18 0.94 -0.18 0.00 1.85 -1.10 -1.70 114.93 115.92 1vsj h MET 193 Ca 0.31 -0.30 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 1vsj h MET 193 Cb -0.05 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 31.88 1vsj h MET 193 CO -0.06 0.95 0.09 -0.92 -0.40 0.00 0.00 176.91 176.57 1vsj h TYR 194 N 0.82 0.25 -0.98 1.39 3.20 -1.14 -2.35 116.97 118.16 1vsj h TYR 194 Ca 0.15 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1vsj h TYR 194 Cb 0.53 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 1vsj h TYR 194 CO 0.04 0.27 0.65 0.00 -1.64 0.00 0.00 178.16 177.48 1vsj h ALA 195 N 0.95 1.32 0.00 1.82 0.00 -0.74 -0.62 119.26 121.99 1vsj h ALA 195 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vsj h ALA 195 Cb 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1vsj h ALA 195 CO -0.01 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1vsj n LEU 196 N -4.39 0.80 -0.08 0.00 4.77 -0.66 -4.01 117.00 113.43 1vsj n LEU 196 Ca 0.12 0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 56.59 1vsj n LEU 196 Cb 0.03 -0.32 -0.12 0.00 -2.33 0.00 0.00 43.42 40.68 1vsj n LEU 196 CO 0.37 -0.18 -1.03 0.59 -1.33 0.00 0.00 177.39 175.80 1vsj n ASN 197 N -2.25 1.44 -4.10 -1.43 3.02 -0.89 -4.89 115.26 106.16 1vsj n ASN 197 Ca 0.06 -0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 54.27 1vsj n ASN 197 Cb 0.43 0.66 -0.16 0.00 -0.61 0.00 0.00 39.78 40.09 1vsj n ASN 197 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1vsj s HIS 198 N -2.38 2.57 0.00 3.10 3.76 -0.26 -5.04 115.29 117.04 1vsj s HIS 198 Ca -0.11 -1.47 0.00 0.00 -0.15 0.00 0.00 55.06 53.33 1vsj s HIS 198 Cb 0.05 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.94 1vsj s HIS 198 CO 0.60 -0.73 0.11 1.19 -0.85 0.00 0.00 174.74 175.06