#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 0.00 -3.64 1.61 2.88 -1.26 -5.18 113.62 108.03 1v32 n SER 2 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1v32 n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1v32 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v32 s SER 3 N 0.00 -0.30 0.00 -3.46 0.15 -1.26 -5.07 113.70 103.76 1v32 s SER 3 Ca 0.00 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1v32 s SER 3 Cb 0.00 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1v32 s SER 3 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1v32 n GLY 4 N 2.40 -0.47 3.52 9.45 0.00 -1.26 -5.12 105.19 113.70 1v32 n GLY 4 Ca -0.13 0.26 -0.59 0.00 0.00 0.00 0.00 46.02 45.55 1v32 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v32 n SER 5 N 0.00 0.15 -3.51 1.61 7.64 -1.26 -4.93 113.62 113.33 1v32 n SER 5 Ca 0.00 1.16 -0.09 0.00 1.01 0.00 0.00 58.87 60.95 1v32 n SER 5 Cb 0.00 -0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 1v32 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v32 s SER 6 N 0.18 -0.39 0.00 6.43 0.01 -1.26 -5.14 113.70 113.52 1v32 s SER 6 Ca 0.91 0.07 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1v32 s SER 6 Cb -1.26 0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1v32 s SER 6 CO 0.58 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1v32 n GLY 7 N -0.10 0.18 0.63 3.44 0.00 -1.26 -5.12 105.19 102.95 1v32 n GLY 7 Ca -0.10 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1v32 n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1v32 n LYS 8 N 0.00 -1.77 -4.28 1.61 5.02 -1.26 -4.98 118.16 112.51 1v32 n LYS 8 Ca 0.00 1.29 -0.34 0.00 -2.02 0.00 0.00 58.31 57.24 1v32 n LYS 8 Cb 0.00 -1.42 -0.12 0.00 -0.02 0.00 0.00 35.03 33.47 1v32 n LYS 8 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1v32 s ARG 9 N -3.87 3.72 0.34 1.97 0.52 -1.26 -5.04 118.95 115.33 1v32 s ARG 9 Ca 0.00 -0.49 -0.07 0.00 -0.52 0.00 0.00 55.73 54.66 1v32 s ARG 9 Cb 0.00 -3.00 0.01 0.00 0.52 0.00 0.00 34.95 32.49 1v32 s ARG 9 CO 0.00 0.21 0.55 0.12 0.02 0.00 0.00 175.30 176.20 1v32 s PHE 10 N 0.46 0.76 0.15 -0.53 5.36 -1.26 -5.12 117.98 117.80 1v32 s PHE 10 Ca -0.02 -1.11 -0.32 0.00 -0.96 0.00 0.00 56.93 54.52 1v32 s PHE 10 Cb -0.14 0.17 -0.17 0.00 -0.34 0.00 0.00 43.02 42.54 1v32 s PHE 10 CO 0.02 -1.22 0.84 0.39 -1.46 0.00 0.00 175.22 173.79 1v32 n GLU 11 N -0.54 0.38 -1.55 10.12 1.02 -1.26 -4.50 120.64 124.31 1v32 n GLU 11 Ca -0.02 0.13 0.03 0.00 -0.02 0.00 0.00 57.16 57.29 1v32 n GLU 11 Cb 0.61 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.62 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 0.72 -4.07 -2.44 -0.32 3.01 -1.26 -4.45 117.46 108.64 1v32 n PHE 12 Ca 0.17 2.21 -0.43 0.00 1.01 0.00 0.00 57.45 60.41 1v32 n PHE 12 Cb 0.21 -3.46 0.00 0.00 -0.01 0.00 0.00 39.48 36.23 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 -2.91 4.04 0.00 -4.37 0.31 -0.44 -4.75 118.33 110.21 1v32 n VAL 13 Ca -0.02 -4.13 0.00 0.00 -0.01 0.00 0.00 64.34 60.18 1v32 n VAL 13 Cb 0.50 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 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 4.07 0.75 0.18 2.92 0.00 -1.26 -4.16 105.19 107.68 1v32 n GLY 14 Ca 0.44 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.15 1.61 4.27 -1.26 -5.03 117.44 113.88 1v32 n TRP 15 Ca 0.00 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.43 1v32 n TRP 15 Cb 0.00 -0.19 0.05 0.00 -1.36 0.00 0.00 31.31 29.81 1v32 n TRP 15 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1v32 n GLY 16 N 3.16 2.08 3.88 -1.67 0.00 -1.26 -1.63 105.19 109.74 1v32 n GLY 16 Ca -0.09 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 43.40 1v32 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v32 s SER 17 N -4.06 6.58 0.32 1.61 0.15 -1.22 -1.33 113.70 115.75 1v32 s SER 17 Ca 0.49 0.97 0.05 0.00 0.70 0.00 0.00 55.95 58.17 1v32 s SER 17 Cb -0.04 -2.25 0.86 0.00 -1.71 0.00 0.00 66.02 62.88 1v32 s SER 17 CO 0.31 -0.20 1.55 -1.14 1.20 0.00 0.00 173.24 174.96 1v32 n ARG 18 N -0.64 -0.08 0.00 5.44 0.63 -1.26 -0.91 116.66 119.84 1v32 n ARG 18 Ca 0.01 1.46 0.00 0.00 -0.92 0.00 0.00 57.85 58.40 1v32 n ARG 18 Cb 0.53 -2.37 0.00 0.00 0.45 0.00 0.00 32.46 31.07 1v32 n ARG 18 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1v32 n GLN 19 N -5.44 0.00 -0.36 -0.14 3.00 -1.26 0.19 117.38 113.37 1v32 n GLN 19 Ca 0.26 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.28 1v32 n GLN 19 Cb 0.85 -0.32 0.10 0.00 0.00 0.00 0.00 30.24 30.88 1v32 n GLN 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1v32 n LEU 20 N 0.00 -0.46 -0.33 1.08 7.94 -1.12 0.11 117.00 124.22 1v32 n LEU 20 Ca 0.00 1.69 -0.02 0.00 -1.11 0.00 0.00 56.01 56.57 1v32 n LEU 20 Cb 0.00 -0.46 0.04 0.00 0.53 0.00 0.00 43.42 43.52 1v32 n LEU 20 CO 0.00 -1.58 0.60 0.40 -1.11 0.00 0.00 177.39 175.70 1v32 h ILE 21 N 0.00 0.05 -0.29 1.96 1.08 -0.71 1.10 117.51 120.70 1v32 h ILE 21 Ca 0.42 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.88 1v32 h ILE 21 Cb 0.66 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1v32 h ILE 21 CO -0.99 0.00 0.15 -0.33 -0.69 0.00 0.00 178.15 176.29 1v32 h GLU 22 N -0.05 0.41 -0.62 2.37 5.08 0.93 0.47 114.58 123.17 1v32 h GLU 22 Ca 0.32 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.71 1v32 h GLU 22 Cb 0.59 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1v32 h GLU 22 CO -0.90 0.37 0.42 0.35 -1.00 0.00 0.00 179.01 178.24 1v32 h PHE 23 N 0.34 0.53 0.04 4.33 3.04 0.18 0.25 116.94 125.66 1v32 h PHE 23 Ca 0.10 0.01 -0.25 0.00 3.98 0.00 0.00 57.97 61.82 1v32 h PHE 23 Cb 0.08 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 1v32 h PHE 23 CO -0.03 0.27 -1.20 -0.07 -2.02 0.00 0.00 178.31 175.26 1v32 h LEU 24 N 0.51 0.15 -0.06 0.59 3.38 0.16 -3.07 115.31 116.97 1v32 h LEU 24 Ca 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1v32 h LEU 24 Cb 0.43 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1v32 h LEU 24 CO -0.08 1.14 0.01 0.45 0.09 0.00 0.00 178.44 180.05 1v32 h HIS 25 N 0.03 0.09 0.50 1.13 3.86 0.19 0.26 115.15 121.21 1v32 h HIS 25 Ca -0.10 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 1v32 h HIS 25 Cb 1.87 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 30.30 1v32 h HIS 25 CO 0.02 0.29 -0.46 0.66 0.86 0.00 0.00 177.93 179.30 1v32 h SER 26 N -0.13 -1.24 -1.46 2.45 4.64 -0.70 -0.86 113.55 116.26 1v32 h SER 26 Ca 0.02 0.09 0.46 0.00 -0.47 0.00 0.00 61.79 61.89 1v32 h SER 26 Cb 0.24 0.40 -0.11 0.00 -0.31 0.00 0.00 62.40 62.62 1v32 h SER 26 CO 0.00 -0.62 0.98 -0.07 -0.87 0.00 0.00 176.83 