#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v32 n SER 2 N 0.00 -7.99 -3.29 1.61 7.64 -1.26 -4.91 113.62 105.42 1v32 n SER 2 Ca 0.00 1.29 -0.17 0.00 1.01 0.00 0.00 58.87 61.00 1v32 n SER 2 Cb 0.00 -4.78 -0.07 0.00 -1.01 0.00 0.00 64.21 58.35 1v32 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v32 s SER 3 N -7.21 0.87 0.97 6.43 0.15 -1.26 -5.14 113.70 108.50 1v32 s SER 3 Ca 0.00 -1.92 -0.14 0.00 0.70 0.00 0.00 55.95 54.60 1v32 s SER 3 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1v32 s SER 3 CO 0.00 -0.21 0.15 0.61 1.20 0.00 0.00 173.24 174.99 1v32 n GLY 4 N 3.77 -2.53 2.69 9.45 0.00 -1.26 -5.00 105.19 112.31 1v32 n GLY 4 Ca 0.16 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 1v32 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v32 s SER 5 N -1.82 2.50 -0.29 1.61 0.01 -1.26 -5.09 113.70 109.37 1v32 s SER 5 Ca 0.53 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1v32 s SER 5 Cb -0.20 -0.43 0.18 0.00 0.21 0.00 0.00 66.02 65.78 1v32 s SER 5 CO 0.70 -0.31 0.54 -0.55 0.41 0.00 0.00 173.24 174.04 1v32 s SER 6 N 1.99 -1.02 0.00 2.44 0.15 -1.26 -5.09 113.70 110.91 1v32 s SER 6 Ca 0.01 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1v32 s SER 6 Cb -0.16 1.87 0.00 0.00 -1.71 0.00 0.00 66.02 66.02 1v32 s SER 6 CO -0.08 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1v32 n GLY 7 N 5.41 -0.29 2.81 9.45 0.00 -1.26 -5.08 105.19 116.24 1v32 n GLY 7 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1v32 n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1v32 n LYS 8 N -0.75 -2.99 -3.65 1.61 0.00 -1.26 -5.04 118.16 106.07 1v32 n LYS 8 Ca 0.00 2.45 -0.05 0.00 0.00 0.00 0.00 58.31 60.71 1v32 n LYS 8 Cb 0.00 -4.01 -0.07 0.00 0.00 0.00 0.00 35.03 30.95 1v32 n LYS 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1v32 s ARG 9 N -1.09 0.52 0.51 1.64 0.52 -1.26 -5.13 118.95 114.66 1v32 s ARG 9 Ca -0.08 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 1v32 s ARG 9 Cb 0.01 0.49 0.00 0.00 0.52 0.00 0.00 34.95 35.97 1v32 s ARG 9 CO 0.56 -0.20 0.00 0.34 0.02 0.00 0.00 175.30 176.02 1v32 n PHE 10 N 5.08 -3.53 -1.47 -0.53 7.35 -1.26 -4.69 117.46 118.41 1v32 n PHE 10 Ca -0.14 1.90 -0.50 0.00 -0.76 0.00 0.00 57.45 57.94 1v32 n PHE 10 Cb 0.52 -3.21 -0.04 0.00 0.35 0.00 0.00 39.48 37.10 1v32 n PHE 10 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1v32 n GLU 11 N -4.18 0.33 -1.24 -4.13 1.02 -1.26 -4.54 120.64 106.65 1v32 n GLU 11 Ca -0.06 0.12 0.14 0.00 -0.02 0.00 0.00 57.16 57.34 1v32 n GLU 11 Cb 0.63 -1.35 -0.06 0.00 -0.02 0.00 0.00 31.44 30.64 1v32 n GLU 11 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1v32 n PHE 12 N 0.61 -2.93 -3.40 -0.32 3.01 -1.26 -4.52 117.46 108.64 1v32 n PHE 12 Ca 0.17 1.57 -0.40 0.00 1.01 0.00 0.00 57.45 59.79 1v32 n PHE 12 Cb 0.22 -2.67 -0.03 0.00 -0.01 0.00 0.00 39.48 37.00 1v32 n PHE 12 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1v32 n VAL 13 N -3.87 4.01 0.00 -4.37 0.31 -1.04 -4.55 118.33 108.81 1v32 n VAL 13 Ca -0.05 -5.37 0.00 0.00 -0.01 0.00 0.00 64.34 58.92 1v32 n VAL 13 Cb 0.60 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 1v32 n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v32 n GLY 14 N 2.23 0.61 0.72 2.92 0.00 -1.26 -4.21 105.19 106.20 1v32 n GLY 14 Ca 0.24 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.59 1.61 