#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 -0.38 -0.13 1.61 1.04 -1.26 -5.15 113.70 109.44 1v32 s SER 2 Ca 0.00 0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.48 1v32 s SER 2 Cb 0.00 1.26 0.06 0.00 0.10 0.00 0.00 66.02 67.44 1v32 s SER 2 CO 0.00 -0.07 0.15 -0.44 0.98 0.00 0.00 173.24 173.86 1v32 s SER 3 N 2.96 1.25 0.20 7.02 0.01 -1.26 -5.05 113.70 118.83 1v32 s SER 3 Ca 0.19 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1v32 s SER 3 Cb -0.04 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1v32 s SER 3 CO -0.19 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1v32 n GLY 4 N 5.31 -5.50 3.36 3.44 0.00 -1.26 -4.61 105.19 105.92 1v32 n GLY 4 Ca -0.05 -0.16 -0.54 0.00 0.00 0.00 0.00 46.02 45.27 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 1.98 1.35 -3.75 1.61 3.41 -1.26 -4.88 113.62 112.08 1v32 n SER 5 Ca 0.00 0.50 -0.11 0.00 -0.26 0.00 0.00 58.87 59.01 1v32 n SER 5 Cb 0.00 -1.07 -0.07 0.00 -0.26 0.00 0.00 64.21 62.81 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 6.92 -0.09 0.00 4.04 1.04 -1.26 -5.16 113.70 119.19 1v32 s SER 6 Ca 1.16 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1v32 s SER 6 Cb -1.18 0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.32 1v32 s SER 6 CO 0.57 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1v32 n GLY 7 N 0.26 -0.06 3.17 7.32 0.00 -1.26 -5.08 105.19 109.54 1v32 n GLY 7 Ca -0.17 -1.41 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.20 -1.37 -2.37 1.61 5.02 -1.26 -4.91 118.16 113.69 1v32 n LYS 8 Ca 0.00 1.39 -0.41 0.00 -2.02 0.00 0.00 58.31 57.27 1v32 n LYS 8 Cb 0.00 -5.23 -0.03 0.00 -0.02 0.00 0.00 35.03 29.75 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 -3.29 4.48 0.33 1.97 3.00 -1.26 -5.02 118.95 119.16 1v32 s ARG 9 Ca 0.00 1.88 -0.01 0.00 0.00 0.00 0.00 55.73 57.60 1v32 s ARG 9 Cb -0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 34.95 31.70 1v32 s ARG 9 CO 0.77 -0.11 0.42 0.12 0.00 0.00 0.00 175.30 176.50 1v32 s PHE 10 N 0.03 1.17 -0.42 -0.53 5.36 -1.26 -5.09 117.98 117.24 1v32 s PHE 10 Ca 0.53 -1.35 -0.41 0.00 -0.96 0.00 0.00 56.93 54.74 1v32 s PHE 10 Cb -0.33 -0.22 -0.17 0.00 -0.34 0.00 0.00 43.02 41.96 1v32 s PHE 10 CO 0.36 -1.05 2.01 0.39 -1.46 0.00 0.00 175.22 175.47 1v32 n GLU 11 N -0.55 0.48 -1.64 10.12 1.02 -1.26 -4.33 120.64 124.49 1v32 n GLU 11 Ca 0.02 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1v32 n GLU 11 Cb 0.62 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 7.24 -4.41 -2.84 -0.32 3.01 -1.26 -4.77 117.46 114.12 1v32 n PHE 12 Ca 0.43 2.38 -0.42 0.00 1.01 0.00 0.00 57.45 60.85 1v32 n PHE 12 Cb 0.06 -3.62 -0.04 0.00 -0.01 0.00 0.00 39.48 35.87 1v32 n PHE 12 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1v32 s VAL 13 N -4.93 4.81 0.00 -4.37 -7.23 -0.98 -4.73 120.40 102.97 1v32 s VAL 13 Ca 0.00 1.68 0.00 0.00 -1.81 0.00 0.00 61.98 61.85 1v32 s VAL 13 Cb 0.00 -4.16 0.00 0.00 0.56 0.00 0.00 36.38 32.78 1v32 s VAL 13 CO 0.00 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1v32 n GLY 14 N 3.61 0.89 