#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 0.15 -0.29 1.61 0.01 -1.26 -5.13 113.70 108.79 1v32 s SER 2 Ca 0.00 0.34 -0.13 0.00 1.31 0.00 0.00 55.95 57.47 1v32 s SER 2 Cb 0.00 0.25 0.11 0.00 0.21 0.00 0.00 66.02 66.59 1v32 s SER 2 CO 0.00 -0.18 0.69 -0.55 0.41 0.00 0.00 173.24 173.61 1v32 s SER 3 N 1.57 -1.01 0.20 2.44 0.15 -1.26 -5.17 113.70 110.62 1v32 s SER 3 Ca -0.05 1.49 0.06 0.00 0.70 0.00 0.00 55.95 58.16 1v32 s SER 3 Cb -0.12 1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 65.99 1v32 s SER 3 CO -0.06 -0.22 0.12 -0.83 1.20 0.00 0.00 173.24 173.44 1v32 s GLY 4 N 2.27 1.62 -0.16 9.45 0.00 -1.26 -4.87 107.32 114.36 1v32 s GLY 4 Ca -0.08 -1.35 -0.08 0.00 0.00 0.00 0.00 44.72 43.21 1v32 s GLY 4 CO -0.19 -1.37 0.16 -1.26 0.00 0.00 0.00 173.10 170.44 1v32 n SER 5 N -0.61 -2.96 -4.30 1.64 2.88 -1.26 -4.92 113.62 104.09 1v32 n SER 5 Ca -0.08 1.26 -0.43 0.00 -1.33 0.00 0.00 58.87 58.28 1v32 n SER 5 Cb 0.56 -4.44 -0.08 0.00 -0.75 0.00 0.00 64.21 59.50 1v32 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v32 s SER 6 N -0.69 5.95 -0.30 -3.46 1.04 -1.26 -4.97 113.70 110.01 1v32 s SER 6 Ca -0.19 -1.62 -0.16 0.00 0.48 0.00 0.00 55.95 54.46 1v32 s SER 6 Cb 0.01 -2.11 0.18 0.00 0.10 0.00 0.00 66.02 64.20 1v32 s SER 6 CO 0.62 -0.69 1.14 -0.83 0.98 0.00 0.00 173.24 174.46 1v32 s GLY 7 N 2.78 -0.10 -0.57 7.32 0.00 -1.26 -5.11 107.32 110.37 1v32 s GLY 7 Ca 0.04 3.12 -0.03 0.00 0.00 0.00 0.00 44.72 47.85 1v32 s GLY 7 CO 0.03 3.67 0.39 0.54 0.00 0.00 0.00 173.10 177.72 1v32 s LYS 8 N 2.67 2.45 0.61 2.90 -0.14 -1.26 -5.08 119.74 121.89 1v32 s LYS 8 Ca -0.03 -2.34 -0.14 0.00 -1.36 0.00 0.00 55.97 52.10 1v32 s LYS 8 Cb -0.07 -3.71 -0.03 0.00 -1.68 0.00 0.00 37.83 32.34 1v32 s LYS 8 CO -0.12 -1.15 1.04 1.03 -0.76 0.00 0.00 175.35 175.39 1v32 s ARG 9 N 0.27 3.34 0.33 1.68 0.52 -1.26 -5.08 118.95 118.75 1v32 s ARG 9 Ca 0.15 1.04 0.04 0.00 -0.52 0.00 0.00 55.73 56.43 1v32 s ARG 9 Cb -0.21 -2.04 -0.06 0.00 0.52 0.00 0.00 34.95 33.16 1v32 s ARG 9 CO -0.04 -0.78 0.07 0.12 0.02 0.00 0.00 175.30 174.69 1v32 s PHE 10 N -2.74 1.94 -0.05 -0.53 5.36 -1.26 -4.97 117.98 115.73 1v32 s PHE 10 Ca 0.60 -0.99 -0.01 0.00 -0.96 0.00 0.00 56.93 55.57 1v32 s PHE 10 Cb -0.14 -1.27 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 1v32 s PHE 10 CO 0.43 -0.02 0.01 -1.91 -1.46 0.00 0.00 175.22 172.27 1v32 n GLU 11 N -0.71 -1.10 -1.45 10.12 2.13 -1.26 -4.70 120.64 123.67 1v32 n GLU 11 Ca -0.03 1.25 0.10 0.00 0.66 0.00 0.00 57.16 59.15 1v32 n GLU 11 Cb 0.66 -1.68 -0.06 0.00 0.27 0.00 0.00 31.44 30.63 1v32 n GLU 11 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1v32 n PHE 12 N 1.51 -3.74 -3.23 4.31 3.01 -1.26 -4.61 117.46 113.46 1v32 n PHE 12 Ca -0.02 2.05 -0.46 0.00 1.01 0.00 0.00 57.45 60.04 1v32 n PHE 12 Cb 0.34 -3.30 -0.01 0.00 -0.01 0.00 0.00 39.48 36.49 1v32 n PHE 12 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1v32 s VAL 13 N -4.75 5.51 0.00 -4.37 1.01 -0.59 -4.83 120.40 112.38 1v32 s VAL 13 Ca 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 61.98 59.40 1v32 s VAL 13 Cb 0.00 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1v32 s VAL 13 CO 0.00 -1.21 0.00 0.61 0.00 0.00 0.00 175.10 174.50 1v32 n GLY 14 N 3.92 1.64 0.66 4.51 0.00 -1.26 -3.67 105.19 110.99 1v32 n GLY 14 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.28 