4.27 -1.26 -5.03 117.44 113.44 1v32 n TRP 15 Ca 0.00 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.39 1v32 n TRP 15 Cb 0.00 0.06 -0.01 0.00 -1.36 0.00 0.00 31.31 29.99 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 -4.53 1.32 0.78 -1.67 0.00 -1.26 -1.70 107.32 100.25 1v32 s GLY 16 Ca 0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 44.72 43.51 1v32 s GLY 16 CO 0.00 -1.03 1.21 -0.45 0.00 0.00 0.00 173.10 172.82 1v32 s SER 17 N -4.03 3.80 0.24 1.64 0.15 -1.22 -2.51 113.70 111.76 1v32 s SER 17 Ca 0.38 2.36 -0.06 0.00 0.70 0.00 0.00 55.95 59.34 1v32 s SER 17 Cb -0.09 -2.59 0.42 0.00 -1.71 0.00 0.00 66.02 62.05 1v32 s SER 17 CO 0.33 -2.53 1.70 -0.09 1.20 0.00 0.00 173.24 173.86 1v32 h ARG 18 N -0.70 0.30 -0.16 5.44 2.43 -1.92 0.11 114.38 119.88 1v32 h ARG 18 Ca -0.47 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1v32 h ARG 18 Cb 1.30 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 1v32 h ARG 18 CO 0.47 0.20 -0.24 1.96 -1.51 0.00 0.00 179.97 180.86 1v32 h GLN 19 N 0.31 -0.17 0.12 0.20 4.20 -1.90 1.50 115.11 119.37 1v32 h GLN 19 Ca 0.39 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.13 1v32 h GLN 19 Cb 0.63 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 1v32 h GLN 19 CO -0.45 -0.11 -0.28 1.25 -0.67 0.00 0.00 178.83 178.56 1v32 h LEU 20 N -0.18 -0.80 -0.68 1.46 5.85 -1.73 -0.82 115.31 118.41 1v32 h LEU 20 Ca 0.03 0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.97 1v32 h LEU 20 Cb 0.26 0.30 -0.13 0.00 0.37 0.00 0.00 40.66 41.46 1v32 h LEU 20 CO -0.25 -0.37 -0.26 0.40 -0.34 0.00 0.00 178.44 177.62 1v32 h ILE 21 N -0.49 0.21 0.00 4.05 1.08 -0.17 0.23 117.51 122.42 1v32 h ILE 21 Ca 0.03 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 1v32 h ILE 21 Cb 0.52 0.21 -0.05 0.00 -3.07 0.00 0.00 36.82 34.43 1v32 h ILE 21 CO -0.16 0.00 -0.36 -0.33 -0.69 0.00 0.00 178.15 176.61 1v32 h GLU 22 N -0.07 -0.49 -0.74 2.37 4.39 0.29 1.47 114.58 121.79 1v32 h GLU 22 Ca 0.30 0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.18 1v32 h GLU 22 Cb 0.55 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 29.21 1v32 h GLU 22 CO -0.73 -0.33 0.27 0.35 -1.16 0.00 0.00 179.01 177.40 1v32 h PHE 23 N -0.51 0.45 -0.35 4.33 3.57 0.46 0.20 116.94 125.08 1v32 h PHE 23 Ca 0.06 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 1v32 h PHE 23 Cb 0.60 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1v32 h PHE 23 CO -0.37 0.03 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.38 1v32 h LEU 24 N 0.40 0.85 0.33 0.59 3.38 0.40 -2.55 115.31 118.70 1v32 h LEU 24 Ca 0.41 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1v32 h LEU 24 Cb 0.63 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1v32 h LEU 24 CO -0.42 1.12 -0.45 0.45 0.09 0.00 0.00 178.44 179.23 1v32 h HIS 25 N 0.59 -1.27 -0.24 1.13 3.86 0.40 0.42 115.15 120.05 1v32 h HIS 25 Ca 0.06 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1v32 h HIS 25 Cb 0.86 0.51 -0.06 0.00 1.06 0.00 0.00 27.41 29.78 1v32 h HIS 25 CO 0.07 -0.57 -0.45 0.77 0.86 0.00 0.00 177.93 178.61 1v32 h SER 26 N -0.81 -1.48 -1.34 2.45 0.02 -0.75 0.83 113.55 112.47 1v32 h SER 26 Ca -0.04 0.19 0.39 0.00 -0.84 0.00 0.00 61.79 61.49 1v32 h SER 26 Cb 0.73 0.60 -0.05 0.00 0.14 0.00 0.00 62.40 63.81 1v32 h SER 26 CO -0.12 -0.36 1.11 -0.07 -1.14 0.00 0.00 176.83 176.25 1v32 