#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v32 s SER 2 N 0.00 -0.05 0.16 1.61 0.15 -1.26 -5.18 113.70 109.13 1v32 s SER 2 Ca 0.00 0.00 -0.10 0.00 0.70 0.00 0.00 55.95 56.55 1v32 s SER 2 Cb 0.00 0.86 -0.00 0.00 -1.71 0.00 0.00 66.02 65.16 1v32 s SER 2 CO 0.00 -0.01 0.30 -0.44 1.20 0.00 0.00 173.24 174.29 1v32 s SER 3 N 2.81 0.02 0.00 5.45 0.01 -1.26 -5.17 113.70 115.57 1v32 s SER 3 Ca 0.30 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1v32 s SER 3 Cb 0.01 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1v32 s SER 3 CO -0.21 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.16 1v32 n GLY 4 N -0.21 -2.31 2.17 3.44 0.00 -1.26 -5.05 105.19 101.96 1v32 n GLY 4 Ca -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1v32 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v32 n SER 5 N 0.00 -3.11 0.00 1.61 2.88 -1.26 -5.15 113.62 108.59 1v32 n SER 5 Ca 0.00 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1v32 n SER 5 Cb 0.00 2.98 0.00 0.00 -0.75 0.00 0.00 64.21 66.44 1v32 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v32 n SER 6 N -3.30 0.00 -3.95 -3.46 7.64 -1.26 -5.16 113.62 104.12 1v32 n SER 6 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1v32 n SER 6 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1v32 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v32 s GLY 7 N 0.00 0.61 -0.34 0.23 0.00 -1.26 -4.92 107.32 101.64 1v32 s GLY 7 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.39 1v32 s GLY 7 CO 0.00 0.30 0.42 0.28 0.00 0.00 0.00 173.10 174.09 1v32 n LYS 8 N 3.95 -2.17 -2.20 2.90 4.76 -1.26 -4.94 118.16 119.20 1v32 n LYS 8 Ca -0.24 1.97 -0.39 0.00 -2.87 0.00 0.00 58.31 56.78 1v32 n LYS 8 Cb 0.51 -4.96 -0.01 0.00 -1.84 0.00 0.00 35.03 28.73 1v32 n LYS 8 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1v32 s ARG 9 N -2.18 3.97 0.26 1.97 1.70 -1.26 -5.03 118.95 118.37 1v32 s ARG 9 Ca 0.17 1.95 0.02 0.00 -0.47 0.00 0.00 55.73 57.40 1v32 s ARG 9 Cb -0.05 -2.67 -0.03 0.00 -0.57 0.00 0.00 34.95 31.63 1v32 s ARG 9 CO 0.65 -0.42 0.21 0.12 -1.08 0.00 0.00 175.30 174.78 1v32 s PHE 10 N -1.37 1.39 0.25 5.89 5.36 -1.26 -5.12 117.98 123.12 1v32 s PHE 10 Ca 0.58 -1.48 -0.28 0.00 -0.96 0.00 0.00 56.93 54.79 1v32 s PHE 10 Cb -0.33 -0.59 -0.15 0.00 -0.34 0.00 0.00 43.02 41.60 1v32 s PHE 10 CO 0.42 -0.76 0.76 0.39 -1.46 0.00 0.00 175.22 174.57 1v32 n GLU 11 N -0.43 0.68 -1.08 10.12 4.71 -1.26 -4.59 120.64 128.80 1v32 n GLU 11 Ca 0.04 0.24 0.15 0.00 -0.01 0.00 0.00 57.16 57.58 1v32 n GLU 11 Cb 0.64 -1.43 -0.04 0.00 -1.01 0.00 0.00 31.44 29.61 1v32 n GLU 11 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1v32 n PHE 12 N 0.09 -3.21 -3.27 -0.32 3.01 -1.26 -4.68 117.46 107.82 1v32 n PHE 12 Ca 0.14 1.34 -0.25 0.00 1.01 0.00 0.00 57.45 59.69 1v32 n PHE 12 Cb 0.29 -2.43 -0.08 0.00 -0.01 0.00 0.00 39.48 37.26 1v32 n PHE 12 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1v32 n VAL 13 N -3.54 -0.14 0.00 -4.37 3.14 -1.13 -4.90 118.33 107.40 1v32 n VAL 13 Ca 0.01 -4.20 0.00 0.00 -2.96 0.00 0.00 64.34 57.19 1v32 n VAL 13 Cb 0.49 -1.96 0.00 0.00 -1.06 0.00 0.00 33.84 31.31 1v32 n VAL 13 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1v32 n GLY 14 N 1.45 1.24 0.03 7.55 0.00 -1.26 -4.46 105.19 109.74 1v32 n GLY 14 Ca 0.23 -0.89 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 1v32 n GLY 14 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1v32 