1.61 4.27 -1.26 -5.06 117.44 113.71 1v32 n TRP 15 Ca 0.00 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.42 1v32 n TRP 15 Cb 0.00 0.05 0.00 0.00 -1.36 0.00 0.00 31.31 30.00 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 -4.50 1.65 0.68 -1.67 0.00 -1.24 -2.50 107.32 99.74 1v32 s GLY 16 Ca 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 44.72 43.15 1v32 s GLY 16 CO 0.00 -1.30 1.12 -1.35 0.00 0.00 0.00 173.10 171.58 1v32 s SER 17 N -4.22 4.93 0.24 1.64 1.04 -1.24 -1.54 113.70 114.55 1v32 s SER 17 Ca 0.48 2.05 -0.04 0.00 0.48 0.00 0.00 55.95 58.91 1v32 s SER 17 Cb -0.10 -2.56 0.45 0.00 0.10 0.00 0.00 66.02 63.91 1v32 s SER 17 CO 0.33 -1.75 1.73 -0.09 0.98 0.00 0.00 173.24 174.43 1v32 h ARG 18 N -0.07 0.43 -0.01 4.02 2.43 -1.92 0.33 114.38 119.58 1v32 h ARG 18 Ca -0.47 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1v32 h ARG 18 Cb 1.25 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 1v32 h ARG 18 CO 0.53 0.28 -0.29 1.96 -1.51 0.00 0.00 179.97 180.95 1v32 h GLN 19 N 0.44 -0.34 0.20 0.20 4.20 -1.91 0.93 115.11 118.84 1v32 h GLN 19 Ca 0.41 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.15 1v32 h GLN 19 Cb 0.61 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1v32 h GLN 19 CO -0.40 -0.22 -0.26 1.25 -0.67 0.00 0.00 178.83 178.53 1v32 h LEU 20 N -0.35 -0.70 -0.71 1.46 5.85 -1.77 -0.65 115.31 118.43 1v32 h LEU 20 Ca 0.01 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.90 1v32 h LEU 20 Cb 0.38 0.25 -0.12 0.00 0.37 0.00 0.00 40.66 41.54 1v32 h LEU 20 CO -0.20 -0.36 -0.42 0.40 -0.34 0.00 0.00 178.44 177.52 1v32 h ILE 21 N -0.51 0.08 0.08 4.05 1.08 -0.01 0.24 117.51 122.51 1v32 h ILE 21 Ca 0.01 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1v32 h ILE 21 Cb 0.50 0.08 -0.05 0.00 -3.07 0.00 0.00 36.82 34.27 1v32 h ILE 21 CO -0.09 0.00 -0.45 -0.33 -0.69 0.00 0.00 178.15 176.59 1v32 h GLU 22 N -0.15 -0.64 -1.03 2.37 5.08 0.14 1.23 114.58 121.59 1v32 h GLU 22 Ca 0.22 0.04 0.28 0.00 -1.00 0.00 0.00 59.36 58.91 1v32 h GLU 22 Cb 0.56 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.82 1v32 h GLU 22 CO -0.77 -0.42 0.62 0.35 -1.00 0.00 0.00 179.01 177.78 1v32 h PHE 23 N -0.66 0.91 0.03 4.33 3.57 0.52 0.58 116.94 126.23 1v32 h PHE 23 Ca 0.02 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.29 1v32 h PHE 23 Cb 0.70 -0.25 0.02 0.00 2.79 0.00 0.00 35.95 39.20 1v32 h PHE 23 CO -0.41 -0.01 -1.08 -0.07 -2.23 0.00 0.00 178.31 174.51 1v32 h LEU 24 N 0.46 0.79 -0.38 0.59 3.38 0.99 -2.75 115.31 118.39 1v32 h LEU 24 Ca 0.67 -0.66 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1v32 h LEU 24 Cb 1.46 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1v32 h LEU 24 CO -0.47 1.47 0.11 0.45 0.09 0.00 0.00 178.44 180.08 1v32 h HIS 25 N 0.31 0.19 0.70 1.13 3.86 0.65 0.71 115.15 122.71 1v32 h HIS 25 Ca -0.13 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 1v32 h HIS 25 Cb 1.73 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 30.18 1v32 h HIS 25 CO 0.09 0.06 -0.34 0.77 0.86 0.00 0.00 177.93 179.37 1v32 h SER 26 N 0.25 -0.81 -1.17 2.45 0.02 -0.64 -1.81 113.55 111.84 1v32 h SER 26 Ca 0.18 0.03 0.34 0.00 -0.84 0.00 0.00 61.79 61.49 1v32 h SER 26 Cb 0.18 0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1v32 h SER 26 CO -0.20 -0.58 1.05 -0.07 -1.14 0.00 0.00 176.83 