#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 6.62 -0.04 1.61 0.15 -1.26 -4.93 113.70 115.85 1v32 s SER 2 Ca 0.00 -1.88 -0.03 0.00 0.70 0.00 0.00 55.95 54.75 1v32 s SER 2 Cb 0.00 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.83 1v32 s SER 2 CO 0.00 -1.26 0.10 -0.44 1.20 0.00 0.00 173.24 172.84 1v32 s SER 3 N 4.25 -0.08 0.00 5.45 0.01 -1.26 -5.14 113.70 116.92 1v32 s SER 3 Ca 0.41 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1v32 s SER 3 Cb -0.02 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1v32 s SER 3 CO -0.07 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1v32 n GLY 4 N 3.37 0.70 3.25 3.44 0.00 -1.26 -5.05 105.19 109.64 1v32 n GLY 4 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1v32 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v32 n SER 5 N 0.00 -3.68 -4.32 1.61 3.41 -1.26 -4.91 113.62 104.47 1v32 n SER 5 Ca 0.00 0.28 -0.44 0.00 -0.26 0.00 0.00 58.87 58.45 1v32 n SER 5 Cb 0.00 -1.03 -0.07 0.00 -0.26 0.00 0.00 64.21 62.85 1v32 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1v32 s SER 6 N -1.59 6.02 0.00 4.04 1.04 -1.26 -4.60 113.70 117.35 1v32 s SER 6 Ca 0.50 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1v32 s SER 6 Cb -0.20 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1v32 s SER 6 CO 0.74 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1v32 n GLY 7 N 5.13 0.61 3.35 7.32 0.00 -1.26 -5.16 105.19 115.18 1v32 n GLY 7 Ca -0.12 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1v32 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v32 s LYS 8 N -0.17 1.60 0.49 1.61 1.02 -1.26 -5.11 119.74 117.92 1v32 s LYS 8 Ca 0.00 -1.17 -0.23 0.00 0.02 0.00 0.00 55.97 54.59 1v32 s LYS 8 Cb 0.00 -1.87 -0.06 0.00 -0.52 0.00 0.00 37.83 35.37 1v32 s LYS 8 CO 0.00 0.47 1.31 -0.98 -0.92 0.00 0.00 175.35 175.22 1v32 s ARG 9 N -1.52 3.47 0.00 1.68 1.70 -1.26 -5.03 118.95 118.00 1v32 s ARG 9 Ca 0.12 2.12 0.00 0.00 -0.47 0.00 0.00 55.73 57.50 1v32 s ARG 9 Cb -0.10 -2.40 0.00 0.00 -0.57 0.00 0.00 34.95 31.88 1v32 s ARG 9 CO 0.03 -0.89 0.00 0.34 -1.08 0.00 0.00 175.30 173.71 1v32 n PHE 10 N -0.64 0.00 -2.58 5.89 7.35 -1.26 -5.07 117.46 121.14 1v32 n PHE 10 Ca 0.08 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.36 1v32 n PHE 10 Cb 0.45 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.25 1v32 n PHE 10 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1v32 s GLU 11 N -1.41 3.25 0.44 -4.13 2.12 -1.26 -4.99 118.70 112.72 1v32 s GLU 11 Ca 0.00 -0.44 -0.22 0.00 0.36 0.00 0.00 54.97 54.67 1v32 s GLU 11 Cb 0.00 -4.37 -0.09 0.00 0.26 0.00 0.00 34.13 29.93 1v32 s GLU 11 CO 0.00 -2.13 1.04 -0.06 -0.54 0.00 0.00 175.26 173.58 1v32 s PHE 12 N 5.45 3.13 -0.69 5.30 0.40 -1.26 -4.93 117.98 125.37 1v32 s PHE 12 Ca 0.36 1.61 -0.20 0.00 -0.60 0.00 0.00 56.93 58.09 1v32 s PHE 12 Cb -0.07 -3.10 0.10 0.00 0.51 0.00 0.00 43.02 40.46 1v32 s PHE 12 CO 0.10 -0.73 0.89 0.54 0.70 0.00 0.00 175.22 176.72 1v32 s VAL 13 N -1.82 4.65 0.00 -0.44 0.11 -1.04 -4.81 120.40 117.05 1v32 s VAL 13 Ca 0.63 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1v32 s VAL 13 Cb -0.19 -4.62 0.00 0.00 -1.53 0.00 0.00 36.38 30.04 1v32 s VAL 13 CO 0.24 -1.32 0.00 0.61 -3.33 0.00 0.00 175.10 171.29 1v32 n GLY 14 N 5.28 1.45 0.10 6.54 0.00 -1.26 -3.81 105.19 113.50 1v32 n GLY 14 