0.95 2.32 0.00 -1.26 -3.33 105.19 108.37 1v32 n GLY 14 Ca 0.07 0.42 -0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.27 1.61 4.27 -1.26 -5.08 117.44 115.71 1v32 n TRP 15 Ca 0.00 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.50 1v32 n TRP 15 Cb 0.00 -0.03 0.08 0.00 -1.36 0.00 0.00 31.31 30.00 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 3.33 -1.41 3.85 -1.67 0.00 -1.21 -3.71 105.19 104.37 1v32 n GLY 16 Ca -0.01 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.76 6.82 0.34 1.61 0.15 -0.11 -2.32 113.70 117.42 1v32 s SER 17 Ca 0.27 1.19 0.12 0.00 0.70 0.00 0.00 55.95 58.23 1v32 s SER 17 Cb -0.01 -2.33 1.06 0.00 -1.71 0.00 0.00 66.02 63.02 1v32 s SER 17 CO 0.19 -0.06 1.55 -1.14 1.20 0.00 0.00 173.24 174.98 1v32 n ARG 18 N 0.18 -0.07 0.00 5.44 0.63 -1.26 -1.46 116.66 120.13 1v32 n ARG 18 Ca -0.00 1.41 0.00 0.00 -0.92 0.00 0.00 57.85 58.34 1v32 n ARG 18 Cb 0.52 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 31.04 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 -5.34 0.00 -0.34 -0.14 3.00 -1.26 0.19 117.38 113.49 1v32 n GLN 19 Ca 0.31 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.27 1v32 n GLN 19 Cb 1.03 -0.34 0.01 0.00 0.00 0.00 0.00 30.24 30.93 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 -0.62 -0.33 1.08 7.94 -1.10 0.17 117.00 124.14 1v32 n LEU 20 Ca 0.00 1.50 0.01 0.00 -1.11 0.00 0.00 56.01 56.41 1v32 n LEU 20 Cb 0.00 -0.32 0.07 0.00 0.53 0.00 0.00 43.42 43.71 1v32 n LEU 20 CO 0.00 -1.32 0.63 0.40 -1.11 0.00 0.00 177.39 175.99 1v32 h ILE 21 N 0.00 0.06 0.35 1.96 1.08 -1.04 0.42 117.51 120.34 1v32 h ILE 21 Ca 0.27 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.73 1v32 h ILE 21 Cb 0.48 0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1v32 h ILE 21 CO -0.84 0.00 -0.22 -0.33 -0.69 0.00 0.00 178.15 176.07 1v32 h GLU 22 N -0.02 -0.52 -1.03 2.37 5.08 1.23 0.57 114.58 122.25 1v32 h GLU 22 Ca 0.37 0.04 0.26 0.00 -1.00 0.00 0.00 59.36 59.03 1v32 h GLU 22 Cb 0.63 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.90 1v32 h GLU 22 CO -0.93 -0.35 0.66 0.35 -1.00 0.00 0.00 179.01 177.74 1v32 h PHE 23 N -0.54 0.72 0.14 4.33 3.04 0.11 0.57 116.94 125.30 1v32 h PHE 23 Ca -0.04 0.02 -0.30 0.00 3.98 0.00 0.00 57.97 61.64 1v32 h PHE 23 Cb 0.45 -0.21 0.03 0.00 2.56 0.00 0.00 35.95 38.78 1v32 h PHE 23 CO -0.09 0.07 -1.27 -0.07 -2.02 0.00 0.00 178.31 174.93 1v32 h LEU 24 N 0.43 0.79 -0.35 0.59 3.38 0.32 -2.81 115.31 117.66 1v32 h LEU 24 Ca 0.60 -0.76 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1v32 h LEU 24 Cb 1.45 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1v32 h LEU 24 CO -0.32 1.57 0.21 0.45 0.09 0.00 0.00 178.44 180.44 1v32 h HIS 25 N 0.22 0.40 0.58 1.13 3.86 0.42 0.62 115.15 122.39 1v32 h HIS 25 Ca -0.19 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.01 1v32 h HIS 25 Cb 1.95 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 30.29 1v32 h HIS 25 CO 0.11 0.24 -0.32 0.77 0.86 0.00 0.00 177.93 179.58 1v32 h SER 26 N 0.43 -0.80 -1.79 2.45 0.02 -0.17 -1.78 113.55 111.93 1v32 