176.25 1v32 h LEU 27 N -0.95 0.17 0.00 5.97 3.38 -1.55 -3.43 115.31 118.90 1v32 h LEU 27 Ca -0.06 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1v32 h LEU 27 Cb 0.81 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1v32 h LEU 27 CO -0.03 -0.13 0.00 0.61 0.09 0.00 0.00 178.44 178.98 1v32 n GLY 28 N -1.63 1.29 3.77 0.83 0.00 -0.33 -5.10 105.19 104.04 1v32 n GLY 28 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.29 2.91 -0.63 1.61 -0.14 0.89 -4.98 119.74 119.12 1v32 s LYS 29 Ca 0.00 1.42 -0.17 0.00 -1.36 0.00 0.00 55.97 55.86 1v32 s LYS 29 Cb 0.00 -1.96 0.14 0.00 -1.68 0.00 0.00 37.83 34.33 1v32 s LYS 29 CO 0.00 -1.17 0.64 0.16 -0.76 0.00 0.00 175.35 174.22 1v32 s ASP 30 N -2.47 6.32 -0.26 2.83 1.47 -1.26 -4.52 116.67 118.77 1v32 s ASP 30 Ca 0.68 -1.87 -0.06 0.00 1.18 0.00 0.00 52.55 52.48 1v32 s ASP 30 Cb -0.21 -2.25 -0.16 0.00 -0.34 0.00 0.00 42.92 39.97 1v32 s ASP 30 CO 0.39 -0.89 3.32 0.35 0.68 0.00 0.00 175.17 179.01 1v32 n THR 31 N 5.11 3.24 -0.04 2.11 -2.24 -1.26 -4.39 114.28 116.80 1v32 n THR 31 Ca -0.06 -2.06 -0.06 0.00 -2.27 0.00 0.00 64.05 59.60 1v32 n THR 31 Cb 0.42 -1.93 -0.06 0.00 -2.10 0.00 0.00 70.33 66.67 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 3.17 -0.03 -3.94 3.42 0.02 -2.02 -3.46 113.55 110.71 1v32 h SER 32 Ca 0.30 -0.39 -0.68 0.00 -0.84 0.00 0.00 61.79 60.18 1v32 h SER 32 Cb 1.19 0.01 -0.28 0.00 0.14 0.00 0.00 62.40 63.46 1v32 h SER 32 CO 0.54 0.65 -0.82 -1.61 -1.14 0.00 0.00 176.83 174.44 1v32 s GLU 33 N -2.04 2.66 -0.50 3.45 2.02 -1.26 -5.04 118.70 118.00 1v32 s GLU 33 Ca -0.08 -0.79 -0.42 0.00 0.02 0.00 0.00 54.97 53.69 1v32 s GLU 33 Cb -0.01 -2.32 -0.18 0.00 0.10 0.00 0.00 34.13 31.72 1v32 s GLU 33 CO 0.30 0.45 2.08 -0.12 0.02 0.00 0.00 175.26 177.99 1v32 n MET 34 N 2.80 0.00 -2.64 1.61 0.00 -1.26 -4.87 117.12 112.76 1v32 n MET 34 Ca -0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 57.70 57.20 1v32 n MET 34 Cb 0.52 -1.45 -0.05 0.00 0.00 0.00 0.00 33.22 32.25 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 5.89 4.52 0.28 1.12 1.01 -1.26 -5.03 121.20 127.73 1v32 s ILE 35 Ca 1.16 1.24 -0.28 0.00 0.00 0.00 0.00 60.65 62.77 1v32 s ILE 35 Cb -1.44 -3.67 -0.09 0.00 0.01 0.00 0.00 42.46 37.27 1v32 s ILE 35 CO 0.63 -0.51 0.97 -0.44 0.00 0.00 0.00 174.94 175.60 1v32 s SER 36 N -2.71 7.43 0.31 3.58 0.01 -1.26 -4.93 113.70 116.12 1v32 s SER 36 Ca 0.59 1.97 0.05 0.00 1.31 0.00 0.00 55.95 59.86 1v32 s SER 36 Cb -0.10 -2.60 0.81 0.00 0.21 0.00 0.00 66.02 64.35 1v32 s SER 36 CO 0.24 -0.01 1.62 -0.09 0.41 0.00 0.00 173.24 175.41 1v32 h ARG 37 N 3.66 0.12 0.10 12.44 9.65 -1.96 0.12 114.38 138.52 1v32 h ARG 37 Ca -0.46 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.43 1v32 h ARG 37 Cb 1.20 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.71 1v32 h ARG 37 CO 0.66 0.08 -0.42 -0.92 2.80 0.00 0.00 179.97 182.17 1v32 h TYR 38 N 0.13 -1.19 -0.30 2.20 5.03 -1.94 0.24 116.97 121.13 1v32 h TYR 38 Ca 0.61 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.98 1v32 h TYR 38 Cb 1.31 0.51 -0.05 0.00 1.55 0.00 0.00 36.73 40.04 1v32 h TYR 38 CO -0.29 -0.52 -0.31 -0.44 -1.32 0.00 0.00 178.16 175.28 1v32 h ASP 39 N -0.64 -1.06 -0.29 -2.11 5.19 -1.14 0.35 116.42 116.73 1v32 h ASP 39 Ca 0.02 0.15 0.04 0.00 -0.62 