175.89 1v32 h LEU 27 N -0.95 0.00 0.00 5.07 3.38 -1.32 -3.43 115.31 118.06 1v32 h LEU 27 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1v32 h LEU 27 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1v32 h LEU 27 CO 0.16 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1v32 n GLY 28 N -1.73 0.96 3.57 0.83 0.00 -0.19 -5.03 105.19 103.59 1v32 n GLY 28 Ca 0.26 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.17 3.23 -0.36 1.61 -0.14 0.23 -4.92 119.74 119.22 1v32 s LYS 29 Ca 0.00 0.24 -0.35 0.00 -1.36 0.00 0.00 55.97 54.50 1v32 s LYS 29 Cb 0.00 -4.15 -0.11 0.00 -1.68 0.00 0.00 37.83 31.88 1v32 s LYS 29 CO 0.00 -2.05 2.20 -3.47 -0.76 0.00 0.00 175.35 171.27 1v32 n ASP 30 N 9.71 2.09 -2.57 2.83 -0.08 -1.26 -4.32 116.55 122.95 1v32 n ASP 30 Ca 0.10 0.39 -0.29 0.00 -1.51 0.00 0.00 54.79 53.48 1v32 n ASP 30 Cb 0.49 -1.26 -0.04 0.00 2.34 0.00 0.00 41.12 42.65 1v32 n ASP 30 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1v32 n THR 31 N 7.23 3.39 -0.06 5.18 -2.24 -1.26 -4.49 114.28 122.02 1v32 n THR 31 Ca 0.42 -3.20 -0.08 0.00 -2.27 0.00 0.00 64.05 58.91 1v32 n THR 31 Cb 0.23 -1.55 -0.07 0.00 -2.10 0.00 0.00 70.33 66.85 1v32 n THR 31 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1v32 h SER 32 N 3.02 0.00 -3.81 3.42 0.02 -2.03 -3.46 113.55 110.71 1v32 h SER 32 Ca 0.42 -0.47 -0.68 0.00 -0.84 0.00 0.00 61.79 60.22 1v32 h SER 32 Cb 0.61 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.91 1v32 h SER 32 CO 0.96 0.82 -0.77 -1.61 -1.14 0.00 0.00 176.83 175.10 1v32 s GLU 33 N -1.96 2.77 -0.39 3.45 2.02 -1.26 -5.05 118.70 118.27 1v32 s GLU 33 Ca -0.12 -0.69 -0.43 0.00 0.02 0.00 0.00 54.97 53.75 1v32 s GLU 33 Cb -0.01 -2.46 -0.18 0.00 0.10 0.00 0.00 34.13 31.59 1v32 s GLU 33 CO 0.36 0.51 1.71 -0.12 0.02 0.00 0.00 175.26 177.74 1v32 n MET 34 N 2.66 0.60 -3.21 1.61 0.00 -1.26 -4.92 117.12 112.61 1v32 n MET 34 Ca -0.17 0.22 -0.27 0.00 -0.00 0.00 0.00 57.70 57.47 1v32 n MET 34 Cb 0.52 -1.83 -0.02 0.00 0.00 0.00 0.00 33.22 31.90 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 3.49 5.01 0.35 1.12 1.01 -1.26 -5.07 121.20 125.86 1v32 s ILE 35 Ca 1.02 -0.01 -0.25 0.00 0.00 0.00 0.00 60.65 61.42 1v32 s ILE 35 Cb -1.27 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 37.31 1v32 s ILE 35 CO 0.73 -0.47 0.96 -0.44 0.00 0.00 0.00 174.94 175.71 1v32 s SER 36 N -3.52 7.19 0.17 3.58 0.01 -1.26 -4.96 113.70 114.91 1v32 s SER 36 Ca 0.44 1.84 -0.21 0.00 1.31 0.00 0.00 55.95 59.33 1v32 s SER 36 Cb -0.10 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.64 1v32 s SER 36 CO 0.34 -0.18 1.62 -0.09 0.41 0.00 0.00 173.24 175.34 1v32 h ARG 37 N 2.84 -0.18 -0.63 12.44 2.43 -1.98 -1.08 114.38 128.22 1v32 h ARG 37 Ca -0.47 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 58.83 1v32 h ARG 37 Cb 1.19 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.66 1v32 h ARG 37 CO 0.64 -0.12 -0.24 -0.92 -1.51 0.00 0.00 179.97 177.81 1v32 h TYR 38 N -0.19 -0.61 -0.11 2.20 5.03 -1.94 0.11 116.97 121.45 1v32 h TYR 38 Ca 0.19 0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.57 1v32 h TYR 38 Cb 0.48 0.37 -0.03 0.00 1.55 0.00 0.00 36.73 39.10 1v32 h TYR 38 CO -0.48 -0.33 -0.19 0.22 -1.32 0.00 0.00 178.16 176.06 1v32 h ASP 39 N -0.08 -0.63 -0.36 -2.11 1.82 -1.59 0.58 116.42 114.05 1v32 h ASP 39 Ca 0.28 0.08 0.04 0.00 -0.39 