h SER 26 Ca 0.14 0.04 0.53 0.00 -0.84 0.00 0.00 61.79 61.66 1v32 h SER 26 Cb -0.01 0.22 -0.09 0.00 0.14 0.00 0.00 62.40 62.66 1v32 h SER 26 CO -0.05 -0.51 1.26 -0.07 -1.14 0.00 0.00 176.83 176.31 1v32 h LEU 27 N -0.83 0.05 0.00 5.07 3.38 -1.42 -3.42 115.31 118.13 1v32 h LEU 27 Ca -0.08 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1v32 h LEU 27 Cb 0.66 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1v32 h LEU 27 CO 0.10 -0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1v32 n GLY 28 N -1.82 1.32 3.77 0.83 0.00 -0.67 -5.10 105.19 103.53 1v32 n GLY 28 Ca 0.42 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.34 4.09 -0.50 1.61 -0.14 0.21 -4.98 119.74 119.69 1v32 s LYS 29 Ca 0.00 1.73 -0.17 0.00 -1.36 0.00 0.00 55.97 56.17 1v32 s LYS 29 Cb 0.00 -2.64 0.07 0.00 -1.68 0.00 0.00 37.83 33.58 1v32 s LYS 29 CO 0.00 -0.26 0.52 0.16 -0.76 0.00 0.00 175.35 175.01 1v32 s ASP 30 N -1.27 6.18 -0.37 2.83 1.47 -1.26 -4.23 116.67 120.02 1v32 s ASP 30 Ca 0.57 -1.20 -0.03 0.00 1.18 0.00 0.00 52.55 53.07 1v32 s ASP 30 Cb -0.28 -2.24 0.10 0.00 -0.34 0.00 0.00 42.92 40.16 1v32 s ASP 30 CO 0.35 -0.80 2.54 0.35 0.68 0.00 0.00 175.17 178.29 1v32 n THR 31 N 5.40 3.09 0.02 2.11 -2.24 -1.26 -4.40 114.28 117.00 1v32 n THR 31 Ca -0.10 -2.37 -0.19 0.00 -2.27 0.00 0.00 64.05 59.12 1v32 n THR 31 Cb 0.44 -1.52 -0.09 0.00 -2.10 0.00 0.00 70.33 67.05 1v32 n THR 31 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1v32 h SER 32 N 2.40 0.91 -4.12 3.42 0.87 -2.04 -3.45 113.55 111.55 1v32 h SER 32 Ca 0.34 -0.70 -0.56 0.00 -1.23 0.00 0.00 61.79 59.64 1v32 h SER 32 Cb 0.85 -0.28 -0.30 0.00 -0.44 0.00 0.00 62.40 62.23 1v32 h SER 32 CO 0.79 1.48 -0.84 -1.83 -0.53 0.00 0.00 176.83 175.90 1v32 s GLU 33 N -3.46 1.63 -0.90 2.24 -1.05 -1.26 -5.04 118.70 110.86 1v32 s GLU 33 Ca -0.10 -0.63 -0.24 0.00 -0.15 0.00 0.00 54.97 53.84 1v32 s GLU 33 Cb 0.07 -1.49 -0.22 0.00 -0.44 0.00 0.00 34.13 32.06 1v32 s GLU 33 CO 0.91 0.32 2.34 -0.12 0.95 0.00 0.00 175.26 179.66 1v32 n MET 34 N 2.89 0.00 -2.06 -4.83 0.00 -1.26 -4.83 117.12 107.03 1v32 n MET 34 Ca -0.16 0.00 -0.34 0.00 -0.00 0.00 0.00 57.70 57.20 1v32 n MET 34 Cb 0.53 -1.27 0.02 0.00 0.00 0.00 0.00 33.22 32.50 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 6.71 3.39 0.21 1.12 1.01 -1.26 -5.00 121.20 127.39 1v32 s ILE 35 Ca 1.21 0.74 -0.29 0.00 0.00 0.00 0.00 60.65 62.31 1v32 s ILE 35 Cb -1.07 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 1v32 s ILE 35 CO 0.45 -0.31 0.90 -0.44 0.00 0.00 0.00 174.94 175.54 1v32 s SER 36 N -2.31 7.58 0.08 3.58 0.01 -1.26 -4.98 113.70 116.39 1v32 s SER 36 Ca 0.68 1.86 -0.29 0.00 1.31 0.00 0.00 55.95 59.52 1v32 s SER 36 Cb -0.20 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.32 1v32 s SER 36 CO 0.34 0.16 1.45 -0.09 0.41 0.00 0.00 173.24 175.51 1v32 h ARG 37 N 4.28 -0.67 -0.88 12.44 2.43 -1.99 -1.18 114.38 128.81 1v32 h ARG 37 Ca -0.45 0.05 0.35 0.00 -0.81 0.00 0.00 59.98 59.11 1v32 h ARG 37 Cb 1.20 0.15 -0.16 0.00 -0.42 0.00 0.00 29.97 30.74 1v32 h ARG 37 CO 0.68 -0.44 0.40 