0.00 0.00 57.03 56.62 1v32 h ASP 39 Cb 0.68 0.44 -0.07 0.00 0.18 0.00 0.00 39.33 40.56 1v32 h ASP 39 CO -0.26 -0.20 -0.55 0.58 -3.12 0.00 0.00 179.24 175.70 1v32 h VAL 40 N -0.16 0.01 -0.63 -1.35 2.07 -1.21 0.04 116.25 115.02 1v32 h VAL 40 Ca 0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1v32 h VAL 40 Cb 0.30 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 29.99 1v32 h VAL 40 CO -0.37 0.00 -0.41 -1.28 0.02 0.00 0.00 177.57 175.53 1v32 h SER 41 N -0.48 -1.47 -0.80 0.57 0.87 0.58 0.70 113.55 113.51 1v32 h SER 41 Ca 0.06 0.22 0.18 0.00 -1.23 0.00 0.00 61.79 61.02 1v32 h SER 41 Cb 0.64 0.65 -0.14 0.00 -0.44 0.00 0.00 62.40 63.10 1v32 h SER 41 CO -0.53 -0.18 -0.03 -0.78 -0.53 0.00 0.00 176.83 174.78 1v32 h ASP 42 N -0.04 -0.45 -1.00 6.23 3.58 0.48 1.06 116.42 126.28 1v32 h ASP 42 Ca 0.10 0.22 0.03 0.00 0.42 0.00 0.00 57.03 57.80 1v32 h ASP 42 Cb 0.30 0.40 -0.06 0.00 1.72 0.00 0.00 39.33 41.70 1v32 h ASP 42 CO -0.62 -0.22 0.66 0.74 -2.88 0.00 0.00 179.24 176.92 1v32 h THR 43 N 0.07 1.20 -0.04 2.25 2.02 0.20 0.12 112.91 118.73 1v32 h THR 43 Ca 0.44 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1v32 h THR 43 Cb 0.77 -0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1v32 h THR 43 CO -0.74 0.24 0.01 0.40 0.37 0.00 0.00 175.52 175.79 1v32 h ILE 44 N 1.30 1.21 -0.43 3.11 2.04 0.61 0.24 117.51 125.59 1v32 h ILE 44 Ca 0.39 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.69 1v32 h ILE 44 Cb -0.05 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 1v32 h ILE 44 CO -0.11 0.17 0.02 0.00 0.00 0.00 0.00 178.15 178.23 1v32 h ALA 45 N 0.76 0.41 0.22 1.87 0.00 0.40 0.96 119.26 123.89 1v32 h ALA 45 Ca 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1v32 h ALA 45 Cb 0.27 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1v32 h ALA 45 CO 0.00 -0.38 -0.10 -0.22 0.00 0.00 0.00 179.25 178.55 1v32 h LYS 46 N 0.13 -0.28 -0.49 0.00 3.64 -0.83 -2.44 116.57 116.30 1v32 h LYS 46 Ca 0.21 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 1v32 h LYS 46 Cb 0.30 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.13 1v32 h LYS 46 CO -0.34 -0.14 0.14 -0.92 -2.27 0.00 0.00 179.45 175.92 1v32 h TYR 47 N -0.36 0.24 -0.59 1.91 3.20 0.31 0.68 116.97 122.37 1v32 h TYR 47 Ca -0.03 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.99 1v32 h TYR 47 Cb 0.27 -0.04 -0.11 0.00 1.54 0.00 0.00 36.73 38.40 1v32 h TYR 47 CO -0.04 0.05 -0.11 0.82 -1.64 0.00 0.00 178.16 177.24 1v32 h ILE 48 N 0.30 0.44 -0.27 1.81 2.04 0.12 0.14 117.51 122.08 1v32 h ILE 48 Ca 0.24 -0.01 -0.18 0.00 1.00 0.00 0.00 64.86 65.91 1v32 h ILE 48 Cb 0.28 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1v32 h ILE 48 CO -0.27 0.00 -0.54 -1.28 0.00 0.00 0.00 178.15 176.06 1v32 h SER 49 N 0.03 0.89 -0.04 1.72 0.87 -0.80 0.88 113.55 117.09 1v32 h SER 49 Ca 0.29 -0.47 0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1v32 h SER 49 Cb 0.45 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1v32 h SER 49 CO -0.58 1.25 -0.26 0.50 -0.53 0.00 0.00 176.83 177.21 1v32 h LYS 50 N 0.62 -0.29 -0.04 2.24 3.64 0.28 -3.07 116.57 119.95 1v32 h LYS 50 Ca 0.02 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1v32 h LYS 50 Cb 1.13 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1v32 h LYS 50 