n TRP 15 N 0.00 0.00 -3.80 1.61 4.27 -1.26 -5.05 117.44 113.21 1v32 n TRP 15 Ca 0.00 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.40 1v32 n TRP 15 Cb 0.00 -0.25 -0.04 0.00 -1.36 0.00 0.00 31.31 29.66 1v32 n TRP 15 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1v32 s GLY 16 N -4.60 1.79 0.49 -1.67 0.00 -1.26 -1.56 107.32 100.51 1v32 s GLY 16 Ca -0.09 -1.66 -0.21 0.00 0.00 0.00 0.00 44.72 42.76 1v32 s GLY 16 CO 0.15 -1.58 1.09 -0.45 0.00 0.00 0.00 173.10 172.31 1v32 s SER 17 N -4.00 6.19 0.27 1.64 0.15 -1.25 -2.83 113.70 113.86 1v32 s SER 17 Ca 0.41 2.08 -0.03 0.00 0.70 0.00 0.00 55.95 59.11 1v32 s SER 17 Cb -0.06 -2.58 0.58 0.00 -1.71 0.00 0.00 66.02 62.26 1v32 s SER 17 CO 0.27 -0.89 1.62 -0.09 1.20 0.00 0.00 173.24 175.34 1v32 h ARG 18 N 1.66 0.11 -0.55 5.44 2.43 -1.90 0.31 114.38 121.86 1v32 h ARG 18 Ca -0.49 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.74 1v32 h ARG 18 Cb 1.24 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.66 1v32 h ARG 18 CO 0.59 0.07 -0.50 1.96 -1.51 0.00 0.00 179.97 180.58 1v32 h GLN 19 N 0.11 -0.26 -0.31 0.20 4.20 -1.91 1.49 115.11 118.64 1v32 h GLN 19 Ca 0.49 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.19 1v32 h GLN 19 Cb 0.94 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1v32 h GLN 19 CO -0.73 -0.17 0.08 1.25 -0.67 0.00 0.00 178.83 178.59 1v32 h LEU 20 N -0.27 0.46 0.00 1.46 5.85 -1.23 -1.70 115.31 119.88 1v32 h LEU 20 Ca 0.14 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1v32 h LEU 20 Cb 0.56 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1v32 h LEU 20 CO -0.68 0.57 0.00 -0.38 -0.34 0.00 0.00 178.44 177.61 1v32 n ILE 21 N -4.67 0.00 -0.36 4.05 2.08 0.84 -0.59 119.36 120.72 1v32 n ILE 21 Ca -0.02 1.35 0.00 0.00 0.56 0.00 0.00 62.75 64.64 1v32 n ILE 21 Cb 0.18 -2.18 0.05 0.00 -0.75 0.00 0.00 39.64 36.94 1v32 n ILE 21 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1v32 n GLU 22 N -1.82 -0.20 -0.28 0.38 2.13 0.49 0.16 120.64 121.50 1v32 n GLU 22 Ca 0.00 1.45 0.08 0.00 0.66 0.00 0.00 57.16 59.35 1v32 n GLU 22 Cb 0.00 -2.16 0.23 0.00 0.27 0.00 0.00 31.44 29.79 1v32 n GLU 22 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1v32 h PHE 23 N 0.00 0.53 -0.16 4.31 3.57 -1.04 0.48 116.94 124.63 1v32 h PHE 23 Ca 0.35 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.71 1v32 h PHE 23 Cb 0.58 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1v32 h PHE 23 CO -0.81 -0.00 -0.63 -0.07 -2.23 0.00 0.00 178.31 174.57 1v32 h LEU 24 N 0.40 0.65 0.11 0.59 3.38 0.40 -2.55 115.31 118.29 1v32 h LEU 24 Ca 0.47 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1v32 h LEU 24 Cb 0.80 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1v32 h LEU 24 CO -0.47 1.12 -0.07 0.45 0.09 0.00 0.00 178.44 179.56 1v32 h HIS 25 N 0.42 -0.18 0.49 1.13 3.86 0.37 1.03 115.15 122.26 1v32 h HIS 25 Ca -0.01 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1v32 h HIS 25 Cb 1.20 0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.72 1v32 h HIS 25 CO 0.05 -0.11 -0.50 0.77 0.86 0.00 0.00 177.93 179.00 1v32 h SER 26 N -0.18 -1.37 -1.41 2.45 0.02 -0.22 -0.43 113.55 112.41 1v32 h SER 26 Ca -0.01 0.11 0.42 0.00 -0.84 0.00 0.00 61.79 61.48 1v32 h SER 26 Cb 0.16 0.45 -0.09 0.00 0.14 0.00 0.00 62.40 63.05 1v32 h SER 26 CO 0.00 -0.66 0.96 -0.07 -1.14 0.00 0.00 176.83 175.93 1v32 h LEU 27 N -0.99 0.16 0.00 5.07 