0.66 -1.51 0.00 0.00 179.97 179.76 1v32 n TYR 38 N -4.93 0.96 0.09 2.20 4.01 -1.26 0.18 117.16 118.42 1v32 n TYR 38 Ca -0.08 1.04 -0.13 0.00 -0.16 0.00 0.00 57.90 58.57 1v32 n TYR 38 Cb 0.35 -1.41 -0.08 0.00 -0.31 0.00 0.00 39.34 37.90 1v32 n TYR 38 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1v32 h ASP 39 N 0.00 -0.17 0.30 7.72 3.32 -1.63 -1.15 116.42 124.81 1v32 h ASP 39 Ca 0.71 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.64 1v32 h ASP 39 Cb 1.84 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 41.40 1v32 h ASP 39 CO -0.70 0.02 -0.52 0.58 -1.72 0.00 0.00 179.24 176.91 1v32 h VAL 40 N -0.35 0.00 -0.74 -1.35 2.07 0.26 0.41 116.25 116.56 1v32 h VAL 40 Ca -0.02 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.64 1v32 h VAL 40 Cb 0.28 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.91 1v32 h VAL 40 CO 0.03 0.00 -0.27 0.77 0.02 0.00 0.00 177.57 178.12 1v32 h SER 41 N -0.87 -0.99 -0.81 0.57 4.64 -0.98 0.92 113.55 116.02 1v32 h SER 41 Ca -0.03 0.24 0.13 0.00 -0.47 0.00 0.00 61.79 61.66 1v32 h SER 41 Cb 0.81 0.56 -0.09 0.00 -0.31 0.00 0.00 62.40 63.37 1v32 h SER 41 CO -0.18 -0.28 0.41 -0.78 -0.87 0.00 0.00 176.83 175.13 1v32 h ASP 42 N -0.06 0.51 0.28 4.97 3.58 -0.50 0.71 116.42 125.91 1v32 h ASP 42 Ca 0.32 0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.78 1v32 h ASP 42 Cb 0.57 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1v32 h ASP 42 CO -0.78 0.24 -0.30 0.74 -2.88 0.00 0.00 179.24 176.25 1v32 h THR 43 N 0.62 1.23 0.19 2.25 2.02 0.28 -0.98 112.91 118.53 1v32 h THR 43 Ca 0.43 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1v32 h THR 43 Cb 0.57 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1v32 h THR 43 CO -0.34 0.32 -0.09 0.40 0.37 0.00 0.00 175.52 176.18 1v32 h ILE 44 N 0.04 0.47 -0.94 3.11 2.04 0.38 0.16 117.51 122.78 1v32 h ILE 44 Ca 0.00 -1.03 0.23 0.00 1.00 0.00 0.00 64.86 65.07 1v32 h ILE 44 Cb 0.56 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 1v32 h ILE 44 CO 0.04 0.13 0.63 0.00 0.00 0.00 0.00 178.15 178.95 1v32 h ALA 45 N -0.69 2.34 -0.00 1.87 0.00 0.23 0.82 119.26 123.83 1v32 h ALA 45 Ca -0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1v32 h ALA 45 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1v32 h ALA 45 CO 0.04 -0.65 -0.13 -0.22 0.00 0.00 0.00 179.25 178.29 1v32 h LYS 46 N 0.33 0.10 -0.33 0.00 3.64 -1.18 -3.18 116.57 115.94 1v32 h LYS 46 Ca 0.49 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.81 1v32 h LYS 46 Cb 1.36 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.18 1v32 h LYS 46 CO -0.17 0.84 0.12 -0.92 -2.27 0.00 0.00 179.45 177.05 1v32 h TYR 47 N -0.61 0.22 -0.52 1.91 3.20 0.17 0.97 116.97 122.32 1v32 h TYR 47 Ca -0.02 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1v32 h TYR 47 Cb 0.88 -0.05 -0.10 0.00 1.54 0.00 0.00 36.73 39.00 1v32 h TYR 47 CO 0.18 0.10 -0.47 0.82 -1.64 0.00 0.00 178.16 177.16 1v32 h ILE 48 N 0.27 0.07 -0.40 1.81 2.04 0.45 0.78 117.51 122.53 1v32 h ILE 48 Ca 0.15 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.86 