0.00 0.00 57.03 57.04 1v32 h ASP 39 Cb 0.52 0.25 -0.07 0.00 0.68 0.00 0.00 39.33 40.71 1v32 h ASP 39 CO -0.68 -0.15 -0.50 0.58 -1.61 0.00 0.00 179.24 176.87 1v32 h VAL 40 N -0.16 0.00 -0.54 2.25 2.07 -1.00 0.50 116.25 119.36 1v32 h VAL 40 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1v32 h VAL 40 Cb 0.22 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.91 1v32 h VAL 40 CO -0.19 0.00 -0.40 -1.28 0.02 0.00 0.00 177.57 175.72 1v32 h SER 41 N -0.37 -1.42 -0.86 0.57 0.87 -0.22 0.73 113.55 112.84 1v32 h SER 41 Ca 0.06 0.21 0.20 0.00 -1.23 0.00 0.00 61.79 61.03 1v32 h SER 41 Cb 0.54 0.61 -0.16 0.00 -0.44 0.00 0.00 62.40 62.96 1v32 h SER 41 CO -0.53 -0.20 -0.07 -0.78 -0.53 0.00 0.00 176.83 174.71 1v32 h ASP 42 N -0.10 -0.56 -0.70 6.23 1.82 0.11 0.98 116.42 124.20 1v32 h ASP 42 Ca 0.09 0.24 -0.00 0.00 -0.39 0.00 0.00 57.03 56.97 1v32 h ASP 42 Cb 0.33 0.46 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 1v32 h ASP 42 CO -0.56 -0.27 0.43 0.74 -1.61 0.00 0.00 179.24 177.97 1v32 h THR 43 N 0.04 1.19 -0.28 2.25 2.02 0.21 0.34 112.91 118.69 1v32 h THR 43 Ca 0.47 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 67.27 1v32 h THR 43 Cb 0.83 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1v32 h THR 43 CO -0.82 0.20 0.04 0.40 0.37 0.00 0.00 175.52 175.71 1v32 h ILE 44 N 0.95 0.85 -0.65 3.11 2.04 0.65 1.05 117.51 125.51 1v32 h ILE 44 Ca 0.25 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1v32 h ILE 44 Cb -0.05 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1v32 h ILE 44 CO -0.05 0.03 0.41 0.00 0.00 0.00 0.00 178.15 178.53 1v32 h ALA 45 N 1.21 0.82 -0.28 1.87 0.00 -0.29 0.25 119.26 122.85 1v32 h ALA 45 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1v32 h ALA 45 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1v32 h ALA 45 CO -0.18 0.28 0.12 0.87 0.00 0.00 0.00 179.25 180.34 1v32 h LYS 46 N 0.88 0.42 -0.42 0.00 1.57 0.07 -1.60 116.57 117.49 1v32 h LYS 46 Ca 0.23 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1v32 h LYS 46 Cb -0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1v32 h LYS 46 CO -0.05 0.43 0.26 -0.92 -0.57 0.00 0.00 179.45 178.60 1v32 h TYR 47 N 0.31 0.49 -0.39 -1.35 3.20 0.16 0.50 116.97 119.89 1v32 h TYR 47 Ca 0.09 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1v32 h TYR 47 Cb 0.16 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1v32 h TYR 47 CO -0.01 0.29 0.07 0.82 -1.64 0.00 0.00 178.16 177.69 1v32 h ILE 48 N 0.53 0.79 0.00 1.81 2.04 -0.29 0.38 117.51 122.76 1v32 h ILE 48 Ca 0.16 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.87 1v32 h ILE 48 Cb -0.02 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1v32 h ILE 48 CO -0.06 0.03 -0.40 -1.28 0.00 0.00 0.00 178.15 176.44 1v32 h SER 49 N 0.19 0.00 0.63 1.72 0.87 -0.80 1.62 113.55 117.78 1v32 h SER 49 Ca 0.19 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1v32 h SER 49 Cb 0.23 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1v32 h SER 49 CO -0.25 0.40 -0.30 0.50 -0.53 0.00 0.00 176.83 176.64 1v32 h LYS 50 N 0.00 -0.82 0.00 2.24 3.11 0.22 -3.00 116.57 118.32 1v32 h LYS 50 Ca -0.00 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1v32 h LYS 50 Cb 0.76 0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.17 1v32 h LYS 50 CO 0.05 -0.55 0.00 0.39 -2.81 0.00 0.00 179.45 176.54 