3.38 -1.37 -3.43 115.31 118.13 1v32 h LEU 27 Ca -0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1v32 h LEU 27 Cb 0.86 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1v32 h LEU 27 CO -0.06 -0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1v32 n GLY 28 N -1.66 1.52 3.72 0.83 0.00 -0.17 -5.10 105.19 104.33 1v32 n GLY 28 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 1v32 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v32 s LYS 29 N -0.13 4.64 -0.92 1.61 -0.14 0.35 -4.97 119.74 120.17 1v32 s LYS 29 Ca 0.00 1.48 -0.20 0.00 -1.36 0.00 0.00 55.97 55.89 1v32 s LYS 29 Cb 0.00 -3.39 0.11 0.00 -1.68 0.00 0.00 37.83 32.87 1v32 s LYS 29 CO 0.00 0.10 1.17 0.34 -0.76 0.00 0.00 175.35 176.20 1v32 s ASP 30 N 0.34 6.56 -0.93 2.83 -1.08 -1.26 -3.98 116.67 119.15 1v32 s ASP 30 Ca 0.49 -1.82 -0.06 0.00 -0.52 0.00 0.00 52.55 50.64 1v32 s ASP 30 Cb -0.23 -2.43 -0.05 0.00 -1.46 0.00 0.00 42.92 38.74 1v32 s ASP 30 CO 0.30 -1.19 2.13 0.35 0.52 0.00 0.00 175.17 177.28 1v32 n THR 31 N 5.81 2.48 -0.02 1.71 -2.24 -1.26 -4.39 114.28 116.37 1v32 n THR 31 Ca 0.23 -1.48 -0.01 0.00 -2.27 0.00 0.00 64.05 60.53 1v32 n THR 31 Cb 0.49 -2.14 -0.00 0.00 -2.10 0.00 0.00 70.33 66.58 1v32 n THR 31 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1v32 h SER 32 N 6.26 0.00 -3.31 3.42 0.87 -2.03 -3.47 113.55 115.28 1v32 h SER 32 Ca 0.50 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 60.39 1v32 h SER 32 Cb 0.17 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.99 1v32 h SER 32 CO 1.44 0.17 -0.63 -1.61 -0.53 0.00 0.00 176.83 175.68 1v32 s GLU 33 N -1.24 2.90 -0.45 2.24 2.02 -1.26 -5.01 118.70 117.90 1v32 s GLU 33 Ca -0.02 -0.51 -0.40 0.00 0.02 0.00 0.00 54.97 54.06 1v32 s GLU 33 Cb 0.00 -2.74 -0.17 0.00 0.10 0.00 0.00 34.13 31.32 1v32 s GLU 33 CO 0.03 0.66 1.84 -0.12 0.02 0.00 0.00 175.26 177.69 1v32 n MET 34 N 1.69 0.00 -2.97 1.61 0.00 -1.26 -4.87 117.12 111.31 1v32 n MET 34 Ca -0.16 0.00 -0.31 0.00 -0.00 0.00 0.00 57.70 57.23 1v32 n MET 34 Cb 0.53 -1.35 -0.05 0.00 0.00 0.00 0.00 33.22 32.35 1v32 n MET 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1v32 s ILE 35 N 4.92 4.72 0.09 1.12 1.01 -1.26 -5.03 121.20 126.76 1v32 s ILE 35 Ca 1.06 0.81 -0.30 0.00 0.00 0.00 0.00 60.65 62.22 1v32 s ILE 35 Cb -1.35 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 37.39 1v32 s ILE 35 CO 0.62 -0.37 1.11 -0.44 0.00 0.00 0.00 174.94 175.86 1v32 s SER 36 N -2.73 7.22 0.15 3.58 0.01 -1.26 -4.94 113.70 115.73 1v32 s SER 36 Ca 0.53 1.96 -0.27 0.00 1.31 0.00 0.00 55.95 59.48 1v32 s SER 36 Cb -0.10 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.54 1v32 s SER 36 CO 0.25 -0.32 1.57 -0.09 0.41 0.00 0.00 173.24 175.05 1v32 h ARG 37 N 6.18 -0.31 -1.00 12.44 2.43 -1.99 0.17 114.38 132.31 1v32 h ARG 37 Ca -0.42 0.02 0.35 0.00 -0.81 0.00 0.00 59.98 59.12 1v32 h ARG 37 Cb 1.21 0.07 -0.18 0.00 -0.42 0.00 0.00 29.97 30.65 1v32 h ARG 37 CO 0.77 -0.21 0.32 -0.92 -1.51 0.00 0.00 179.97 178.42 1v32 h TYR 38 N -0.32 0.46 0.26 2.20 3.20 -1.95 0.63 116.97 121.43 1v32 h TYR 38 Ca 0.14 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1v32 h TYR 38 Cb 0.58 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1v32 h TYR 38 CO -0.64 -0.45 -0.12 0.22 -1.64 0.00 0.00 178.16 175.53 1v32 h ASP 39 N 0.02 -0.29 -0.84 -2.11 1.82 -1.07 0.78 116.42 114.72 1v32 h ASP 39 Ca 0.74 0.01 0.21 0.00 -0.39 0.00 0.00 57.03 57.60 