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.56 1.61 4.27 -1.26 -5.04 117.44 113.46 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 -0.24 -0.03 0.00 -1.36 0.00 0.00 31.31 29.68 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 -4.65 2.07 0.72 -1.67 0.00 -1.25 -1.75 107.32 100.80 1v32 s GLY 16 Ca -0.08 -1.84 -0.11 0.00 0.00 0.00 0.00 44.72 42.69 1v32 s GLY 16 CO 0.14 -1.67 1.07 -0.45 0.00 0.00 0.00 173.10 172.19 1v32 s SER 17 N -4.12 5.11 0.14 1.64 0.15 -1.24 -2.50 113.70 112.87 1v32 s SER 17 Ca 0.47 1.67 -0.21 0.00 0.70 0.00 0.00 55.95 58.59 1v32 s SER 17 Cb -0.04 -2.50 -0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1v32 s SER 17 CO 0.28 -1.62 1.68 -0.09 1.20 0.00 0.00 173.24 174.68 1v32 h ARG 18 N -0.84 -0.11 -0.93 5.44 2.43 -1.92 0.52 114.38 118.97 1v32 h ARG 18 Ca -0.44 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 58.92 1v32 h ARG 18 Cb 1.22 0.02 -0.17 0.00 -0.42 0.00 0.00 29.97 30.62 1v32 h ARG 18 CO 0.55 -0.07 -0.26 1.04 -1.51 0.00 0.00 179.97 179.72 1v32 n GLN 19 N -5.28 -0.11 0.03 0.20 6.02 -1.26 0.17 117.38 117.15 1v32 n GLN 19 Ca -0.02 1.45 -0.05 0.00 -0.01 0.00 0.00 57.00 58.36 1v32 n GLN 19 Cb 0.19 -2.16 -0.04 0.00 1.02 0.00 0.00 30.24 29.26 1v32 n GLN 19 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1v32 h LEU 20 N 0.00 -0.16 -0.06 1.08 5.85 -1.67 -2.93 115.31 117.42 1v32 h LEU 20 Ca 0.42 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 59.00 1v32 h LEU 20 Cb 0.65 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1v32 h LEU 20 CO -0.95 0.38 -0.04 0.40 -0.34 0.00 0.00 178.44 177.88 1v32 h ILE 21 N -1.02 0.00 -0.90 4.05 1.08 0.14 0.44 117.51 121.31 1v32 h ILE 21 Ca -0.02 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.53 1v32 h ILE 21 Cb 0.30 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.94 1v32 h ILE 21 CO 0.03 0.00 -0.56 -0.08 -0.69 0.00 0.00 178.15 176.86 1v32 h GLU 22 N -0.01 -0.03 -1.04 2.37 4.22 0.15 1.41 114.58 121.64 1v32 h GLU 22 Ca 0.01 0.00 0.28 0.00 0.08 0.00 0.00 59.36 59.73 1v32 h GLU 22 Cb 0.04 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.18 1v32 h GLU 22 CO -0.06 -0.02 0.64 0.35 -2.18 0.00 0.00 179.01 177.73 1v32 h PHE 23 N -0.03 0.84 0.01 0.92 3.57 -1.04 1.08 116.94 122.29 1v32 h PHE 23 Ca 0.14 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.49 1v32 h PHE 23 Cb 0.40 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1v32 h PHE 23 CO -1.00 0.01 -0.87 -0.07 -2.23 0.00 0.00 178.31 174.16 1v32 h LEU 24 N 0.45 0.14 -0.16 0.59 3.38 0.56 -2.83 115.31 117.45 1v32 h LEU 24 Ca 0.65 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 1v32 h LEU 24 Cb 1.47 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1v32 h LEU 24 CO -0.42 0.94 0.05 0.45 0.09 0.00 0.00 178.44 179.54 1v32 h HIS 25 N 0.06 0.26 0.47 1.13 3.86 0.96 1.18 115.15 123.07 1v32 h HIS 25 Ca -0.03 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 1v32 h HIS 25 Cb 1.50 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.90 1v32 h HIS 25 CO 0.02 0.37 -0.28 0.77 0.86 0.00 0.00 177.93 179.66 1v32 h SER 26 N 0.08 -0.72 -1.50 2.45 0.02 -0.64 -1.83 113.55 111.42 1v32 h SER 26 Ca 0.05 0.04 0.45 0.00 -0.84 0.00 0.00 61.79 61.49 1v32 h SER 26 Cb 0.23 0.21 -0.09 0.00 0.14 0.00 0.00 62.40 62.89 1v32 h SER 26 CO -0.00 -0.44 1.04 -0.07 -1.14 0.00 0.00 176.83 176.22 