CO 0.12 -0.19 -0.13 0.93 -2.27 0.00 0.00 179.45 177.91 1v32 h GLU 51 N -0.30 0.15 0.00 1.90 4.39 -0.95 -3.49 114.58 116.29 1v32 h GLU 51 Ca 0.01 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1v32 h GLU 51 Cb 0.33 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1v32 h GLU 51 CO -0.20 0.74 0.00 0.41 -1.16 0.00 0.00 179.01 178.81 1v32 n GLY 52 N 0.61 0.70 0.19 -3.84 0.00 0.25 -5.02 105.19 98.08 1v32 n GLY 52 Ca -0.08 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -9.15 0.99 4.07 -0.15 -3.46 115.31 107.60 1v32 h LEU 53 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 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 0.23 -1.86 0.18 -1.08 0.00 0.00 178.44 175.91 1v32 n LEU 54 N -3.18 -4.26 -4.45 1.67 4.77 -1.26 0.12 117.00 110.40 1v32 n LEU 54 Ca 0.03 0.13 -0.33 0.00 -0.03 0.00 0.00 56.01 55.81 1v32 n LEU 54 Cb 0.59 -0.77 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 1v32 n LEU 54 CO 0.36 -4.65 -0.47 -0.62 -1.33 0.00 0.00 177.39 170.69 1v32 s ASP 55 N -1.19 3.91 0.36 -1.43 2.15 -1.21 -4.36 116.67 114.89 1v32 s ASP 55 Ca 0.42 -0.24 0.19 0.00 0.43 0.00 0.00 52.55 53.35 1v32 s ASP 55 Cb -0.11 -0.83 0.51 0.00 -0.30 0.00 0.00 42.92 42.19 1v32 s ASP 55 CO 0.76 0.33 1.65 1.55 -0.17 0.00 0.00 175.17 179.29 1v32 h PRO 56 N 5.44 0.00 0.00 4.34 0.13 -1.95 -1.66 132.00 138.30 1v32 h PRO 56 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1v32 h PRO 56 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1v32 h PRO 56 CO 0.50 0.38 -0.05 1.03 -0.23 0.00 0.00 178.00 179.64 1v32 h SER 57 N 0.00 0.00 -0.19 1.44 0.87 -2.00 -3.43 113.55 110.25 1v32 h SER 57 Ca -0.00 -0.00 0.24 0.00 -1.23 0.00 0.00 61.79 60.79 1v32 h SER 57 Cb 1.04 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.82 1v32 h SER 57 CO 0.05 0.00 0.04 0.21 -0.53 0.00 0.00 176.83 176.60 1v32 s ASN 58 N -5.60 -0.30 0.48 6.23 2.47 -1.07 -5.01 114.94 112.13 1v32 s ASN 58 Ca 0.08 0.05 0.17 0.00 0.42 0.00 0.00 52.86 53.58 1v32 s ASN 58 Cb 0.08 1.19 1.17 0.00 -1.45 0.00 0.00 41.25 42.24 1v32 s ASN 58 CO 0.65 -0.05 2.02 0.11 -3.72 0.00 0.00 177.10 176.11 1v32 h LYS 59 N 7.25 0.21 -0.55 0.43 1.57 -1.59 0.22 116.57 124.11 1v32 h LYS 59 Ca -0.10 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.83 1v32 h LYS 59 Cb 1.17 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1v32 h LYS 59 CO -0.12 0.14 0.53 0.87 -0.57 0.00 0.00 179.45 180.30 1v32 h LYS 60 N 0.22 0.00 -6.81 3.15 1.79 -1.95 -3.41 116.57 109.57 1v32 h LYS 60 Ca 0.21 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.24 1v32 h LYS 60 Cb 0.54 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.23 1v32 h LYS 60 CO -0.04 0.00 -0.05 0.15 -1.08 0.00 0.00 179.45 178.43 1v32 s LYS 61 N -4.70 2.51 -0.17 3.15 1.02 0.79 -1.68 119.74 120.66 1v32 s LYS 61 Ca -0.04 -0.88 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 1v32 s LYS 61 Cb 0.17 -2.51 0.08 0.00 -0.52 0.00 0.00 37.83 35.05 1v32 s LYS 61 CO 0.60 -0.72 0.21 0.08 -0.92 0.00 0.00 175.35 174.60 1v32 s VAL 62 N -2.74 -0.32 -0.03 3.17 1.01 0.11 -3.35 120.40 118.26 1v32 s VAL 62 Ca 0.58 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 1v32 s VAL 62 Cb -0.10 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1v32 s VAL 62 CO 0.38 -0.11 1.04 0.68 0.00 0.00 0.00 