1v32 h ASP 39 Cb 1.79 0.08 -0.15 0.00 0.68 0.00 0.00 39.33 41.73 1v32 h ASP 39 CO -0.83 -0.19 0.07 0.58 -1.61 0.00 0.00 179.24 177.26 1v32 h VAL 40 N -0.37 0.27 -0.43 2.25 2.07 -0.48 0.75 116.25 120.31 1v32 h VAL 40 Ca -0.04 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1v32 h VAL 40 Cb 0.26 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1v32 h VAL 40 CO 0.06 0.02 0.24 0.28 0.02 0.00 0.00 177.57 178.19 1v32 h SER 41 N 0.12 0.53 -0.57 0.57 0.02 0.28 0.42 113.55 114.92 1v32 h SER 41 Ca 0.49 -0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.39 1v32 h SER 41 Cb 0.93 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.30 1v32 h SER 41 CO -0.72 0.46 0.34 -0.78 -1.14 0.00 0.00 176.83 174.99 1v32 h ASP 42 N 0.56 0.54 -0.44 3.07 3.58 0.64 0.24 116.42 124.61 1v32 h ASP 42 Ca 0.15 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 1v32 h ASP 42 Cb 0.04 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 1v32 h ASP 42 CO -0.03 0.38 0.17 0.74 -2.88 0.00 0.00 179.24 177.62 1v32 h THR 43 N 0.66 1.20 -0.24 2.25 2.02 0.39 -1.54 112.91 117.64 1v32 h THR 43 Ca 0.23 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1v32 h THR 43 Cb 0.04 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1v32 h THR 43 CO -0.11 0.25 0.06 0.40 0.37 0.00 0.00 175.52 176.49 1v32 h ILE 44 N 0.72 1.21 -0.98 3.11 2.04 0.31 0.48 117.51 124.40 1v32 h ILE 44 Ca 0.17 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.39 1v32 h ILE 44 Cb 0.19 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1v32 h ILE 44 CO -0.01 0.22 0.63 0.00 0.00 0.00 0.00 178.15 179.00 1v32 h ALA 45 N 0.88 1.42 0.10 1.87 0.00 -0.53 0.54 119.26 123.54 1v32 h ALA 45 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1v32 h ALA 45 Cb 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1v32 h ALA 45 CO 0.00 0.44 -0.05 -0.22 0.00 0.00 0.00 179.25 179.42 1v32 h LYS 46 N 1.15 -0.13 -0.57 0.00 3.64 -0.89 -2.94 116.57 116.83 1v32 h LYS 46 Ca 0.42 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.89 1v32 h LYS 46 Cb 0.15 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1v32 h LYS 46 CO -0.16 0.31 0.21 -0.92 -2.27 0.00 0.00 179.45 176.61 1v32 h TYR 47 N -0.63 0.36 -0.58 1.91 3.20 0.49 1.40 116.97 123.12 1v32 h TYR 47 Ca -0.01 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.00 1v32 h TYR 47 Cb 0.50 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.60 1v32 h TYR 47 CO 0.08 0.10 -0.01 0.82 -1.64 0.00 0.00 178.16 177.51 1v32 h ILE 48 N 0.39 0.52 -0.01 1.81 2.04 0.06 0.29 117.51 122.61 1v32 h ILE 48 Ca 0.29 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 1v32 h ILE 48 Cb 0.34 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1v32 h ILE 48 CO -0.29 0.02 -0.11 -1.28 0.00 0.00 0.00 178.15 176.49 1v32 h SER 49 N 0.11 0.11 -0.78 1.72 0.87 -1.04 1.55 113.55 116.08 1v32 h SER 49 Ca 0.30 -0.72 0.12 0.00 -1.23 0.00 0.00 61.79 60.26 1v32 h SER 49 Cb 0.47 -0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 62.26 1v32 h SER 49 CO -0.50 0.82 -0.39 0.50 -0.53 0.00 0.00 176.83 176.73 1v32 h LYS 50 N -0.58 -0.09 -0.09 2.24 1.63 0.26 -0.05 116.57 119.88 1v32 h LYS 50 Ca -0.01 0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.65 1v32 h LYS 50 Cb 0.83 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1v32 h LYS 50 CO 0.02 -0.06 -0.50 0.93 -3.45 0.00 0.00 179.45 176.39 1v32 h GLU 51 N -0.10 0.50 0.00 1.90 4.39 -0.53 -3.48 114.58 117.26 1v32 h GLU 51 Ca 0.27 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1v32 h GLU 51 Cb 0.57 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1v32 h GLU 51 CO -0.83 1.05 0.00 0.41 -1.16 0.00 0.00 179.01 178.48 1v32 n GLY 52 N 0.74 0.89 0.16 -3.84 0.00 0.87 -5.01 105.19 98.99 1v32 n GLY 52 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1v32 n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1v32 h LEU 53 N 0.00 0.00 -9.31 0.99 4.07 0.18 -3.47 115.31 107.77 1v32 h LEU 53 Ca 0.00 -0.02 -0.53 0.00 0.08 0.00 0.00 57.88 57.41 1v32 h LEU 53 Cb 0.00 0.00 0.23 0.00 1.08 0.00 0.00 40.66 41.97 1v32 h LEU 53 CO 0.00 0.01 -1.52 0.18 -1.08 0.00 0.00 178.44 176.03 1v32 n LEU 54 N -2.71 -3.46 -4.58 1.67 4.77 -1.24 -0.52 117.00 110.93 1v32 n LEU 54 Ca 0.04 0.17 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 1v32 n LEU 54 Cb 0.49 -0.88 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 1v32 n LEU 54 CO 0.34 -4.49 -0.38 -0.62 -1.33 0.00 0.00 177.39 170.90 1v32 s ASP 55 N -1.40 4.63 0.09 -1.43 2.15 -1.25 -4.50 116.67 114.97 1v32 s ASP 55 Ca 0.46 -0.07 -0.12 0.00 0.43 0.00 0.00 52.55 53.25 1v32 s ASP 55 Cb -0.14 -1.13 -0.18 0.00 -0.30 0.00 0.00 42.92 41.17 1v32 s ASP 55 CO 0.74 0.33 1.25 1.55 -0.17 0.00 0.00 175.17 178.88 1v32 h PRO 56 N 4.99 0.70 0.00 4.34 0.13 -1.96 -1.80 132.00 138.40 1v32 h PRO 56 Ca -0.49 -0.67 -0.02 0.00 -0.87 0.00 0.00 66.00 63.95 1v32 h PRO 56 Cb 1.17 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1v32 h PRO 56 CO 0.53 1.27 -0.08 1.03 -0.23 0.00 0.00 178.00 180.51 1v32 h SER 57 N 0.43 0.00 -0.42 1.44 0.87 -2.01 -3.40 113.55 110.45 1v32 h SER 57 Ca -0.10 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.67 1v32 h SER 57 Cb 1.57 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.33 1v32 h SER 57 CO 0.18 0.08 0.01 0.21 -0.53 0.00 0.00 176.83 176.79 1v32 s ASN 58 N -6.55 -0.63 0.42 6.23 2.47 -1.17 -5.02 114.94 110.69 1v32 s ASN 58 Ca -0.04 0.27 0.09 0.00 0.42 0.00 0.00 52.86 53.60 1v32 s ASN 58 Cb 0.15 1.48 0.88 0.00 -1.45 0.00 0.00 41.25 42.31 1v32 s ASN 58 CO 0.62 -0.12 2.02 0.11 -3.72 0.00 0.00 177.10 176.01 1v32 h LYS 59 N 7.79 0.37 -0.68 0.43 6.56 -1.56 -0.71 116.57 128.77 1v32 h LYS 59 Ca -0.12 -0.04 0.20 0.00 -1.06 0.00 0.00 60.65 59.62 1v32 h LYS 59 Cb 1.17 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.73 1v32 h LYS 59 CO -0.04 0.32 0.68 0.87 -2.06 0.00 0.00 179.45 179.22 1v32 h LYS 60 N 0.37 0.00 -6.91 3.15 1.79 -1.95 -3.40 116.57 109.61 1v32 h LYS 60 Ca 0.09 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.10 1v32 h LYS 60 Cb 0.10 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.81 1v32 h LYS 60 CO -0.01 0.00 0.01 0.15 -1.08 0.00 0.00 179.45 178.52 1v32 s LYS 61 N -4.64 2.12 -0.03 3.15 1.02 -0.27 -2.74 119.74 118.36 1v32 s LYS 61 Ca -0.04 -1.10 -0.00 0.00 0.02 0.00 0.00 55.97 54.85 1v32 s LYS 61 Cb 0.16 -2.46 0.03 0.00 -0.52 0.00 0.00 37.83 35.05 1v32 s LYS 61 CO 0.58 -1.05 0.02 0.08 -0.92 0.00 0.00 175.35 174.06 1v32 s VAL 62 N -2.90 0.06 -0.50 3.17 1.01 0.17 -3.83 120.40 117.58 1v32 s VAL 62 Ca 0.62 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.63 1v32 s VAL 62 Cb -0.07 -0.19 0.11 0.00 0.00 0.00 0.00 36.38 36.22 1v32 s VAL 62 CO 0.41 0.13 0.42 -0.69 0.00 0.00 0.00 175.10 175.37 1v32 s VAL 63 N 1.19 4.93 0.50 2.92 1.01 0.32 -0.28 120.40 130.99 1v32 s VAL 63 Ca -0.08 