1v32 h LEU 27 N -0.71 0.11 0.00 5.07 3.38 -1.54 -3.43 115.31 118.20 1v32 h LEU 27 Ca -0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1v32 h LEU 27 Cb 0.57 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1v32 h LEU 27 CO 0.07 -0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1v32 n GLY 28 N -1.72 1.35 3.56 0.83 0.00 -0.69 -5.05 105.19 103.47 1v32 n GLY 28 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.14 3.36 -0.37 1.61 -0.14 0.40 -4.93 119.74 119.52 1v32 s LYS 29 Ca 0.00 -0.03 -0.35 0.00 -1.36 0.00 0.00 55.97 54.24 1v32 s LYS 29 Cb 0.00 -4.09 -0.12 0.00 -1.68 0.00 0.00 37.83 31.95 1v32 s LYS 29 CO 0.00 -1.82 2.21 -3.47 -0.76 0.00 0.00 175.35 171.51 1v32 n ASP 30 N 8.61 2.07 -2.25 2.83 2.03 -1.26 -4.30 116.55 124.28 1v32 n ASP 30 Ca 0.05 0.37 -0.21 0.00 0.52 0.00 0.00 54.79 55.52 1v32 n ASP 30 Cb 0.49 -1.26 -0.06 0.00 -0.72 0.00 0.00 41.12 39.56 1v32 n ASP 30 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1v32 n THR 31 N 7.24 3.11 0.00 5.18 -2.24 -1.26 -4.57 114.28 121.74 1v32 n THR 31 Ca 0.42 -2.36 0.00 0.00 -2.27 0.00 0.00 64.05 59.84 1v32 n THR 31 Cb 0.23 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 1v32 n THR 31 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1v32 n SER 32 N 1.15 0.00 -4.78 3.42 7.64 -1.26 -4.85 113.62 114.94 1v32 n SER 32 Ca 0.43 0.30 -0.37 0.00 1.01 0.00 0.00 58.87 60.24 1v32 n SER 32 Cb 0.63 -0.20 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 1v32 n SER 32 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1v32 s GLU 33 N -0.68 4.02 -0.88 1.43 2.02 -1.26 -4.96 118.70 118.40 1v32 s GLU 33 Ca 0.00 0.12 -0.33 0.00 0.02 0.00 0.00 54.97 54.78 1v32 s GLU 33 Cb 0.00 -3.33 -0.21 0.00 0.10 0.00 0.00 34.13 30.69 1v32 s GLU 33 CO 0.00 0.45 2.53 -0.12 0.02 0.00 0.00 175.26 178.13 1v32 n MET 34 N 2.87 0.00 -1.17 1.61 0.00 -1.26 -4.85 117.12 114.31 1v32 n MET 34 Ca -0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 57.70 57.26 1v32 n MET 34 Cb 0.53 -1.47 0.13 0.00 0.00 0.00 0.00 33.22 32.41 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 8.19 2.77 0.31 1.12 1.01 -1.26 -5.01 121.20 128.33 1v32 s ILE 35 Ca 1.30 0.25 -0.19 0.00 0.00 0.00 0.00 60.65 62.00 1v32 s ILE 35 Cb -1.28 -2.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 1v32 s ILE 35 CO 0.51 -0.33 0.81 -0.44 0.00 0.00 0.00 174.94 175.50 1v32 s SER 36 N -3.35 6.99 0.12 3.58 0.01 -1.26 -4.98 113.70 114.82 1v32 s SER 36 Ca 0.63 1.50 -0.19 0.00 1.31 0.00 0.00 55.95 59.19 1v32 s SER 36 Cb -0.18 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 1v32 s SER 36 CO 0.57 -0.14 1.76 -0.09 0.41 0.00 0.00 173.24 175.75 1v32 h ARG 37 N 2.71 0.20 -0.28 12.44 2.43 -1.98 -1.70 114.38 128.20 1v32 h ARG 37 Ca -0.48 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.74 1v32 h ARG 37 Cb 1.18 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.63 1v32 h ARG 37 CO 0.64 0.13 -0.10 -0.92 -1.51 0.00 0.00 179.97 178.22 1v32 h TYR 38 N 0.20 -0.22 0.23 2.20 3.20 -1.96 0.18 116.97 120.80 1v32 h TYR 38 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1v32 h TYR 38 Cb 0.03 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1v32 h TYR 38 CO -0.10 -0.16 -0.41 -0.44 -1.64 0.00 0.00 178.16 175.42 1v32 h ASP 39 N -0.04 -1.18 -0.64 -2.11 5.19 -1.89 0.51 116.42 116.27 1v32 h ASP 39 Ca 0.14 0.11 0.12 0.00 -0.62 0.00 0.00 57.03 56.79 1v32 h ASP 39 Cb 0.25 0.41 -0.12 0.00 0.18 0.00 0.00 39.33 40.06 1v32 h ASP 39 CO -0.32 -0.48 -0.21 0.58 -3.12 0.00 0.00 179.24 175.69 1v32 h VAL 40 N -0.68 0.29 -0.75 -1.35 2.07 -1.01 0.99 116.25 115.80 1v32 h VAL 40 Ca -0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1v32 h VAL 40 Cb 0.64 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1v32 h VAL 40 CO -0.15 0.00 0.49 0.28 0.02 0.00 0.00 177.57 178.22 1v32 h SER 41 N -0.05 0.60 -0.52 0.57 0.02 0.04 0.93 113.55 115.13 1v32 h SER 41 Ca 0.29 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 1v32 h SER 41 Cb 0.51 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1v32 h SER 41 CO -0.68 0.36 -0.11 -0.78 -1.14 0.00 0.00 176.83 174.48 1v32 h ASP 42 N 0.66 0.99 0.77 3.07 1.82 0.59 -1.57 116.42 122.75 1v32 h ASP 42 Ca 0.34 -0.35 -0.03 0.00 -0.39 0.00 0.00 57.03 56.60 1v32 h ASP 42 Cb 0.46 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.20 1v32 h ASP 42 CO -0.12 1.12 -0.12 0.74 -1.61 0.00 0.00 179.24 179.24 1v32 h THR 43 N 0.85 0.36 0.06 2.25 2.02 0.16 -2.16 112.91 116.45 1v32 h THR 43 Ca 0.13 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1v32 h THR 43 Cb 0.67 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1v32 h THR 43 CO 0.05 0.12 -0.03 0.40 0.37 0.00 0.00 175.52 176.43 1v32 h ILE 44 N 0.00 1.21 -0.75 3.11 2.04 -0.32 -0.62 117.51 122.19 1v32 h ILE 44 Ca -0.00 -1.53 0.11 0.00 1.00 0.00 0.00 64.86 64.44 1v32 h ILE 44 Cb 0.54 2.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.70 1v32 h ILE 44 CO 0.02 0.35 0.49 0.00 0.00 0.00 0.00 178.15 179.01 1v32 h ALA 45 N -0.08 1.87 -0.03 1.87 0.00 -1.18 0.41 119.26 122.12 1v32 h ALA 45 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1v32 h ALA 45 Cb 0.63 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1v32 h ALA 45 CO 0.01 -0.04 -0.03 -0.22 0.00 0.00 0.00 179.25 178.98 1v32 h LYS 46 N 0.61 0.07 -0.51 0.00 3.64 -1.40 -2.92 116.57 116.06 1v32 h LYS 46 Ca 0.35 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.72 1v32 h LYS 46 Cb 0.53 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 1v32 h LYS 46 CO -0.13 0.55 0.28 -0.92 -2.27 0.00 0.00 179.45 176.97 1v32 h TYR 47 N -0.40 0.52 -0.53 1.91 3.20 0.12 1.29 116.97 123.07 1v32 h TYR 47 Ca 0.00 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.00 1v32 h TYR 47 Cb 0.54 -0.16 -0.10 0.00 1.54 0.00 0.00 36.73 38.55 1v32 h TYR 47 CO 0.10 0.28 -0.08 0.82 -1.64 0.00 0.00 178.16 177.63 1v32 h ILE 48 N 0.55 0.50 -0.06 1.81 2.04 -0.24 -0.12 117.51 121.99 1v32 h ILE 48 Ca 0.22 -0.01 -0.22 0.00 1.00 0.00 0.00 64.86 65.84 1v32 h ILE 48 Cb 0.08 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1v32 h ILE 48 CO -0.13 0.01 -0.82 -1.28 0.00 0.00 0.00 178.15 175.93 1v32 h SER 49 N 0.04 0.82 -0.34 1.72 0.87 -1.19 1.53 113.55 117.00 1v32 h SER 49 Ca 0.26 -0.70 0.03 0.00 -1.23 0.00 0.00 61.79 60.16 1v32 h SER 49 Cb 0.41 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 1v32 h SER 49 CO -0.51 1.40 -0.30 0.50 -0.53 0.00 0.00 176.83 177.39 1v32 h LYS 50 N 0.32 -0.12 0.04 2.24 1.63 0.29 -2.84 116.57 118.13 1v32 h LYS 50 Ca -0.09 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1v32 h LYS 50 Cb 1.48 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.13 1v32 h LYS 50 CO 0.16 -0.08 -0.02 0.93 -3.45 0.00 0.00 