h LEU 27 N -0.39 0.00 0.00 5.07 3.38 -1.27 -3.43 115.31 118.67 1v32 h LEU 27 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1v32 h LEU 27 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1v32 h LEU 27 CO -0.43 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.71 1v32 n GLY 28 N -1.78 1.19 3.76 0.83 0.00 0.29 -5.06 105.19 104.41 1v32 n GLY 28 Ca 0.30 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.83 3.36 0.30 1.61 -0.14 0.14 -4.90 119.74 119.27 1v32 s LYS 29 Ca 0.00 2.00 -0.01 0.00 -1.36 0.00 0.00 55.97 56.61 1v32 s LYS 29 Cb 0.00 -2.27 0.47 0.00 -1.68 0.00 0.00 37.83 34.34 1v32 s LYS 29 CO 0.00 -0.95 1.92 0.22 -0.76 0.00 0.00 175.35 175.79 1v32 h ASP 30 N 1.61 0.84 -5.26 2.83 1.82 -1.95 -3.43 116.42 112.88 1v32 h ASP 30 Ca -0.50 -0.07 -0.19 0.00 -0.39 0.00 0.00 57.03 55.88 1v32 h ASP 30 Cb 1.28 -0.21 -0.08 0.00 0.68 0.00 0.00 39.33 41.00 1v32 h ASP 30 CO 0.58 0.68 -0.27 0.35 -1.61 0.00 0.00 179.24 178.97 1v32 n THR 31 N -4.37 -0.22 0.00 2.25 -2.24 -1.26 -4.82 114.28 103.62 1v32 n THR 31 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1v32 n THR 31 Cb 0.10 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1v32 n THR 31 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1v32 n SER 32 N -1.81 0.00 -4.91 3.42 2.88 -1.26 -4.89 113.62 107.05 1v32 n SER 32 Ca -0.00 0.46 -0.32 0.00 -1.33 0.00 0.00 58.87 57.68 1v32 n SER 32 Cb 0.51 -0.33 -0.04 0.00 -0.75 0.00 0.00 64.21 63.60 1v32 n SER 32 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1v32 s GLU 33 N -1.08 3.47 -0.42 -1.46 2.02 -1.26 -5.00 118.70 114.97 1v32 s GLU 33 Ca 0.00 -0.35 -0.43 0.00 0.02 0.00 0.00 54.97 54.21 1v32 s GLU 33 Cb 0.00 -3.02 -0.18 0.00 0.10 0.00 0.00 34.13 31.03 1v32 s GLU 33 CO 0.00 0.60 1.81 -0.12 0.02 0.00 0.00 175.26 177.57 1v32 n MET 34 N 0.38 0.45 -3.09 1.61 1.56 -1.26 -4.91 117.12 111.86 1v32 n MET 34 Ca -0.06 0.16 -0.27 0.00 -0.27 0.00 0.00 57.70 57.26 1v32 n MET 34 Cb 0.51 -1.78 -0.02 0.00 2.15 0.00 0.00 33.22 34.09 1v32 n MET 34 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1v32 s ILE 35 N 4.21 4.98 0.37 1.12 1.01 -1.26 -5.08 121.20 126.54 1v32 s ILE 35 Ca 1.07 0.06 -0.12 0.00 0.00 0.00 0.00 60.65 61.66 1v32 s ILE 35 Cb -1.31 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 37.29 1v32 s ILE 35 CO 0.71 -0.55 0.75 -0.44 0.00 0.00 0.00 174.94 175.41 1v32 s SER 36 N -3.61 6.61 0.20 3.58 0.01 -1.26 -4.96 113.70 114.27 1v32 s SER 36 Ca 0.45 1.17 -0.12 0.00 1.31 0.00 0.00 55.95 58.76 1v32 s SER 36 Cb -0.10 -2.33 0.25 0.00 0.21 0.00 0.00 66.02 64.04 1v32 s SER 36 CO 0.35 -0.32 1.69 0.03 0.41 0.00 0.00 173.24 175.40 1v32 h ARG 37 N 1.65 0.16 -0.61 12.44 -0.00 -1.97 -0.69 114.38 125.36 1v32 h ARG 37 Ca -0.47 -0.01 0.13 0.00 -0.50 0.00 0.00 59.98 59.12 1v32 h ARG 37 Cb 1.18 -0.04 -0.10 0.00 0.00 0.00 0.00 29.97 31.02 1v32 h ARG 37 CO 0.65 0.10 0.01 -0.92 0.00 0.00 0.00 179.97 179.81 1v32 h TYR 38 N 0.16 -0.02 0.01 3.04 5.03 -1.95 0.87 116.97 124.11 1v32 h TYR 38 Ca 0.29 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.64 1v32 h TYR 38 Cb 0.44 0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.82 1v32 h TYR 38 CO -0.30 -0.15 -0.01 -0.44 -1.32 0.00 0.00 178.16 175.93 1v32 h ASP 39 N 0.13 -0.04 -0.88 -2.11 5.19 -1.52 0.82 116.42 118.01 1v32 h ASP 39 Ca 0.32 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.83 