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.25 1v32 s VAL 63 Cb -0.13 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 1v32 s VAL 63 CO -0.02 -0.75 1.03 0.00 0.00 0.00 0.00 175.10 175.36 1v32 n ASP 65 N -0.06 1.45 0.14 0.00 2.03 -1.26 -4.87 116.55 113.97 1v32 n ASP 65 Ca 0.11 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1v32 n ASP 65 Cb 0.43 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1v32 n ASP 65 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1v32 n LYS 66 N -3.94 0.00 -0.23 -0.67 0.00 -1.26 -4.86 118.16 107.20 1v32 n LYS 66 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.19 1v32 n LYS 66 Cb 0.39 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.52 1v32 n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1v32 h ARG 67 N 0.00 0.04 -0.93 1.64 3.08 -1.97 0.73 114.38 116.97 1v32 h ARG 67 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1v32 h ARG 67 Cb 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1v32 h ARG 67 CO 0.00 0.03 0.59 -0.07 -1.07 0.00 0.00 179.97 179.45 1v32 h LEU 68 N 0.04 1.09 0.57 3.04 3.38 -1.94 0.22 115.31 121.70 1v32 h LEU 68 Ca 0.34 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1v32 h LEU 68 Cb 0.56 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1v32 h LEU 68 CO -0.66 0.81 -0.27 0.58 0.09 0.00 0.00 178.44 178.99 1v32 h VAL 69 N 1.27 0.41 0.00 1.22 2.07 -0.21 1.21 116.25 122.22 1v32 h VAL 69 Ca 0.34 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1v32 h VAL 69 Cb -0.11 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1v32 h VAL 69 CO -0.07 0.02 0.12 -0.07 0.02 0.00 0.00 177.57 177.59 1v32 h LEU 70 N -0.86 0.00 0.00 2.57 4.07 0.45 1.45 115.31 122.99 1v32 h LEU 70 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1v32 h LEU 70 Cb 0.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1v32 h LEU 70 CO 0.13 0.00 -0.04 0.25 -1.08 0.00 0.00 178.44 177.70 1v32 h LEU 71 N 0.00 0.00 0.00 1.67 5.85 0.21 -3.45 115.31 119.60 1v32 h LEU 71 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1v32 h LEU 71 Cb 0.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1v32 h LEU 71 CO 0.00 0.07 -0.40 -0.26 -0.34 0.00 0.00 178.44 177.51 1v32 h PHE 72 N -0.09 0.00 0.00 1.25 0.04 0.17 -3.46 116.94 114.85 1v32 h PHE 72 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1v32 h PHE 72 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1v32 h PHE 72 CO -0.02 0.75 0.00 0.41 -0.60 0.00 0.00 178.31 178.85 1v32 n GLY 73 N 1.60 1.28 3.72 -1.45 0.00 0.49 -5.00 105.19 105.83 1v32 n GLY 73 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1v32 n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v32 s THR 74 N -2.00 3.59 -0.12 2.61 -4.23 -1.26 -4.98 115.64 109.24 1v32 s THR 74 Ca 0.00 -1.72 -0.18 0.00 -1.18 0.00 0.00 61.69 58.61 1v32 s THR 74 Cb 0.00 -3.02 -0.26 0.00 1.34 0.00 0.00 72.50 70.56 1v32 s THR 74 CO 0.00 -0.32 0.55 -0.09 -0.54 0.00 0.00 174.62 174.23 1v32 h ARG 75 N 1.69 0.19 -5.32 3.99 9.65 -1.94 -3.39 114.38 119.24 1v32 h ARG 75 Ca -0.45 -0.32 -0.41 0.00 -1.10 0.00 0.00 59.98 57.70 1v32 h ARG 75 Cb 1.25 0.12 -0.21 0.00 -1.39 0.00 0.00 29.97 29.74 1v32 h ARG 75 CO 0.61 1.15 -0.78 0.95 2.80 0.00 0.00 179.97 184.71 1v32 s THR 76 N -2.43 1.10 0.33 0.20 -4.23 -1.26 0.17 115.64 109.53 1v32 s THR 76 Ca -0.21 -1.34 -0.07 0.00 -1.18 0.00 0.00 61.69 58.90 1v32 s THR 76 Cb 0.04 -1.10 0.01 0.00 1.34 0.00 0.00 72.50 72.79 