179.45 177.00 1v32 h GLU 51 N -0.12 -0.05 0.00 1.90 4.39 -1.18 -3.49 114.58 116.04 1v32 h GLU 51 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1v32 h GLU 51 Cb 0.27 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1v32 h GLU 51 CO -0.38 0.58 0.00 0.41 -1.16 0.00 0.00 179.01 178.45 1v32 n GLY 52 N 0.75 0.93 0.21 -3.84 0.00 0.70 -5.03 105.19 98.90 1v32 n GLY 52 Ca -0.09 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -9.33 0.99 4.07 0.17 -3.46 115.31 107.75 1v32 h LEU 53 Ca 0.00 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.47 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 0.00 -1.78 0.18 -1.08 0.00 0.00 178.44 175.76 1v32 n LEU 54 N -3.01 -2.91 -4.53 1.67 4.77 -1.24 0.13 117.00 111.88 1v32 n LEU 54 Ca 0.04 0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.72 1v32 n LEU 54 Cb 0.51 -0.78 -0.12 0.00 -2.33 0.00 0.00 43.42 40.70 1v32 n LEU 54 CO 0.33 -3.40 -0.42 -0.62 -1.33 0.00 0.00 177.39 171.95 1v32 s ASP 55 N -1.41 4.34 0.22 -1.43 2.15 -1.23 -4.30 116.67 115.01 1v32 s ASP 55 Ca 0.46 -0.13 0.10 0.00 0.43 0.00 0.00 52.55 53.40 1v32 s ASP 55 Cb -0.05 -0.99 0.17 0.00 -0.30 0.00 0.00 42.92 41.74 1v32 s ASP 55 CO 0.69 0.34 1.50 1.55 -0.17 0.00 0.00 175.17 179.08 1v32 h PRO 56 N 5.15 0.00 -0.02 4.34 0.13 -1.95 -2.26 132.00 137.38 1v32 h PRO 56 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 1v32 h PRO 56 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1v32 h PRO 56 CO 0.51 0.74 -0.63 1.03 -0.23 0.00 0.00 178.00 179.43 1v32 h SER 57 N 0.00 0.09 -0.72 1.44 0.87 -2.00 -3.42 113.55 109.80 1v32 h SER 57 Ca -0.01 -0.05 0.13 0.00 -1.23 0.00 0.00 61.79 60.62 1v32 h SER 57 Cb 1.32 -0.03 -0.21 0.00 -0.44 0.00 0.00 62.40 63.05 1v32 h SER 57 CO 0.10 0.69 -0.17 0.21 -0.53 0.00 0.00 176.83 177.13 1v32 s ASN 58 N -6.86 -1.09 0.50 6.23 2.47 -1.16 -5.01 114.94 110.01 1v32 s ASN 58 Ca -0.02 0.40 0.16 0.00 0.42 0.00 0.00 52.86 53.82 1v32 s ASN 58 Cb 0.12 1.80 1.22 0.00 -1.45 0.00 0.00 41.25 42.94 1v32 s ASN 58 CO 0.78 -0.20 2.10 0.11 -3.72 0.00 0.00 177.10 176.16 1v32 h LYS 59 N 7.87 0.10 -0.33 0.43 1.57 -1.68 0.12 116.57 124.65 1v32 h LYS 59 Ca -0.12 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1v32 h LYS 59 Cb 1.17 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1v32 h LYS 59 CO 0.09 0.07 0.42 0.87 -0.57 0.00 0.00 179.45 180.33 1v32 h LYS 60 N 0.11 0.00 -6.73 3.15 1.79 -1.95 -3.41 116.57 109.52 1v32 h LYS 60 Ca 0.08 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.10 1v32 h LYS 60 Cb 0.21 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.90 1v32 h LYS 60 CO -0.01 0.00 -0.08 0.15 -1.08 0.00 0.00 179.45 178.43 1v32 s LYS 61 N -4.52 2.36 -0.01 3.15 1.02 0.43 -3.37 119.74 118.79 1v32 s LYS 61 Ca -0.04 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 54.72 1v32 s LYS 61 Cb 0.14 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1v32 s LYS 61 CO 0.50 -0.80 -0.00 0.08 -0.92 0.00 0.00 175.35 174.20 1v32 s VAL 62 N -2.71 0.12 -0.45 3.17 1.01 0.26 -3.57 120.40 118.24 1v32 s VAL 62 Ca 0.60 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.51 1v32 s VAL 62 Cb -0.08 -0.17 0.10 0.00 0.00 0.00 0.00 36.38 36.23 1v32 s VAL 62 CO 0.38 0.09 0.32 -0.69 0.00 0.00 0.00 175.10 175.20 1v32 s VAL 63 N 0.51 4.31 0.56 2.92 1.01 0.36 -0.63 120.40 129.43 1v32 s VAL 63 Ca -0.05 -1.57 -0.20 