175.10 177.10 1v32 s VAL 63 N 2.33 4.65 0.19 2.92 -7.23 0.31 -0.13 120.40 123.44 1v32 s VAL 63 Ca 0.05 1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 61.84 1v32 s VAL 63 Cb -0.15 -4.23 -0.08 0.00 0.56 0.00 0.00 36.38 32.49 1v32 s VAL 63 CO -0.10 0.09 1.04 0.00 -0.31 0.00 0.00 175.10 175.82 1v32 n ASP 65 N 2.16 1.90 0.08 0.00 2.03 -1.26 -4.82 116.55 116.64 1v32 n ASP 65 Ca 0.01 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.73 1v32 n ASP 65 Cb 0.47 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 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 -4.39 0.00 -0.21 -0.67 4.81 -1.26 -4.89 118.16 111.55 1v32 n LYS 66 Ca -0.36 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.10 1v32 n LYS 66 Cb 0.70 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.87 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 0.24 -0.63 1.64 3.08 -1.99 0.26 114.38 116.98 1v32 h ARG 67 Ca 0.00 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1v32 h ARG 67 Cb 0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1v32 h ARG 67 CO 0.00 0.16 0.04 -0.07 -1.07 0.00 0.00 179.97 179.03 1v32 h LEU 68 N 0.25 1.04 0.50 3.04 3.38 -1.94 -2.57 115.31 119.00 1v32 h LEU 68 Ca 0.33 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1v32 h LEU 68 Cb 0.52 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1v32 h LEU 68 CO -0.44 1.06 -0.37 0.58 0.09 0.00 0.00 178.44 179.37 1v32 h VAL 69 N 0.99 0.00 -1.17 1.22 2.07 -0.99 1.01 116.25 119.38 1v32 h VAL 69 Ca 0.18 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.04 1v32 h VAL 69 Cb 0.51 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1v32 h VAL 69 CO 0.02 0.00 0.93 -0.07 0.02 0.00 0.00 177.57 178.48 1v32 h LEU 70 N -0.84 0.00 0.00 2.57 4.07 -0.60 1.48 115.31 122.00 1v32 h LEU 70 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1v32 h LEU 70 Cb 0.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1v32 h LEU 70 CO 0.03 0.00 0.00 -0.11 -1.08 0.00 0.00 178.44 177.28 1v32 n LEU 71 N -3.93 0.74 -0.04 1.67 7.94 -0.27 -4.73 117.00 118.39 1v32 n LEU 71 Ca 0.25 0.38 -0.00 0.00 -1.11 0.00 0.00 56.01 55.53 1v32 n LEU 71 Cb 1.31 -0.37 -0.00 0.00 0.53 0.00 0.00 43.42 44.89 1v32 n LEU 71 CO 0.37 -0.37 0.00 -0.26 -1.11 0.00 0.00 177.39 176.02 1v32 h PHE 72 N 0.00 -0.01 0.00 1.96 0.04 0.17 -3.46 116.94 115.65 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 -0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1v32 n GLY 73 N 1.78 1.10 3.96 -1.45 0.00 0.50 -4.99 105.19 106.10 1v32 n GLY 73 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 4.94 -0.15 2.61 -4.23 -1.26 -4.96 115.64 110.59 1v32 s THR 74 Ca 0.00 -1.03 0.20 0.00 -1.18 0.00 0.00 61.69 59.68 1v32 s THR 74 Cb 0.00 -3.73 -0.14 0.00 1.34 0.00 0.00 72.50 69.97 1v32 s THR 74 CO 0.00 -0.29 0.76 -1.14 -0.54 0.00 0.00 174.62 173.41 1v32 n ARG 75 N -1.44 0.63 -3.90 3.99 3.00 -1.26 -4.37 116.66 113.31 1v32 n ARG 75 Ca -0.07 0.08 -0.11 0.00 -0.00 0.00 0.00 57.85 57.75 1v32 n ARG 75 Cb 0.57 -1.73 -0.11 0.00 0.00 0.00 0.00 32.46 31.19 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 -3.17 0.07 0.00 5.15 -4.23 -1.26 0.19 115.64 112.39 1v32 s THR 76 Ca -0.04 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1v32 s THR 76 Cb 0.10 -0.29 0.00 0.00 1.34 0.00 0.00 