1v32 s THR 76 CO 0.74 -0.25 0.53 0.27 -0.54 0.00 0.00 174.62 175.37 1v32 s ILE 77 N -1.36 0.00 -0.23 2.99 -4.36 0.62 -4.93 121.20 113.92 1v32 s ILE 77 Ca -0.01 -1.45 -0.09 0.00 -0.26 0.00 0.00 60.65 58.83 1v32 s ILE 77 Cb -0.09 -2.61 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 1v32 s ILE 77 CO 0.02 0.00 0.12 -0.36 0.24 0.00 0.00 174.94 174.96 1v32 s PHE 78 N -3.09 3.24 0.56 1.37 0.40 -1.26 0.41 117.98 119.62 1v32 s PHE 78 Ca 0.26 0.04 0.49 0.00 -0.60 0.00 0.00 56.93 57.12 1v32 s PHE 78 Cb -0.01 -2.22 1.67 0.00 0.51 0.00 0.00 43.02 42.96 1v32 s PHE 78 CO 0.17 -0.03 1.55 0.00 0.70 0.00 0.00 175.22 177.61 1v32 h ARG 79 N 7.54 0.00 0.07 0.44 3.08 -1.78 1.17 114.38 124.91 1v32 h ARG 79 Ca -0.37 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.51 1v32 h ARG 79 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1v32 h ARG 79 CO 0.64 0.00 -0.84 0.52 -1.07 0.00 0.00 179.97 179.22 1v32 h MET 80 N 0.00 0.15 -1.11 0.04 2.86 -1.92 -3.30 114.93 111.65 1v32 h MET 80 Ca 0.90 -0.25 0.32 0.00 -2.06 0.00 0.00 59.70 58.62 1v32 h MET 80 Cb 3.73 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 35.43 1v32 h MET 80 CO -0.01 1.12 0.88 0.87 1.06 0.00 0.00 176.91 180.82 1v32 h LYS 81 N -0.64 0.00 -0.99 1.72 1.79 0.99 0.01 116.57 119.44 1v32 h LYS 81 Ca -0.19 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.43 1v32 h LYS 81 Cb 1.44 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.93 1v32 h LYS 81 CO 0.02 0.00 -0.41 0.28 -1.08 0.00 0.00 179.45 178.26 1v32 h VAL 82 N 0.00 0.00 -0.54 0.50 2.07 -1.39 1.60 116.25 118.49 1v32 h VAL 82 Ca 0.52 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.15 1v32 h VAL 82 Cb 2.27 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.94 1v32 h VAL 82 CO -0.01 0.00 -0.13 0.22 0.02 0.00 0.00 177.57 177.68 1v32 h TYR 83 N -0.00 -0.27 0.04 1.57 3.20 -1.23 0.90 116.97 121.18 1v32 h TYR 83 Ca 0.33 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.25 1v32 h TYR 83 Cb 0.58 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1v32 h TYR 83 CO -0.89 -0.23 -0.02 0.22 -1.64 0.00 0.00 178.16 175.60 1v32 h ASP 84 N 0.01 -0.05 -0.96 -2.11 3.58 0.22 0.18 116.42 117.28 1v32 h ASP 84 Ca 0.26 -0.33 0.31 0.00 0.42 0.00 0.00 57.03 57.69 1v32 h ASP 84 Cb 0.40 0.01 -0.16 0.00 1.72 0.00 0.00 39.33 41.30 1v32 h ASP 84 CO -0.55 0.31 0.35 -0.07 -2.88 0.00 0.00 179.24 176.40 1v32 h LEU 85 N -0.42 0.12 -0.07 2.28 3.38 0.29 1.16 115.31 122.05 1v32 h LEU 85 Ca -0.01 0.23 -0.24 0.00 0.09 0.00 0.00 57.88 57.95 1v32 h LEU 85 Cb 0.38 0.28 0.02 0.00 0.09 0.00 0.00 40.66 41.42 1v32 h LEU 85 CO 0.01 -0.26 -0.88 -0.07 0.09 0.00 0.00 178.44 177.33 1v32 h LEU 86 N 0.15 0.89 -1.99 1.67 3.38 -0.65 -3.09 115.31 115.67 1v32 h LEU 86 Ca 0.68 -0.69 0.45 0.00 0.09 0.00 0.00 57.88 58.40 1v32 h LEU 86 Cb 1.55 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 1v32 h LEU 86 CO -0.72 1.45 1.11 -0.08 0.09 0.00 0.00 178.44 180.29 1v32 h GLU 87 N 0.41 0.00 0.05 1.13 4.81 0.35 0.81 114.58 122.15 1v32 h GLU 87 Ca -0.09 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1v32 h GLU 87 Cb 1.53 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.91 1v32 h GLU 87 CO 0.18 0.00 -0.03 0.87 -0.73 0.00 0.00 179.01 179.30 1v32 h LYS 88 N 0.00 -0.07 -0.39 1.92 1.57 -1.26 -3.37 116.57 114.96 1v32 h LYS 88 Ca 0.73 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.55 1v32 h LYS 88 Cb 2.94 