0.00 0.00 0.00 0.00 61.98 60.16 1v32 s VAL 63 Cb -0.07 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 1v32 s VAL 63 CO -0.01 -0.65 1.03 0.00 0.00 0.00 0.00 175.10 175.47 1v32 n ASP 65 N -0.54 0.90 0.06 0.00 -0.08 -1.26 -4.90 116.55 110.74 1v32 n ASP 65 Ca 0.12 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1v32 n ASP 65 Cb 0.45 -0.37 0.00 0.00 2.34 0.00 0.00 41.12 43.54 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 -3.57 0.00 -0.30 -0.67 3.00 -1.26 -4.88 118.16 110.48 1v32 n LYS 66 Ca -0.23 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.19 1v32 n LYS 66 Cb 0.64 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.92 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 0.12 -0.59 1.64 3.08 -1.97 1.02 114.38 117.67 1v32 h ARG 67 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1v32 h ARG 67 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1v32 h ARG 67 CO 0.00 0.08 0.17 -0.07 -1.07 0.00 0.00 179.97 179.07 1v32 h LEU 68 N 0.12 0.87 0.47 3.04 3.38 -1.94 -1.38 115.31 119.87 1v32 h LEU 68 Ca 0.52 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1v32 h LEU 68 Cb 1.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1v32 h LEU 68 CO -0.73 0.86 -0.23 0.58 0.09 0.00 0.00 178.44 179.02 1v32 h VAL 69 N 0.84 0.53 0.00 1.22 2.07 0.50 0.71 116.25 122.12 1v32 h VAL 69 Ca 0.19 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1v32 h VAL 69 Cb 0.32 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1v32 h VAL 69 CO -0.00 0.01 0.14 -0.07 0.02 0.00 0.00 177.57 177.67 1v32 h LEU 70 N -0.67 0.00 0.00 2.57 3.38 0.46 1.43 115.31 122.48 1v32 h LEU 70 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1v32 h LEU 70 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1v32 h LEU 70 CO 0.11 0.00 -0.00 0.25 0.09 0.00 0.00 178.44 178.89 1v32 h LEU 71 N 0.00 0.00 0.00 1.67 5.85 0.05 -3.43 115.31 119.45 1v32 h LEU 71 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1v32 h LEU 71 Cb 0.29 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1v32 h LEU 71 CO 0.00 0.00 -0.64 -0.26 -0.34 0.00 0.00 178.44 177.20 1v32 h PHE 72 N -0.00 0.00 0.00 1.25 0.04 0.60 -3.45 116.94 115.38 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 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1v32 h PHE 72 CO -0.00 0.94 0.00 0.41 -0.60 0.00 0.00 178.31 179.06 1v32 n GLY 73 N 1.55 0.80 3.94 -1.45 0.00 0.49 -5.00 105.19 105.52 1v32 n GLY 73 Ca -0.18 0.00 -0.24 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 4.89 -0.18 2.61 -4.23 -1.26 -4.94 115.64 110.53 1v32 s THR 74 Ca 0.00 -0.37 -0.25 0.00 -1.18 0.00 0.00 61.69 59.89 1v32 s THR 74 Cb 0.00 -3.80 -0.22 0.00 1.34 0.00 0.00 72.50 69.82 1v32 s THR 74 CO 0.00 -0.57 0.45 -0.09 -0.54 0.00 0.00 174.62 173.88 1v32 h ARG 75 N 0.61 0.00 -6.45 3.99 9.65 -1.95 -3.39 114.38 116.85 1v32 h ARG 75 Ca -0.49 0.00 -0.64 0.00 -1.10 0.00 0.00 59.98 57.75 1v32 h ARG 75 Cb 1.22 0.00 -0.26 0.00 -1.39 0.00 0.00 29.97 29.55 1v32 h ARG 75 CO 0.61 0.99 -0.86 0.95 2.80 0.00 0.00 179.97 184.45 1v32 s THR 76 N -2.30 1.93 0.17 0.20 -4.23 -1.26 0.15 115.64 110.31 1v32 s THR 76 Ca -0.24 -1.35 -0.10 0.00 -1.18 0.00 0.00 61.69 58.82 1v32 s THR 76 Cb 0.02 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 72.19 1v32 s THR 76 CO 0.63 0.26 0.33 0.27 -0.54 0.00 0.00 174.62 175.57 1v32 