1v32 n GLU 51 N -5.09 0.62 -3.33 1.90 -0.58 0.11 -4.89 120.64 109.37 1v32 n GLU 51 Ca -0.11 0.01 -0.17 0.00 -0.42 0.00 0.00 57.16 56.48 1v32 n GLU 51 Cb 0.34 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.78 1v32 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1v32 n GLY 52 N 0.94 -0.30 0.00 0.62 0.00 0.24 -4.87 105.19 101.82 1v32 n GLY 52 Ca 0.17 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.36 1v32 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1v32 n LEU 53 N -4.00 0.00 -4.29 0.99 4.32 0.49 -4.82 117.00 109.69 1v32 n LEU 53 Ca -0.17 0.38 -0.32 0.00 -0.02 0.00 0.00 56.01 55.88 1v32 n LEU 53 Cb 0.62 -0.38 0.18 0.00 -1.62 0.00 0.00 43.42 42.21 1v32 n LEU 53 CO 0.55 -0.13 -0.47 0.18 -1.22 0.00 0.00 177.39 176.31 1v32 n LEU 54 N -1.38 -2.18 -4.47 2.23 4.77 -1.25 0.10 117.00 114.81 1v32 n LEU 54 Ca 0.07 -0.11 -0.32 0.00 -0.03 0.00 0.00 56.01 55.62 1v32 n LEU 54 Cb 0.19 -0.98 -0.13 0.00 -2.33 0.00 0.00 43.42 40.17 1v32 n LEU 54 CO 0.17 -3.12 -0.46 -0.62 -1.33 0.00 0.00 177.39 172.03 1v32 s ASP 55 N -1.88 3.96 0.27 -1.43 2.15 -1.24 -4.41 116.67 114.09 1v32 s ASP 55 Ca 0.57 -0.23 0.13 0.00 0.43 0.00 0.00 52.55 53.44 1v32 s ASP 55 Cb -0.13 -0.80 0.28 0.00 -0.30 0.00 0.00 42.92 41.98 1v32 s ASP 55 CO 0.66 0.33 1.55 1.55 -0.17 0.00 0.00 175.17 179.09 1v32 h PRO 56 N 5.24 0.00 0.00 4.34 0.13 -1.95 -1.52 132.00 138.23 1v32 h PRO 56 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1v32 h PRO 56 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1v32 h PRO 56 CO 0.50 0.62 -0.25 1.03 -0.23 0.00 0.00 178.00 179.67 1v32 h SER 57 N 0.00 0.00 -0.56 1.44 0.87 -2.00 -3.42 113.55 109.87 1v32 h SER 57 Ca -0.01 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.68 1v32 h SER 57 Cb 1.23 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.99 1v32 h SER 57 CO 0.08 0.25 -0.17 0.54 -0.53 0.00 0.00 176.83 176.99 1v32 s ASN 58 N -6.27 -0.92 0.24 6.23 2.20 -1.12 -5.02 114.94 110.28 1v32 s ASN 58 Ca 0.04 0.06 -0.06 0.00 -0.94 0.00 0.00 52.86 51.96 1v32 s ASN 58 Cb 0.07 1.55 0.33 0.00 -2.00 0.00 0.00 41.25 41.20 1v32 s ASN 58 CO 0.68 -0.16 1.84 0.11 -2.94 0.00 0.00 177.10 176.63 1v32 h LYS 59 N 7.44 0.89 -0.39 3.55 6.56 -1.55 0.23 116.57 133.31 1v32 h LYS 59 Ca -0.05 -0.05 0.11 0.00 -1.06 0.00 0.00 60.65 59.60 1v32 h LYS 59 Cb 1.18 -0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 32.63 1v32 h LYS 59 CO 0.01 0.59 0.61 0.87 -2.06 0.00 0.00 179.45 179.46 1v32 h LYS 60 N 0.91 0.00 -7.09 3.15 6.56 -1.96 -3.40 116.57 114.75 1v32 h LYS 60 Ca 0.37 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 59.49 1v32 h LYS 60 Cb 0.20 0.00 0.08 0.00 -0.57 0.00 0.00 32.23 31.94 1v32 h LYS 60 CO -0.18 0.00 0.10 0.15 -2.06 0.00 0.00 179.45 177.45 1v32 s LYS 61 N -4.40 1.71 0.07 3.15 1.02 0.81 -2.96 119.74 119.15 1v32 s LYS 61 Ca -0.03 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 54.84 1v32 s LYS 61 Cb 0.12 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 35.05 1v32 s LYS 61 CO 0.42 -1.42 -0.07 0.08 -0.92 0.00 0.00 175.35 173.44 1v32 s VAL 62 N -3.12 0.62 -0.40 3.17 1.01 0.49 -3.71 120.40 118.47 1v32 s VAL 62 Ca 0.66 -1.59 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1v32 s VAL 62 Cb -0.05 -1.24 0.12 0.00 0.00 0.00 0.00 36.38 35.20 1v32 s VAL 62 CO 0.44 -0.68 0.17 -0.69 0.00 0.00 0.00 175.10 174.34 1v32 