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 35.21 1v32 h LYS 88 CO -0.01 -0.05 -0.25 0.45 -0.57 0.00 0.00 179.45 179.02 1v32 h HIS 89 N -0.85 -0.81 -1.41 -1.35 3.86 -0.91 -3.40 115.15 110.27 1v32 h HIS 89 Ca -0.01 0.05 -0.65 0.00 -1.16 0.00 0.00 60.37 58.60 1v32 h HIS 89 Cb 0.05 0.41 0.11 0.00 1.06 0.00 0.00 27.41 29.04 1v32 h HIS 89 CO 0.00 -0.17 -0.33 0.66 0.86 0.00 0.00 177.93 178.96 1v32 n TYR 90 N -3.96 0.04 0.00 2.45 4.02 -0.10 -3.91 117.16 115.70 1v32 n TYR 90 Ca 0.00 0.90 0.00 0.00 -0.01 0.00 0.00 57.90 58.79 1v32 n TYR 90 Cb 0.12 -2.05 0.00 0.00 -0.02 0.00 0.00 39.34 37.39 1v32 n TYR 90 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1v32 n LYS 91 N 0.95 3.89 -1.75 -0.72 4.81 -0.60 -4.93 118.16 119.80 1v32 n LYS 91 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1v32 n LYS 91 Cb 0.27 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.32 1v32 n LYS 91 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1v32 n GLU 92 N 0.00 -3.59 -1.58 1.64 0.00 -1.26 -4.83 120.64 111.02 1v32 n GLU 92 Ca 0.00 2.74 -0.49 0.00 0.00 0.00 0.00 57.16 59.41 1v32 n GLU 92 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 31.44 28.27 1v32 n GLU 92 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1v32 n ASN 93 N 1.24 1.46 -3.98 4.31 3.02 -1.26 -4.94 115.26 115.12 1v32 n ASN 93 Ca 0.00 1.14 -0.31 0.00 -0.03 0.00 0.00 54.58 55.38 1v32 n ASN 93 Cb 0.00 -1.22 -0.15 0.00 -0.61 0.00 0.00 39.78 37.80 1v32 n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1v32 s GLN 94 N -0.24 1.39 0.17 3.52 -0.21 -1.26 -5.09 119.66 117.93 1v32 s GLN 94 Ca 0.75 -1.80 -0.30 0.00 0.02 0.00 0.00 55.36 54.03 1v32 s GLN 94 Cb -0.86 -3.04 -0.08 0.00 1.00 0.00 0.00 33.01 30.04 1v32 s GLN 94 CO 0.51 -0.95 1.18 0.16 -2.12 0.00 0.00 175.29 174.06 1v32 s ASP 95 N 0.95 7.12 -0.29 5.90 1.47 -1.26 -5.01 116.67 125.56 1v32 s ASP 95 Ca 0.11 2.18 -0.20 0.00 1.18 0.00 0.00 52.55 55.82 1v32 s ASP 95 Cb -0.19 -2.60 0.14 0.00 -0.34 0.00 0.00 42.92 39.93 1v32 s ASP 95 CO -0.10 -0.35 1.03 -0.44 0.68 0.00 0.00 175.17 176.00 1v32 s SER 96 N 0.17 -0.44 0.00 2.11 0.01 -1.26 -5.18 113.70 109.11 1v32 s SER 96 Ca 0.53 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.55 1v32 s SER 96 Cb -0.32 1.01 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1v32 s SER 96 CO 0.35 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1v32 n GLY 97 N 3.00 2.01 3.78 3.44 0.00 -1.26 -4.85 105.19 111.32 1v32 n GLY 97 Ca -0.16 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 1v32 n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v32 s PRO 98 N -1.60 0.89 0.19 1.61 0.04 -1.26 -5.11 135.00 129.75 1v32 s PRO 98 Ca 0.00 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1v32 s PRO 98 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1v32 s PRO 98 CO 0.00 -2.35 0.00 0.45 0.04 0.00 0.00 177.00 175.14 1v32 n SER 99 N -3.85 -2.57 -4.18 6.66 2.88 -1.26 -4.77 113.62 106.53 1v32 n SER 99 Ca 0.08 0.54 -0.39 0.00 -1.33 0.00 0.00 58.87 57.78 1v32 n SER 99 Cb 0.59 -1.11 -0.04 0.00 -0.75 0.00 0.00 64.21 62.90 1v32 n SER 99 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v32 s SER 100 N -4.17 6.41 0.00 -3.46 0.15 -1.26 -5.04 113.70 106.33 1v32 s SER 100 Ca 0.00 -3.70 0.20 0.00 0.70 0.00 0.00 55.95 53.15 1v32 s SER 100 Cb 0.00 -2.00 0.16 0.00 -1.71 0.00 0.00 66.02 62.47 1v32 s SER 100 CO 0.00 -0.21 1.13 0.61 1.20 0.00 0.00 173.24 175.97