1v32 h ASP 39 Cb 0.51 0.01 -0.12 0.00 0.18 0.00 0.00 39.33 39.91 1v32 h ASP 39 CO -0.51 -0.02 -0.52 0.58 -3.12 0.00 0.00 179.24 175.65 1v32 h VAL 40 N -0.02 0.01 -0.09 -1.35 2.07 -1.11 0.32 116.25 116.07 1v32 h VAL 40 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1v32 h VAL 40 Cb 0.02 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 29.76 1v32 h VAL 40 CO -0.01 0.00 -0.39 -1.28 0.02 0.00 0.00 177.57 175.91 1v32 h SER 41 N -0.07 -1.24 -0.89 0.57 0.87 -0.56 0.42 113.55 112.65 1v32 h SER 41 Ca 0.19 0.15 0.20 0.00 -1.23 0.00 0.00 61.79 61.10 1v32 h SER 41 Cb 0.49 0.48 -0.17 0.00 -0.44 0.00 0.00 62.40 62.77 1v32 h SER 41 CO -0.88 -0.35 -0.10 -0.78 -0.53 0.00 0.00 176.83 174.19 1v32 h ASP 42 N -0.42 -0.62 -0.72 6.23 3.58 0.25 1.18 116.42 125.90 1v32 h ASP 42 Ca 0.02 0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.74 1v32 h ASP 42 Cb 0.49 0.49 -0.04 0.00 1.72 0.00 0.00 39.33 41.99 1v32 h ASP 42 CO -0.31 -0.29 0.47 0.74 -2.88 0.00 0.00 179.24 176.98 1v32 h THR 43 N 0.03 1.16 0.32 2.25 2.02 0.13 0.01 112.91 118.83 1v32 h THR 43 Ca 0.48 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 1v32 h THR 43 Cb 0.84 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1v32 h THR 43 CO -0.87 0.17 -0.15 0.40 0.37 0.00 0.00 175.52 175.45 1v32 h ILE 44 N 0.96 0.69 -0.63 3.11 2.04 0.55 0.77 117.51 125.01 1v32 h ILE 44 Ca 0.27 -0.07 0.12 0.00 1.00 0.00 0.00 64.86 66.18 1v32 h ILE 44 Cb -0.08 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 36.64 1v32 h ILE 44 CO -0.07 0.02 0.15 0.00 0.00 0.00 0.00 178.15 178.24 1v32 h ALA 45 N 0.21 0.76 0.29 1.87 0.00 0.08 0.76 119.26 123.24 1v32 h ALA 45 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1v32 h ALA 45 Cb 0.35 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1v32 h ALA 45 CO 0.07 -0.30 -0.14 -0.22 0.00 0.00 0.00 179.25 178.66 1v32 h LYS 46 N 0.28 -0.38 -0.64 0.00 3.64 -0.61 -2.81 116.57 116.05 1v32 h LYS 46 Ca 0.33 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.86 1v32 h LYS 46 Cb 0.50 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.32 1v32 h LYS 46 CO -0.41 -0.13 0.18 -0.92 -2.27 0.00 0.00 179.45 175.89 1v32 h TYR 47 N -0.58 0.29 -0.43 1.91 3.20 0.16 0.65 116.97 122.16 1v32 h TYR 47 Ca -0.04 0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1v32 h TYR 47 Cb 0.43 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.57 1v32 h TYR 47 CO -0.01 0.00 -0.33 0.82 -1.64 0.00 0.00 178.16 177.01 1v32 h ILE 48 N 0.31 0.22 -0.32 1.81 2.04 0.64 0.20 117.51 122.42 1v32 h ILE 48 Ca 0.34 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 66.08 1v32 h ILE 48 Cb 0.50 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1v32 h ILE 48 CO -0.40 0.00 -0.29 -1.28 0.00 0.00 0.00 178.15 176.18 1v32 h SER 49 N -0.24 0.68 0.04 1.72 0.87 -0.99 1.44 113.55 117.07 1v32 h SER 49 Ca 0.18 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1v32 h SER 49 Cb 0.54 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 1v32 h SER 49 CO -0.56 0.93 -0.51 0.50 -0.53 0.00 0.00 176.83 176.66 1v32 h LYS 50 N 0.56 -0.64 0.00 2.24 1.63 0.29 -3.18 116.57 117.47 1v32 h LYS 50 Ca 0.07 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1v32 h LYS 50 Cb 0.79 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1v32 h LYS 50 CO 0.06 -0.43 -0.00 0.93 -3.45 0.00 0.00 179.45 176.57 1v32 