1v32 h ILE 48 Cb 0.11 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1v32 h ILE 48 CO -0.14 0.00 -0.32 -1.28 0.00 0.00 0.00 178.15 176.41 1v32 h SER 49 N -0.28 0.95 -0.41 1.72 0.87 -1.46 1.54 113.55 116.49 1v32 h SER 49 Ca 0.15 -0.40 0.04 0.00 -1.23 0.00 0.00 61.79 60.34 1v32 h SER 49 Cb 0.57 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 1v32 h SER 49 CO -0.65 1.18 -0.30 0.50 -0.53 0.00 0.00 176.83 177.03 1v32 h LYS 50 N 0.76 -0.07 -0.03 2.24 1.63 0.32 -2.51 116.57 118.90 1v32 h LYS 50 Ca 0.08 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 1v32 h LYS 50 Cb 0.89 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.54 1v32 h LYS 50 CO 0.08 -0.05 -0.30 0.93 -3.45 0.00 0.00 179.45 176.66 1v32 h GLU 51 N -0.08 0.26 0.00 1.90 4.39 -1.09 -3.48 114.58 116.48 1v32 h GLU 51 Ca 0.07 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1v32 h GLU 51 Cb 0.25 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1v32 h GLU 51 CO -0.42 0.92 0.00 0.41 -1.16 0.00 0.00 179.01 178.76 1v32 n GLY 52 N 0.86 0.98 0.24 -3.84 0.00 0.11 -5.02 105.19 98.52 1v32 n GLY 52 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1v32 n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1v32 h LEU 53 N 0.00 0.00 -9.43 0.99 4.07 0.17 -3.46 115.31 107.66 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 0.03 -1.58 0.18 -1.08 0.00 0.00 178.44 175.99 1v32 n LEU 54 N -3.11 -2.60 -4.49 1.67 4.77 -1.25 0.18 117.00 112.16 1v32 n LEU 54 Ca 0.03 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.68 1v32 n LEU 54 Cb 0.45 -0.84 -0.13 0.00 -2.33 0.00 0.00 43.42 40.58 1v32 n LEU 54 CO 0.32 -3.28 -0.45 -0.62 -1.33 0.00 0.00 177.39 172.03 1v32 s ASP 55 N -1.54 4.10 0.18 -1.43 2.15 -1.25 -4.33 116.67 114.55 1v32 s ASP 55 Ca 0.49 -0.20 0.02 0.00 0.43 0.00 0.00 52.55 53.29 1v32 s ASP 55 Cb -0.07 -0.87 0.05 0.00 -0.30 0.00 0.00 42.92 41.73 1v32 s ASP 55 CO 0.68 0.34 1.41 1.55 -0.17 0.00 0.00 175.17 178.98 1v32 h PRO 56 N 5.21 0.24 -0.07 4.34 0.13 -1.96 -1.78 132.00 138.11 1v32 h PRO 56 Ca -0.47 -0.23 -0.09 0.00 -0.87 0.00 0.00 66.00 64.34 1v32 h PRO 56 Cb 1.16 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1v32 h PRO 56 CO 0.50 0.93 -0.37 1.03 -0.23 0.00 0.00 178.00 179.87 1v32 h SER 57 N 0.15 0.15 -0.71 1.44 0.87 -2.01 -3.41 113.55 110.03 1v32 h SER 57 Ca -0.04 -0.06 0.11 0.00 -1.23 0.00 0.00 61.79 60.58 1v32 h SER 57 Cb 1.41 -0.04 -0.20 0.00 -0.44 0.00 0.00 62.40 63.12 1v32 h SER 57 CO 0.13 0.51 -0.21 0.21 -0.53 0.00 0.00 176.83 176.94 1v32 s ASN 58 N -6.89 -1.13 0.42 6.23 2.47 -1.17 -5.01 114.94 109.85 1v32 s ASN 58 Ca -0.04 0.23 0.12 0.00 0.42 0.00 0.00 52.86 53.59 1v32 s ASN 58 Cb 0.14 1.76 0.97 0.00 -1.45 0.00 0.00 41.25 42.66 1v32 s ASN 58 CO 0.75 -0.21 1.97 0.11 -3.72 0.00 0.00 177.10 176.00 1v32 h LYS 59 N 7.77 0.47 -0.86 0.43 1.57 -1.57 0.18 116.57 124.56 1v32 h LYS 59 Ca -0.07 -0.03 0.25 0.00 -1.87 0.00 0.00 60.65 58.93 1v32 h LYS 59 Cb 1.18 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 1v32 h LYS 59 CO 0.06 0.31 0.77 0.87 -0.57 0.00 0.00 179.45 