s VAL 63 N -2.72 1.53 0.31 2.92 1.01 0.28 -1.65 120.40 122.09 1v32 s VAL 63 Ca 0.03 -2.28 -0.28 0.00 0.00 0.00 0.00 61.98 59.45 1v32 s VAL 63 Cb -0.01 -2.10 -0.13 0.00 0.00 0.00 0.00 36.38 34.14 1v32 s VAL 63 CO -0.03 -0.77 1.12 0.00 0.00 0.00 0.00 175.10 175.42 1v32 n ASP 65 N 1.02 1.60 0.17 0.00 -0.08 -1.26 -4.84 116.55 113.16 1v32 n ASP 65 Ca 0.08 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 1v32 n ASP 65 Cb 0.34 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 43.14 1v32 n ASP 65 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1v32 n LYS 66 N -4.04 0.00 -0.17 -0.67 4.81 -1.26 -4.87 118.16 111.96 1v32 n LYS 66 Ca -0.39 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.02 1v32 n LYS 66 Cb 0.76 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.85 1v32 n LYS 66 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1v32 h ARG 67 N 0.00 0.01 -0.41 1.64 3.08 -1.98 1.09 114.38 117.82 1v32 h ARG 67 Ca 0.00 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1v32 h ARG 67 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1v32 h ARG 67 CO 0.00 0.01 0.06 -0.07 -1.07 0.00 0.00 179.97 178.89 1v32 h LEU 68 N 0.01 0.58 0.09 3.04 3.38 -1.94 -1.09 115.31 119.37 1v32 h LEU 68 Ca 0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1v32 h LEU 68 Cb 0.38 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1v32 h LEU 68 CO -0.52 0.61 -0.04 0.58 0.09 0.00 0.00 178.44 179.16 1v32 h VAL 69 N 0.60 1.09 0.00 1.22 2.07 -0.59 0.45 116.25 121.09 1v32 h VAL 69 Ca 0.13 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1v32 h VAL 69 Cb 0.29 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1v32 h VAL 69 CO 0.00 0.17 0.00 -0.07 0.02 0.00 0.00 177.57 177.69 1v32 h LEU 70 N -0.43 0.00 0.00 2.57 4.07 0.13 0.83 115.31 122.48 1v32 h LEU 70 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1v32 h LEU 70 Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1v32 h LEU 70 CO 0.02 0.00 -0.05 0.25 -1.08 0.00 0.00 178.44 177.58 1v32 h LEU 71 N 0.00 0.00 0.00 1.67 5.85 -0.50 -3.45 115.31 118.88 1v32 h LEU 71 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1v32 h LEU 71 Cb 0.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1v32 h LEU 71 CO 0.00 0.09 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.60 1v32 h PHE 72 N -0.12 0.00 0.00 1.25 0.04 0.00 -3.46 116.94 114.64 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 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1v32 h PHE 72 CO -0.02 0.29 0.00 0.41 -0.60 0.00 0.00 178.31 178.39 1v32 n GLY 73 N 1.66 1.41 3.83 -1.45 0.00 0.29 -5.01 105.19 105.92 1v32 n GLY 73 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 3.64 -0.11 2.61 -4.23 -1.26 -4.99 115.64 109.30 1v32 s THR 74 Ca 0.00 -1.42 0.06 0.00 -1.18 0.00 0.00 61.69 59.15 1v32 s THR 74 Cb 0.00 -3.19 -0.24 0.00 1.34 0.00 0.00 72.50 70.41 1v32 s THR 74 CO 0.00 -0.21 0.39 -1.14 -0.54 0.00 0.00 174.62 173.12 1v32 n ARG 75 N -1.30 0.68 -4.18 3.99 3.00 -1.26 -4.35 116.66 113.24 1v32 n ARG 75 Ca -0.03 0.23 -0.17 0.00 -0.00 0.00 0.00 57.85 57.87 1v32 n ARG 75 Cb 0.60 -1.70 -0.12 0.00 0.00 0.00 0.00 32.46 31.23 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 -2.56 0.92 0.32 5.15 -4.23 -1.26 0.18 115.64 114.15 1v32 s THR 76 Ca -0.14 -1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1v32 s THR 