h GLU 51 N -0.67 -0.00 0.00 1.90 4.39 -0.73 -3.49 114.58 115.98 1v32 h GLU 51 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1v32 h GLU 51 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1v32 h GLU 51 CO -0.32 0.97 0.00 0.41 -1.16 0.00 0.00 179.01 178.91 1v32 n GLY 52 N 1.53 0.67 0.16 -3.84 0.00 0.46 -5.03 105.19 99.14 1v32 n GLY 52 Ca -0.10 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.55 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 -9.05 0.99 4.07 -0.80 -3.47 115.31 107.05 1v32 h LEU 53 Ca 0.00 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.41 1v32 h LEU 53 Cb 0.00 0.00 0.24 0.00 1.08 0.00 0.00 40.66 41.98 1v32 h LEU 53 CO 0.00 0.34 -1.80 0.18 -1.08 0.00 0.00 178.44 176.08 1v32 n LEU 54 N -3.14 -5.67 -4.53 1.67 4.77 -1.26 -0.48 117.00 108.37 1v32 n LEU 54 Ca 0.02 0.19 -0.34 0.00 -0.03 0.00 0.00 56.01 55.85 1v32 n LEU 54 Cb 0.68 -0.78 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 1v32 n LEU 54 CO 0.39 -5.87 -0.40 -0.62 -1.33 0.00 0.00 177.39 169.56 1v32 s ASP 55 N -1.06 4.48 0.35 -1.43 2.15 -1.23 -4.51 116.67 115.41 1v32 s ASP 55 Ca 0.41 -0.10 0.26 0.00 0.43 0.00 0.00 52.55 53.55 1v32 s ASP 55 Cb -0.18 -1.25 0.89 0.00 -0.30 0.00 0.00 42.92 42.08 1v32 s ASP 55 CO 0.82 0.31 1.77 1.55 -0.17 0.00 0.00 175.17 179.45 1v32 h PRO 56 N 5.64 0.00 0.00 4.34 0.13 -1.95 -2.10 132.00 138.06 1v32 h PRO 56 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1v32 h PRO 56 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1v32 h PRO 56 CO 0.54 0.00 -0.65 0.45 -0.23 0.00 0.00 178.00 178.11 1v32 n SER 57 N -2.61 0.64 0.00 1.44 2.88 -1.26 -4.80 113.62 109.90 1v32 n SER 57 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1v32 n SER 57 Cb 0.37 0.26 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1v32 n SER 57 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1v32 n ASN 58 N -1.96 0.00 -0.09 -3.46 5.15 -0.99 -5.02 115.26 108.89 1v32 n ASN 58 Ca 0.04 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.10 1v32 n ASN 58 Cb 0.42 0.00 0.44 0.00 -0.53 0.00 0.00 39.78 40.11 1v32 n ASN 58 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1v32 h LYS 59 N 0.00 0.53 -0.47 1.20 6.56 -1.70 0.13 116.57 122.82 1v32 h LYS 59 Ca 0.00 -0.03 0.14 0.00 -1.06 0.00 0.00 60.65 59.70 1v32 h LYS 59 Cb 0.00 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 1v32 h LYS 59 CO 0.00 0.35 0.66 0.87 -2.06 0.00 0.00 179.45 179.27 1v32 h LYS 60 N 0.54 0.00 -6.57 3.15 1.79 -1.95 -3.40 116.57 110.13 1v32 h LYS 60 Ca 0.26 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.30 1v32 h LYS 60 Cb 0.33 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.00 1v32 h LYS 60 CO -0.08 0.00 -0.18 0.15 -1.08 0.00 0.00 179.45 178.26 1v32 s LYS 61 N -4.44 2.69 -0.18 3.15 1.02 0.47 -2.40 119.74 120.06 1v32 s LYS 61 Ca -0.03 -1.14 -0.04 0.00 0.02 0.00 0.00 55.97 54.77 1v32 s LYS 61 Cb 0.13 -2.67 0.09 0.00 -0.52 0.00 0.00 37.83 34.85 1v32 s LYS 61 CO 0.44 -0.45 0.25 0.08 -0.92 0.00 0.00 175.35 174.75 1v32 s VAL 62 N -2.50 -0.38 0.02 3.17 1.01 0.22 -3.54 120.40 118.41 1v32 s VAL 62 Ca 0.56 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1v32 s VAL 62 Cb -0.10 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1v32 s VAL 62 CO 0.35 -0.07 1.05 0.68 0.00 0.00 0.00 175.10 177.12 1v32 s VAL 63 N 2.38 4.57 0.32 2.92 -7.23 0.37 -0.32 120.40 123.41 1v32 s VAL 63 Ca 0.05 1.85 -0.28 0.00 -1.81 0.00 0.00 61.98 61.80 1v32 s VAL 63 Cb -0.14 -4.19 -0.09 0.00 0.56 0.00 0.00 36.38 32.52 1v32 s VAL 63 CO -0.11 0.15 1.10 0.00 -0.31 0.00 0.00 175.10 175.93 1v32 n ASP 65 N 0.78 0.86 0.13 0.00 2.03 -1.26 -4.89 116.55 114.19 1v32 n ASP 65 Ca 0.01 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1v32 n ASP 65 Cb 0.46 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 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 -3.37 0.00 -0.20 -0.67 0.00 -1.26 -4.82 118.16 107.84 1v32 n LYS 66 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.20 1v32 n LYS 66 Cb 0.22 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.30 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 0.69 -0.68 1.64 3.08 -1.97 0.25 114.38 117.40 1v32 h ARG 67 Ca 0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1v32 h ARG 67 Cb 0.00 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 1v32 h ARG 67 CO 0.00 0.46 0.28 -0.07 -1.07 0.00 0.00 179.97 179.56 1v32 h LEU 68 N 0.71 0.93 0.66 3.04 3.38 -1.95 0.77 115.31 122.86 1v32 h LEU 68 Ca 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1v32 h LEU 68 Cb 0.00 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.51 1v32 h LEU 68 CO -0.09 0.85 -0.32 0.58 0.09 0.00 0.00 178.44 179.55 1v32 h VAL 69 N 0.96 0.33 0.00 1.22 2.07 -1.55 1.03 116.25 120.32 1v32 h VAL 69 Ca 0.23 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1v32 h VAL 69 Cb 0.20 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1v32 h VAL 69 CO -0.02 0.01 0.02 -0.07 0.02 0.00 0.00 177.57 177.54 1v32 h LEU 70 N -0.94 0.00 0.00 2.57 3.38 -0.39 1.41 115.31 121.34 1v32 h LEU 70 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1v32 h LEU 70 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1v32 h LEU 70 CO 0.15 0.00 -0.08 0.25 0.09 0.00 0.00 178.44 178.85 1v32 h LEU 71 N 0.00 0.00 0.00 1.67 5.85 0.39 -3.45 115.31 119.78 1v32 h LEU 71 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1v32 h LEU 71 Cb 0.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1v32 h LEU 71 CO 0.00 0.19 -0.84 -0.26 -0.34 0.00 0.00 178.44 177.18 1v32 h PHE 72 N -0.30 0.00 0.00 1.25 0.04 0.13 -3.45 116.94 114.61 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 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1v32 h PHE 72 CO -0.03 0.80 0.00 0.41 -0.60 0.00 0.00 178.31 178.89 1v32 n GLY 73 N 1.53 1.38 3.75 -1.45 0.00 0.48 -5.00 105.19 105.88 1v32 n GLY 73 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 3.58 -0.09 2.61 -4.23 -1.26 -4.99 115.64 109.26 1v32 s THR 74 Ca 0.00 -1.62 0.08 0.00 -1.18 0.00 0.00 61.69 58.97 1v32 s THR 74 Cb 0.00 -3.09 -0.24 0.00 1.34 0.00 0.00 72.50 70.52 1v32 s THR 74 CO 0.00 -0.27 0.48 -1.14 -0.54 0.00 0.00 174.62 173.14 1v32 n ARG 75 N -1.13 0.67 -4.12 3.99 3.00 -1.26 -4.35 116.66 113.45 1v32 n ARG 75 Ca -0.05 0.24 -0.15 0.00 -0.00 0.00 0.00 57.85 57.89 1v32 n ARG 75 Cb 0.60 -1.73 -0.12 0.00 0.00 0.00 0.00 32.46 31.21 1v32 n ARG 75 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1v32 s THR 76 N -2.57 0.82 0.00 5.15 -4.23 -1.26 0.19 115.64 113.74 1v32 s THR 76 Ca -0.11 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1v32 s THR 76 Cb 0.07 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 73.03 1v32 s THR 76 CO 0.80 -0.33 0.00 2.30 -0.54 0.00 0.00 174.62 176.85 1v32 n ILE 77 N 1.29 0.00 -4.15 2.99 -5.35 0.56 -4.90 119.36 109.80 1v32 n ILE 77 Ca -0.21 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 61.97 1v32 n ILE 77 Cb 0.55 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.28 1v32 n ILE 77 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1v32 s PHE 78 N -5.23 2.16 0.55 4.28 0.40 -1.26 0.72 117.98 119.59 1v32 s PHE 78 Ca 0.00 -1.17 0.48 0.00 -0.60 0.00 0.00 56.93 55.64 1v32 s PHE 78 Cb 0.00 -1.57 1.65 0.00 0.51 0.00 0.00 43.02 43.61 1v32 s PHE 78 CO 0.00 -0.63 1.51 -2.13 0.70 0.00 0.00 175.22 174.67 1v32 n ARG 79 N 4.60 0.00 -0.06 0.44 0.63 -1.01 0.29 116.66 121.55 1v32 n ARG 79 Ca -0.18 1.05 -0.06 0.00 -0.92 0.00 0.00 57.85 57.75 1v32 n ARG 79 Cb 0.50 -2.45 -0.04 0.00 0.45 0.00 0.00 32.46 30.92 1v32 n ARG 79 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 1v32 h MET 80 N 0.00 0.00 -1.43 -0.14 2.86 -1.94 -3.31 114.93 110.98 1v32 h MET 80 Ca 0.90 0.00 0.41 0.00 -2.06 0.00 0.00 59.70 58.95 1v32 h MET 80 Cb 3.66 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 35.26 1v32 h MET 80 CO -0.01 0.34 1.19 0.87 1.06 0.00 0.00 176.91 180.35 1v32 h LYS 81 N -1.00 0.00 -0.36 1.72 1.79 -0.54 -0.74 116.57 117.45 1v32 h LYS 81 Ca -0.03 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1v32 h LYS 81 Cb 0.45 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 1v32 h LYS 81 CO -0.02 0.00 -0.21 0.28 -1.08 0.00 0.00 179.45 178.42 1v32 n VAL 82 N -3.75 -0.24 -0.27 0.50 0.31 -0.40 0.20 118.33 114.68 1v32 n VAL 82 Ca 0.32 1.76 -0.09 0.00 -0.01 0.00 0.00 64.34 66.32 1v32 n VAL 82 Cb 1.62 -2.26 -0.08 0.00 -0.91 0.00 0.00 33.84 32.22 1v32 n VAL 82 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1v32 h TYR 83 N 0.00 -1.43 0.24 3.52 5.03 -1.36 0.10 116.97 123.08 1v32 h TYR 83 Ca 0.06 0.09 0.01 0.00 2.58 0.00 0.00 58.73 61.47 1v32 h TYR 83 Cb 0.15 0.71 -0.04 0.00 1.55 0.00 0.00 36.73 39.10 1v32 h TYR 83 CO -0.93 -0.31 -0.46 0.22 -1.32 0.00 0.00 178.16 175.37 1v32 h ASP 84 N -0.08 -1.32 -1.50 -2.11 3.58 -1.22 0.85 116.42 114.63 1v32 h ASP 84 Ca 0.11 0.13 0.49 0.00 0.42 0.00 0.00 57.03 58.17 1v32 h ASP 84 Cb 0.35 0.47 -0.12 0.00 1.72 0.00 0.00 39.33 41.76 1v32 h ASP 84 CO -0.66 -0.55 1.00 0.18 -2.88 0.00 0.00 179.24 176.33 1v32 n LEU 85 N -5.50 0.15 -4.54 2.28 4.77 0.52 -3.23 117.00 111.45 1v32 n LEU 85 Ca -0.09 1.23 -0.41 0.00 -0.03 0.00 0.00 56.01 56.71 1v32 n LEU 85 Cb 0.41 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1v32 n LEU 85 CO 0.21 -1.31 1.23 -0.76 -1.33 0.00 0.00 177.39 175.43 1v32 s LEU 86 N -8.83 3.56 0.17 2.23 1.43 0.29 -4.32 118.68 113.21 1v32 s LEU 86 Ca -0.06 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 1v32 s LEU 86 Cb 0.29 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1v32 s LEU 86 CO 0.81 -1.61 0.00 1.21 0.23 0.00 0.00 176.35 176.99 1v32 n GLU 87 N 8.80 0.00 0.05 1.70 4.07 -1.20 -4.86 120.64 129.21 1v32 n GLU 87 Ca 0.16 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.33 1v32 n GLU 87 Cb 0.49 0.00 0.33 0.00 -0.06 0.00 0.00 31.44 32.20 1v32 n GLU 87 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1v32 n LYS 88 N -2.90 0.07 -1.55 5.31 2.85 -1.26 -2.40 118.16 118.28 1v32 n LYS 88 Ca 0.00 0.39 -0.35 0.00 -1.05 0.00 0.00 58.31 57.31 1v32 n LYS 88 Cb 0.00 -1.65 0.05 0.00 -0.65 0.00 0.00 35.03 32.77 1v32 