s ILE 77 N -0.84 0.06 -0.24 2.99 -4.36 0.20 -4.95 121.20 114.05 1v32 s ILE 77 Ca 0.10 -1.29 -0.17 0.00 -0.26 0.00 0.00 60.65 59.03 1v32 s ILE 77 Cb -0.09 -1.81 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 1v32 s ILE 77 CO 0.02 -0.26 0.46 -0.36 0.24 0.00 0.00 174.94 175.04 1v32 s PHE 78 N -3.95 3.29 0.57 1.37 0.40 -1.26 0.89 117.98 119.29 1v32 s PHE 78 Ca 0.16 0.59 0.46 0.00 -0.60 0.00 0.00 56.93 57.54 1v32 s PHE 78 Cb 0.02 -2.64 1.58 0.00 0.51 0.00 0.00 43.02 42.50 1v32 s PHE 78 CO -0.00 -0.20 1.53 -0.09 0.70 0.00 0.00 175.22 177.16 1v32 h ARG 79 N 7.87 0.00 0.07 0.44 2.43 -1.83 1.23 114.38 124.59 1v32 h ARG 79 Ca -0.31 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.73 1v32 h ARG 79 Cb 1.15 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1v32 h ARG 79 CO 0.70 0.00 -0.62 1.98 -1.51 0.00 0.00 179.97 180.52 1v32 h MET 80 N 0.00 0.15 -0.14 0.20 4.05 -1.91 -3.25 114.93 114.02 1v32 h MET 80 Ca 0.84 -0.26 0.04 0.00 -0.28 0.00 0.00 59.70 60.04 1v32 h MET 80 Cb 3.56 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 34.45 1v32 h MET 80 CO -0.01 1.13 0.37 0.87 0.23 0.00 0.00 176.91 179.50 1v32 h LYS 81 N -0.66 0.00 -0.82 0.39 1.79 0.11 -1.76 116.57 115.62 1v32 h LYS 81 Ca -0.13 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.47 1v32 h LYS 81 Cb 1.38 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.90 1v32 h LYS 81 CO 0.05 0.00 -0.40 0.28 -1.08 0.00 0.00 179.45 178.30 1v32 h VAL 82 N 0.00 0.06 0.30 0.50 2.07 -1.26 1.50 116.25 119.42 1v32 h VAL 82 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1v32 h VAL 82 Cb 0.81 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1v32 h VAL 82 CO -0.00 0.00 -0.39 0.22 0.02 0.00 0.00 177.57 177.42 1v32 h TYR 83 N -0.08 -1.09 -0.60 1.57 3.20 -1.55 -1.29 116.97 117.13 1v32 h TYR 83 Ca 0.27 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.28 1v32 h TYR 83 Cb 0.56 0.44 -0.10 0.00 1.54 0.00 0.00 36.73 39.17 1v32 h TYR 83 CO -0.80 -0.50 0.03 0.22 -1.64 0.00 0.00 178.16 175.48 1v32 h ASP 84 N -0.71 -0.20 -1.06 -2.11 1.82 -1.34 0.52 116.42 113.33 1v32 h ASP 84 Ca -0.04 0.14 0.28 0.00 -0.39 0.00 0.00 57.03 57.02 1v32 h ASP 84 Cb 0.64 0.24 -0.11 0.00 0.68 0.00 0.00 39.33 40.78 1v32 h ASP 84 CO -0.09 -0.08 0.67 -0.07 -1.61 0.00 0.00 179.24 178.05 1v32 h LEU 85 N 0.15 0.47 -8.42 2.28 3.38 0.25 -3.31 115.31 110.10 1v32 h LEU 85 Ca 0.31 0.10 -0.53 0.00 0.09 0.00 0.00 57.88 57.85 1v32 h LEU 85 Cb 0.49 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1v32 h LEU 85 CO -0.48 0.05 1.11 -0.76 0.09 0.00 0.00 178.44 178.45 1v32 s LEU 86 N -9.79 3.23 0.00 1.67 1.43 0.18 -4.25 118.68 111.16 1v32 s LEU 86 Ca -0.09 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1v32 s LEU 86 Cb 0.26 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1v32 s LEU 86 CO 0.80 -1.89 0.00 1.21 0.23 0.00 0.00 176.35 176.70 1v32 n GLU 87 N 9.21 0.00 -0.09 1.70 2.13 -1.25 -4.88 120.64 127.46 1v32 n GLU 87 Ca 0.07 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.94 1v32 n GLU 87 Cb 0.50 0.00 0.19 0.00 0.27 0.00 0.00 31.44 32.39 1v32 n GLU 87 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1v32 n LYS 88 N -2.15 1.47 -1.28 5.31 4.76 -1.26 -3.49 118.16 121.52 1v32 n LYS 88 Ca 0.00 -0.73 -0.15 0.00 -2.87 0.00 0.00 58.31 54.56 1v32 n LYS 88 Cb 0.00 -1.21 0.12 0.00 -1.84 0.00 