180.90 1v32 h LYS 60 N 0.49 0.00 0.00 3.15 1.79 -1.95 -3.40 116.57 116.64 1v32 h LYS 60 Ca 0.30 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.30 1v32 h LYS 60 Cb 0.52 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.24 1v32 h LYS 60 CO -0.09 0.00 0.08 1.63 -1.08 0.00 0.00 179.45 179.99 1v32 n LYS 61 N -3.82 0.04 -3.84 3.15 5.02 0.63 -3.30 118.16 116.05 1v32 n LYS 61 Ca 0.18 -2.83 -0.12 0.00 -2.02 0.00 0.00 58.31 53.52 1v32 n LYS 61 Cb 1.06 -0.58 -0.12 0.00 -0.02 0.00 0.00 35.03 35.38 1v32 n LYS 61 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1v32 s VAL 62 N -3.01 0.02 -0.36 -0.18 1.01 0.10 -3.78 120.40 114.22 1v32 s VAL 62 Ca 0.66 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 1v32 s VAL 62 Cb -0.04 -0.27 0.08 0.00 0.00 0.00 0.00 36.38 36.15 1v32 s VAL 62 CO 0.43 -0.11 0.10 -0.69 0.00 0.00 0.00 175.10 174.84 1v32 s VAL 63 N -0.34 3.11 0.56 2.92 1.01 0.46 -1.12 120.40 127.00 1v32 s VAL 63 Ca -0.04 -1.77 -0.21 0.00 0.00 0.00 0.00 61.98 59.96 1v32 s VAL 63 Cb -0.03 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1v32 s VAL 63 CO 0.01 -0.43 1.22 0.00 0.00 0.00 0.00 175.10 175.90 1v32 n ASP 65 N -0.92 1.68 0.00 0.00 -0.08 -1.26 -4.88 116.55 111.09 1v32 n ASP 65 Ca 0.12 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 1v32 n ASP 65 Cb 0.45 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 43.25 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 -4.14 0.00 -0.03 -0.67 4.81 -1.26 -4.90 118.16 111.96 1v32 n LYS 66 Ca -0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.07 1v32 n LYS 66 Cb 0.63 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.65 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 -0.10 -0.66 1.64 3.08 -1.99 0.33 114.38 116.68 1v32 h ARG 67 Ca 0.00 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1v32 h ARG 67 Cb 0.00 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1v32 h ARG 67 CO 0.00 -0.06 0.34 -0.07 -1.07 0.00 0.00 179.97 179.11 1v32 h LEU 68 N -0.10 0.83 0.82 3.04 3.38 -1.94 -2.07 115.31 119.27 1v32 h LEU 68 Ca 0.11 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1v32 h LEU 68 Cb 0.27 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1v32 h LEU 68 CO -0.26 0.69 -0.39 0.58 0.09 0.00 0.00 178.44 179.14 1v32 h VAL 69 N 0.93 0.18 -0.46 1.22 2.07 -1.34 0.81 116.25 119.66 1v32 h VAL 69 Ca 0.23 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.85 1v32 h VAL 69 Cb 0.06 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1v32 h VAL 69 CO -0.03 0.00 0.57 -0.07 0.02 0.00 0.00 177.57 178.06 1v32 h LEU 70 N -1.12 0.00 0.00 2.57 3.38 -0.16 1.48 115.31 121.45 1v32 h LEU 70 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1v32 h LEU 70 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1v32 h LEU 70 CO 0.18 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.60 1v32 n LEU 71 N -3.51 0.68 -0.06 1.67 7.94 -0.53 -4.75 117.00 118.44 1v32 n LEU 71 Ca 0.09 0.30 -0.05 0.00 -1.11 0.00 0.00 56.01 55.24 1v32 n LEU 71 Cb 0.75 -0.36 -0.04 0.00 0.53 0.00 0.00 43.42 44.30 1v32 n LEU 71 