n LYS 88 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1v32 n HIS 89 N -1.78 2.81 -3.64 5.58 8.25 -1.26 -4.59 115.22 120.60 1v32 n HIS 89 Ca 0.02 -2.54 -0.10 0.00 -0.26 0.00 0.00 57.72 54.84 1v32 n HIS 89 Cb 0.14 -1.30 -0.07 0.00 1.12 0.00 0.00 29.99 29.88 1v32 n HIS 89 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1v32 s TYR 90 N -3.53 -0.85 -2.02 4.41 2.02 -1.01 -3.43 117.35 112.94 1v32 s TYR 90 Ca 0.56 1.89 0.24 0.00 -0.37 0.00 0.00 57.07 59.39 1v32 s TYR 90 Cb 0.44 0.42 1.42 0.00 -0.40 0.00 0.00 41.96 43.84 1v32 s TYR 90 CO -0.20 -0.41 1.92 1.17 -1.57 0.00 0.00 175.55 176.45 1v32 n LYS 91 N 3.29 1.05 0.00 -0.62 4.81 -0.69 -4.78 118.16 121.22 1v32 n LYS 91 Ca -0.16 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.21 1v32 n LYS 91 Cb 0.57 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 34.23 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 -0.81 3.17 -1.63 1.64 2.13 -1.26 -4.99 120.64 118.89 1v32 n GLU 92 Ca 0.18 0.00 -0.51 0.00 0.66 0.00 0.00 57.16 57.49 1v32 n GLU 92 Cb 0.10 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.75 1v32 n GLU 92 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1v32 n ASN 93 N 0.00 2.14 -2.98 4.31 4.13 -1.26 -4.93 115.26 116.67 1v32 n ASN 93 Ca 0.00 1.10 -0.11 0.00 1.68 0.00 0.00 54.58 57.24 1v32 n ASN 93 Cb 0.00 -1.24 0.00 0.00 -1.54 0.00 0.00 39.78 37.00 1v32 n ASN 93 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1v32 s GLN 94 N 1.22 2.15 -0.30 3.52 -2.07 -1.26 -4.94 119.66 117.98 1v32 s GLN 94 Ca 0.86 -1.59 -0.16 0.00 -1.82 0.00 0.00 55.36 52.65 1v32 s GLN 94 Cb -0.90 0.56 0.17 0.00 -1.09 0.00 0.00 33.01 31.74 1v32 s GLN 94 CO 0.48 -0.97 1.02 0.34 -1.32 0.00 0.00 175.29 174.85 1v32 s ASP 95 N -3.15 -0.51 -0.33 12.60 2.15 -1.26 -5.08 116.67 121.10 1v32 s ASP 95 Ca 0.21 0.71 -0.25 0.00 0.43 0.00 0.00 52.55 53.65 1v32 s ASP 95 Cb -0.03 1.55 0.01 0.00 -0.30 0.00 0.00 42.92 44.15 1v32 s ASP 95 CO 0.15 -0.10 0.87 -0.44 -0.17 0.00 0.00 175.17 175.49 1v32 s SER 96 N 2.31 6.71 0.00 -0.34 0.01 -1.26 -4.81 113.70 116.32 1v32 s SER 96 Ca -0.03 0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1v32 s SER 96 Cb -0.05 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1v32 s SER 96 CO -0.17 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.36 1v32 n GLY 97 N 4.20 0.88 0.08 3.44 0.00 -1.26 -4.99 105.19 107.54 1v32 n GLY 97 Ca 0.06 -2.11 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 1v32 n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v32 h PRO 98 N 0.00 0.12 -4.99 1.61 0.13 -2.06 -3.52 132.00 123.29 1v32 h PRO 98 Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1v32 h PRO 98 Cb 0.00 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 31.09 1v32 h PRO 98 CO 0.00 0.83 -1.08 0.43 -0.23 0.00 0.00 178.00 177.96 1v32 n SER 99 N -4.60 -4.10 -4.32 1.44 7.64 -1.26 -4.88 113.62 103.55 1v32 n SER 99 Ca -0.09 1.44 -0.34 0.00 1.01 0.00 0.00 58.87 60.89 1v32 n SER 99 Cb 0.44 -4.46 0.10 0.00 -1.01 0.00 0.00 64.21 59.28 1v32 n SER 99 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1v32 n SER 100 N 1.90 -3.00 -0.37 6.43 7.64 -1.26 -5.27 113.62 119.70 1v32 n SER 100 Ca -0.21 0.32 0.14 0.00 1.01 0.00 0.00 58.87 60.14 1v32 n SER 100 Cb 0.32 -1.09 0.63 0.00 -1.01 0.00 0.00 64.21 63.05 1v32 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64