76 Cb 0.07 -0.89 0.02 0.00 1.34 0.00 0.00 72.50 73.04 1v32 s THR 76 CO 0.78 -0.20 0.50 2.30 -0.54 0.00 0.00 174.62 177.47 1v32 n ILE 77 N 1.55 0.00 -3.96 2.99 -5.35 -0.66 -4.91 119.36 109.03 1v32 n ILE 77 Ca -0.20 -1.34 -0.35 0.00 -0.27 0.00 0.00 62.75 60.58 1v32 n ILE 77 Cb 0.55 0.93 -0.13 0.00 -1.74 0.00 0.00 39.64 39.24 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 -3.17 2.99 0.37 4.28 0.40 -1.26 0.18 117.98 121.77 1v32 s PHE 78 Ca 0.22 -0.72 0.29 0.00 -0.60 0.00 0.00 56.93 56.12 1v32 s PHE 78 Cb -0.02 -2.11 1.60 0.00 0.51 0.00 0.00 43.02 42.99 1v32 s PHE 78 CO 0.16 -0.43 1.88 -0.09 0.70 0.00 0.00 175.22 177.44 1v32 h ARG 79 N 7.93 0.00 0.00 0.44 2.43 -1.79 0.72 114.38 124.12 1v32 h ARG 79 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1v32 h ARG 79 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1v32 h ARG 79 CO 0.60 0.00 -1.23 -1.33 -1.51 0.00 0.00 179.97 176.50 1v32 n MET 80 N -2.66 0.52 -1.29 0.20 2.81 -1.26 -4.01 117.12 111.44 1v32 n MET 80 Ca -0.02 0.01 -0.20 0.00 -1.81 0.00 0.00 57.70 55.68 1v32 n MET 80 Cb 0.21 -1.69 0.13 0.00 -0.71 0.00 0.00 33.22 31.16 1v32 n MET 80 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1v32 n LYS 81 N -2.37 2.52 -0.07 0.03 4.76 0.25 -4.59 118.16 118.68 1v32 n LYS 81 Ca -0.00 -3.40 -0.05 0.00 -2.87 0.00 0.00 58.31 51.99 1v32 n LYS 81 Cb 0.52 -2.11 -0.03 0.00 -1.84 0.00 0.00 35.03 31.57 1v32 n LYS 81 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1v32 h VAL 82 N 1.25 0.25 -1.04 -0.18 2.07 -1.59 -2.62 116.25 114.38 1v32 h VAL 82 Ca 0.43 -1.23 0.29 0.00 0.82 0.00 0.00 66.70 67.01 1v32 h VAL 82 Cb 1.61 0.52 -0.12 0.00 -1.52 0.00 0.00 31.29 31.77 1v32 h VAL 82 CO 0.93 0.08 0.63 0.22 0.02 0.00 0.00 177.57 179.45 1v32 h TYR 83 N -1.00 0.86 -0.00 1.57 5.03 -1.87 0.14 116.97 121.70 1v32 h TYR 83 Ca -0.04 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1v32 h TYR 83 Cb 0.43 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.47 1v32 h TYR 83 CO -0.06 -0.03 -0.01 0.22 -1.32 0.00 0.00 178.16 176.96 1v32 h ASP 84 N 0.42 0.02 -1.33 -2.11 3.58 -1.87 -3.10 116.42 112.02 1v32 h ASP 84 Ca 0.67 -0.64 0.46 0.00 0.42 0.00 0.00 57.03 57.94 1v32 h ASP 84 Cb 1.54 -0.01 -0.14 0.00 1.72 0.00 0.00 39.33 42.45 1v32 h ASP 84 CO -0.46 0.66 0.85 -0.07 -2.88 0.00 0.00 179.24 177.33 1v32 h LEU 85 N -0.62 0.23 0.00 2.28 3.38 -0.36 -3.32 115.31 116.91 1v32 h LEU 85 Ca -0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1v32 h LEU 85 Cb 0.65 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1v32 h LEU 85 CO 0.00 -0.24 0.00 0.18 0.09 0.00 0.00 178.44 178.47 1v32 n LEU 86 N -4.76 0.00 0.00 1.67 4.77 -0.74 -4.51 117.00 113.44 1v32 n LEU 86 Ca 0.39 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1v32 n LEU 86 Cb 1.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.58 1v32 n LEU 86 CO 0.18 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.45 1v32 n GLU 87 N 0.00 0.00 0.03 3.23 2.13 -1.25 -3.90 120.64 120.88 1v32 n GLU 87 Ca 0.00 0.00 0.22 0.00 0.66 0.00 0.00 57.16 58.04 1v32 n GLU 87 Cb 0.00 0.00 0.73 0.00 0.27 0.00 0.00 31.44 32.44 1v32 n GLU 87 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1v32 h LYS 88 N 0.00 0.00 -1.61 5.31 1.79 -1.84 0.19 116.57 120.41 1v32 h LYS 88 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 1v32 h LYS 88 Cb 0.00 