72.50 73.65 1v32 s THR 76 CO 0.83 -0.30 0.00 2.30 -0.54 0.00 0.00 174.62 176.90 1v32 n ILE 77 N 1.97 0.00 -4.68 2.99 -5.35 0.81 -4.90 119.36 110.21 1v32 n ILE 77 Ca -0.20 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.00 1v32 n ILE 77 Cb 0.57 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.30 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 -3.03 2.01 0.64 4.28 0.08 -1.26 0.07 117.98 120.76 1v32 s PHE 78 Ca 0.00 -0.88 0.33 0.00 0.12 0.00 0.00 56.93 56.50 1v32 s PHE 78 Cb 0.00 -1.42 1.81 0.00 -0.57 0.00 0.00 43.02 42.84 1v32 s PHE 78 CO 0.00 -0.42 2.08 -0.09 -0.10 0.00 0.00 175.22 176.69 1v32 h ARG 79 N 7.13 0.00 -0.01 0.44 2.43 -1.56 1.05 114.38 123.85 1v32 h ARG 79 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1v32 h ARG 79 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1v32 h ARG 79 CO 0.48 0.00 -0.24 0.00 -1.51 0.00 0.00 179.97 178.70 1v32 n MET 80 N -3.30 1.31 -0.00 0.20 0.00 -1.26 -3.83 117.12 110.24 1v32 n MET 80 Ca -0.00 -0.94 0.07 0.00 0.00 0.00 0.00 57.70 56.83 1v32 n MET 80 Cb 0.32 -1.48 -0.11 0.00 0.00 0.00 0.00 33.22 31.95 1v32 n MET 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1v32 n LYS 81 N -0.02 1.03 -0.17 3.17 4.76 0.34 -4.57 118.16 122.71 1v32 n LYS 81 Ca 0.13 -0.09 -0.14 0.00 -2.87 0.00 0.00 58.31 55.34 1v32 n LYS 81 Cb 0.42 -1.31 -0.10 0.00 -1.84 0.00 0.00 35.03 32.21 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 0.00 0.00 -0.23 -0.18 2.07 -1.08 1.46 116.25 118.29 1v32 h VAL 82 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1v32 h VAL 82 Cb 0.58 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 1v32 h VAL 82 CO 0.00 0.00 -0.51 0.22 0.02 0.00 0.00 177.57 177.30 1v32 h TYR 83 N -0.36 -1.54 -0.16 1.57 5.03 -1.82 -1.16 116.97 118.54 1v32 h TYR 83 Ca 0.08 0.07 0.05 0.00 2.58 0.00 0.00 58.73 61.51 1v32 h TYR 83 Cb 0.58 0.70 -0.06 0.00 1.55 0.00 0.00 36.73 39.51 1v32 h TYR 83 CO -0.75 -0.49 -0.20 0.22 -1.32 0.00 0.00 178.16 175.61 1v32 h ASP 84 N -0.48 -0.63 -1.15 -2.11 1.82 -1.58 0.84 116.42 113.13 1v32 h ASP 84 Ca 0.04 0.11 0.44 0.00 -0.39 0.00 0.00 57.03 57.23 1v32 h ASP 84 Cb 0.60 0.29 -0.16 0.00 0.68 0.00 0.00 39.33 40.74 1v32 h ASP 84 CO -0.47 -0.25 0.67 -0.07 -1.61 0.00 0.00 179.24 177.52 1v32 h LEU 85 N -0.24 0.29 -8.28 2.28 3.38 0.30 -3.23 115.31 109.79 1v32 h LEU 85 Ca 0.11 0.22 -0.43 0.00 0.09 0.00 0.00 57.88 57.86 1v32 h LEU 85 Cb 0.40 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1v32 h LEU 85 CO -0.30 -0.35 1.07 -0.76 0.09 0.00 0.00 178.44 178.19 1v32 s LEU 86 N -10.11 3.26 0.02 1.67 1.43 0.29 -4.18 118.68 111.06 1v32 s LEU 86 Ca -0.08 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1v32 s LEU 86 Cb 0.33 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1v32 s LEU 86 CO 0.80 -2.31 0.00 1.21 0.23 0.00 0.00 176.35 176.28 1v32 n GLU 87 N 9.00 0.00 0.00 1.70 4.07 -1.22 -4.85 120.64 129.34 1v32 n GLU 87 Ca 0.30 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.55 1v32 n GLU 87 Cb 0.49 0.00 0.89 0.00 -0.06 0.00 0.00 31.44 32.76 1v32 n GLU 87 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1v32 n LYS 88 N -2.56 0.97 -0.99 5.31 5.02 -1.26 -2.87 118.16 121.78 1v32 n LYS 88 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1v32 n LYS 88 Cb 0.00 -1.48 0.20 