0.00 35.03 32.10 1v32 n LYS 88 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1v32 n HIS 89 N 0.05 1.94 -3.70 2.13 8.25 -1.26 -4.75 115.22 117.88 1v32 n HIS 89 Ca 0.09 -2.04 -0.14 0.00 -0.26 0.00 0.00 57.72 55.38 1v32 n HIS 89 Cb 0.19 -0.60 -0.09 0.00 1.12 0.00 0.00 29.99 30.61 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 -3.46 -0.50 0.00 4.41 1.51 -1.23 -3.70 117.35 114.38 1v32 s TYR 90 Ca 0.50 1.18 0.00 0.00 -1.01 0.00 0.00 57.07 57.74 1v32 s TYR 90 Cb 0.42 0.18 0.00 0.00 -0.11 0.00 0.00 41.96 42.46 1v32 s TYR 90 CO 0.01 -0.29 0.00 1.17 -1.11 0.00 0.00 175.55 175.33 1v32 n LYS 91 N 2.56 3.14 -2.79 -0.62 4.81 -0.72 -4.95 118.16 119.58 1v32 n LYS 91 Ca -0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1v32 n LYS 91 Cb 0.57 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.62 1v32 n LYS 91 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1v32 n GLU 92 N 0.00 -3.02 -2.16 1.64 1.02 -1.26 -4.89 120.64 111.96 1v32 n GLU 92 Ca 0.00 2.49 -0.41 0.00 -0.02 0.00 0.00 57.16 59.23 1v32 n GLU 92 Cb 0.00 -4.70 -0.02 0.00 -0.02 0.00 0.00 31.44 26.70 1v32 n GLU 92 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1v32 s ASN 93 N -1.53 6.84 0.44 1.62 3.84 -1.26 -5.03 114.94 119.87 1v32 s ASN 93 Ca -0.00 2.60 0.04 0.00 0.21 0.00 0.00 52.86 55.71 1v32 s ASN 93 Cb 0.00 -2.64 -0.04 0.00 -0.55 0.00 0.00 41.25 38.02 1v32 s ASN 93 CO 0.66 -0.50 0.04 -1.10 -2.79 0.00 0.00 177.10 173.41 1v32 s GLN 94 N -1.45 2.01 -0.83 0.43 -0.21 -1.26 -5.02 119.66 113.33 1v32 s GLN 94 Ca 0.50 -2.22 -0.22 0.00 0.02 0.00 0.00 55.36 53.44 1v32 s GLN 94 Cb -0.39 -1.29 -0.20 0.00 1.00 0.00 0.00 33.01 32.13 1v32 s GLN 94 CO 0.49 -0.28 2.41 -0.25 -2.12 0.00 0.00 175.29 175.54 1v32 n ASP 95 N -1.12 0.65 -3.60 5.90 9.92 -1.26 -4.71 116.55 122.34 1v32 n ASP 95 Ca -0.11 -0.63 0.01 0.00 -0.53 0.00 0.00 54.79 53.54 1v32 n ASP 95 Cb 0.67 -1.16 -0.01 0.00 -0.64 0.00 0.00 41.12 39.98 1v32 n ASP 95 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1v32 s SER 96 N 7.73 -0.04 0.00 -2.24 1.04 -1.26 -5.13 113.70 113.80 1v32 s SER 96 Ca 1.15 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.51 1v32 s SER 96 Cb -0.60 0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.61 1v32 s SER 96 CO 0.35 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1v32 n GLY 97 N -0.41 -0.05 1.03 7.32 0.00 -1.26 -4.93 105.19 106.88 1v32 n GLY 97 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1v32 n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v32 n PRO 98 N -1.00 -0.97 -3.53 1.61 -0.04 -1.26 -5.19 135.00 124.62 1v32 n PRO 98 Ca 0.00 -0.53 -0.01 0.00 -0.04 0.00 0.00 63.50 62.92 1v32 n PRO 98 Cb 0.00 -0.42 -0.05 0.00 -0.04 0.00 0.00 33.50 32.99 1v32 n PRO 98 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1v32 s SER 99 N -2.35 -0.71 0.25 3.54 1.04 -1.26 -5.06 113.70 109.15 1v32 s SER 99 Ca 0.20 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1v32 s SER 99 Cb -0.01 1.65 0.00 0.00 0.10 0.00 0.00 66.02 67.76 1v32 s SER 99 CO 0.15 -0.15 0.00 -1.20 0.98 0.00 0.00 173.24 173.02 1v32 n SER 100 N 4.70 -2.21 -0.69 7.02 7.64 -1.26 -5.20 113.62 123.62 1v32 n SER 100 Ca -0.13 0.50 0.09 0.00 1.01 0.00 0.00 58.87 60.34 1v32 n SER 100 Cb 0.54 2.27 0.07 0.00 -1.01 0.00 0.00 64.21 66.08 1v32 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64