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 30.43 1v32 h LYS 88 CO 0.00 0.00 0.66 0.72 -1.08 0.00 0.00 179.45 179.75 1v32 n HIS 89 N -3.89 2.29 -3.63 -1.35 8.25 -1.25 -4.78 115.22 110.85 1v32 n HIS 89 Ca 0.10 -2.31 -0.13 0.00 -0.26 0.00 0.00 57.72 55.11 1v32 n HIS 89 Cb 0.69 -1.25 -0.07 0.00 1.12 0.00 0.00 29.99 30.48 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 -2.78 -0.75 0.00 4.41 2.02 0.67 -3.71 117.35 117.21 1v32 s TYR 90 Ca 0.52 1.83 0.00 0.00 -0.37 0.00 0.00 57.07 59.05 1v32 s TYR 90 Cb 0.39 0.29 0.00 0.00 -0.40 0.00 0.00 41.96 42.24 1v32 s TYR 90 CO -0.15 -0.36 0.00 1.17 -1.57 0.00 0.00 175.55 174.64 1v32 n LYS 91 N 2.64 3.50 -2.67 -0.62 4.81 -1.04 -4.91 118.16 119.87 1v32 n LYS 91 Ca -0.14 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.88 1v32 n LYS 91 Cb 0.55 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.58 1v32 n LYS 91 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1v32 s GLU 92 N 2.45 3.75 -0.01 1.64 2.02 -1.26 -4.73 118.70 122.57 1v32 s GLU 92 Ca 0.00 -1.63 -0.01 0.00 0.02 0.00 0.00 54.97 53.36 1v32 s GLU 92 Cb 0.00 -5.30 -0.00 0.00 0.10 0.00 0.00 34.13 28.93 1v32 s GLU 92 CO 0.00 -2.10 -0.01 -1.71 0.02 0.00 0.00 175.26 171.46 1v32 n ASN 93 N 7.99 0.09 -4.73 -0.19 5.15 -1.26 -4.94 115.26 117.37 1v32 n ASN 93 Ca 0.36 0.13 -0.41 0.00 -0.60 0.00 0.00 54.58 54.06 1v32 n ASN 93 Cb 0.48 -0.51 -0.04 0.00 -0.53 0.00 0.00 39.78 39.18 1v32 n ASN 93 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1v32 s GLN 94 N -1.08 4.62 -0.47 1.20 0.74 -1.26 -4.91 119.66 118.50 1v32 s GLN 94 Ca -0.01 1.33 -0.41 0.00 0.05 0.00 0.00 55.36 56.32 1v32 s GLN 94 Cb 0.00 -3.39 -0.17 0.00 1.10 0.00 0.00 33.01 30.56 1v32 s GLN 94 CO 0.02 0.19 2.17 -0.25 -0.55 0.00 0.00 175.29 176.87 1v32 n ASP 95 N 2.97 1.13 0.00 6.67 9.92 -1.26 -2.87 116.55 133.12 1v32 n ASP 95 Ca 0.01 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 1v32 n ASP 95 Cb 0.50 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 1v32 n ASP 95 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1v32 n SER 96 N 8.32 0.00 0.00 -2.24 2.88 -1.26 -4.59 113.62 116.73 1v32 n SER 96 Ca 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1v32 n SER 96 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1v32 n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v32 n GLY 97 N 0.00 2.03 0.20 0.46 0.00 -1.14 -4.44 105.19 102.31 1v32 n GLY 97 Ca 0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 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 0.69 0.00 1.61 0.13 -1.92 -3.49 132.00 129.02 1v32 h PRO 98 Ca 0.00 -0.68 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1v32 h PRO 98 Cb 0.00 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.31 1v32 h PRO 98 CO 0.00 1.27 0.00 0.45 -0.23 0.00 0.00 178.00 179.49 1v32 n SER 99 N -3.87 0.00 -4.19 1.44 2.88 -1.26 -5.12 113.62 103.51 1v32 n SER 99 Ca -0.09 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.05 1v32 n SER 99 Cb 0.83 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.20 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 0.00 5.60 0.00 -3.46 0.15 -1.26 -5.27 113.70 109.47 1v32 s SER 100 Ca 0.00 -2.04 0.11 0.00 0.70 0.00 0.00 55.95 54.73 1v32 s SER 100 Cb 0.00 -1.97 0.68 0.00 -1.71 0.00 0.00 66.02 63.03 1v32 s SER 100 CO 0.00 -0.63 1.12 0.61 1.20 0.00 0.00 173.24 175.54