0.00 -0.02 0.00 0.00 35.03 33.73 1v32 n LYS 88 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1v32 n HIS 89 N -0.98 2.05 -3.70 2.13 8.25 -1.26 -4.75 115.22 116.96 1v32 n HIS 89 Ca 0.22 -1.64 -0.13 0.00 -0.26 0.00 0.00 57.72 55.92 1v32 n HIS 89 Cb 0.10 -0.70 -0.07 0.00 1.12 0.00 0.00 29.99 30.44 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 -3.23 -0.24 -2.08 4.41 1.51 -1.14 -3.37 117.35 113.21 1v32 s TYR 90 Ca 0.51 0.28 0.16 0.00 -1.01 0.00 0.00 57.07 57.01 1v32 s TYR 90 Cb 0.44 0.17 0.81 0.00 -0.11 0.00 0.00 41.96 43.27 1v32 s TYR 90 CO 0.06 -0.50 1.54 1.17 -1.11 0.00 0.00 175.55 176.72 1v32 n LYS 91 N 0.82 1.28 -2.97 -0.62 4.81 -0.65 -4.24 118.16 116.59 1v32 n LYS 91 Ca -0.20 -0.42 -0.40 0.00 -0.87 0.00 0.00 58.31 56.43 1v32 n LYS 91 Cb 0.58 -1.28 -0.00 0.00 0.02 0.00 0.00 35.03 34.34 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 -0.33 4.39 0.00 1.64 1.02 -1.26 -4.85 120.64 121.26 1v32 n GLU 92 Ca 0.13 -4.62 0.00 0.00 -0.02 0.00 0.00 57.16 52.65 1v32 n GLU 92 Cb 0.15 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 1v32 n GLU 92 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1v32 n ASN 93 N 0.85 0.00 -3.61 1.62 5.15 -1.26 -5.04 115.26 112.97 1v32 n ASN 93 Ca 0.32 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 54.15 1v32 n ASN 93 Cb 0.33 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.51 1v32 n ASN 93 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1v32 s GLN 94 N 0.00 0.85 0.00 1.20 -0.21 -1.26 -5.03 119.66 115.21 1v32 s GLN 94 Ca 0.00 0.82 0.00 0.00 0.02 0.00 0.00 55.36 56.20 1v32 s GLN 94 Cb 0.00 0.41 0.00 0.00 1.00 0.00 0.00 33.01 34.42 1v32 s GLN 94 CO 0.00 -0.14 0.00 -0.25 -2.12 0.00 0.00 175.29 172.78 1v32 n ASP 95 N 2.30 0.00 -3.46 5.90 8.00 -1.26 -5.14 116.55 122.89 1v32 n ASP 95 Ca -0.15 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.21 1v32 n ASP 95 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 1v32 n ASP 95 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1v32 s SER 96 N 0.00 -0.59 0.00 -2.24 0.15 -1.26 -5.18 113.70 104.58 1v32 s SER 96 Ca 0.00 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1v32 s SER 96 Cb 0.00 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1v32 s SER 96 CO 0.00 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1v32 n GLY 97 N 0.08 -0.21 0.12 9.45 0.00 -1.26 -4.96 105.19 108.42 1v32 n GLY 97 Ca -0.18 -1.37 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.23 -0.71 1.61 0.13 -2.06 -3.49 132.00 127.25 1v32 h PRO 98 Ca 0.00 0.02 0.20 0.00 -0.87 0.00 0.00 66.00 65.35 1v32 h PRO 98 Cb 0.00 0.05 -0.26 0.00 0.13 0.00 0.00 31.00 30.92 1v32 h PRO 98 CO 0.00 -0.16 0.38 0.45 -0.23 0.00 0.00 178.00 178.45 1v32 s SER 99 N -4.46 -0.35 0.30 1.44 0.15 -1.26 -5.15 113.70 104.36 1v32 s SER 99 Ca -0.04 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1v32 s SER 99 Cb 0.00 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 1v32 s SER 99 CO 0.11 -0.07 0.00 -0.24 1.20 0.00 0.00 173.24 174.24 1v32 n SER 100 N 4.62 -5.84 -0.89 5.45 2.88 -1.26 -5.33 113.62 113.25 1v32 n SER 100 Ca -0.09 0.59 0.11 0.00 -1.33 0.00 0.00 58.87 58.15 1v32 n SER 100 Cb 0.54 -3.48 0.09 0.00 -0.75 0.00 0.00 64.21 60.61 1v32 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42