CO 0.25 -0.36 0.06 -0.26 -1.11 0.00 0.00 177.39 175.97 1v32 h PHE 72 N 0.00 0.00 0.00 1.96 0.04 0.99 -3.46 116.94 116.47 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 0.31 0.00 0.41 -0.60 0.00 0.00 178.31 178.43 1v32 n GLY 73 N 1.71 0.88 3.93 -1.45 0.00 0.50 -4.99 105.19 105.78 1v32 n GLY 73 Ca -0.04 0.00 -0.25 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 4.92 -0.08 2.61 -4.23 -1.26 -4.93 115.64 110.67 1v32 s THR 74 Ca 0.00 -0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 60.21 1v32 s THR 74 Cb 0.00 -3.82 -0.27 0.00 1.34 0.00 0.00 72.50 69.75 1v32 s THR 74 CO 0.00 -0.63 0.52 -0.09 -0.54 0.00 0.00 174.62 173.88 1v32 h ARG 75 N 0.54 0.26 -5.14 3.99 9.65 -1.95 -3.39 114.38 118.34 1v32 h ARG 75 Ca -0.48 -0.45 -0.41 0.00 -1.10 0.00 0.00 59.98 57.54 1v32 h ARG 75 Cb 1.22 0.17 -0.25 0.00 -1.39 0.00 0.00 29.97 29.72 1v32 h ARG 75 CO 0.61 1.14 -0.78 0.95 2.80 0.00 0.00 179.97 184.69 1v32 s THR 76 N -2.57 0.98 0.31 0.20 -4.23 -1.26 0.17 115.64 109.23 1v32 s THR 76 Ca -0.18 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 1v32 s THR 76 Cb 0.06 -0.90 -0.01 0.00 1.34 0.00 0.00 72.50 73.00 1v32 s THR 76 CO 0.80 -0.04 0.42 0.27 -0.54 0.00 0.00 174.62 175.54 1v32 s ILE 77 N -0.86 0.00 -0.21 2.99 -4.36 -0.28 -4.94 121.20 113.55 1v32 s ILE 77 Ca 0.00 -1.63 -0.11 0.00 -0.26 0.00 0.00 60.65 58.66 1v32 s ILE 77 Cb -0.08 -2.53 -0.05 0.00 1.25 0.00 0.00 42.46 41.06 1v32 s ILE 77 CO 0.01 0.00 0.17 -0.36 0.24 0.00 0.00 174.94 175.00 1v32 s PHE 78 N -3.40 3.39 0.63 1.37 0.40 -1.26 0.02 117.98 119.13 1v32 s PHE 78 Ca 0.30 0.35 0.33 0.00 -0.60 0.00 0.00 56.93 57.31 1v32 s PHE 78 Cb 0.01 -2.23 1.86 0.00 0.51 0.00 0.00 43.02 43.16 1v32 s PHE 78 CO 0.17 0.21 2.12 -0.09 0.70 0.00 0.00 175.22 178.33 1v32 h ARG 79 N 6.94 0.00 -0.21 0.44 2.43 -1.82 0.84 114.38 123.01 1v32 h ARG 79 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1v32 h ARG 79 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1v32 h ARG 79 CO 0.73 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.86 1v32 n MET 80 N -3.36 2.37 -0.04 0.20 2.81 -1.26 -4.04 117.12 113.80 1v32 n MET 80 Ca -0.01 -2.03 0.01 0.00 -1.81 0.00 0.00 57.70 53.87 1v32 n MET 80 Cb 0.28 -1.49 -0.13 0.00 -0.71 0.00 0.00 33.22 31.17 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 1.33 0.93 -0.15 0.03 5.02 0.28 -4.61 118.16 120.98 1v32 n LYS 81 Ca 0.17 -0.09 -0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1v32 n LYS 81 Cb 0.58 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 34.15 1v32 n LYS 81 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1v32 h VAL 82 N 0.00 0.00 -0.98 -0.18 2.07 -1.34 1.52 116.25 117.34 1v32 h VAL 82 Ca -0.19 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.46 1v32 h VAL 82 Cb 1.31 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.93 1v32 h VAL 82 CO 0.01 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.17 1v32 n TYR 83 N -3.83 -0.09 0.22 1.57 9.36 -1.26 -0.24 117.16 122.89 1v32 n TYR 83 Ca 0.01 1.21 -0.15 0.00 3.32 0.00 0.00 57.90 62.29 1v32 n TYR 83 Cb 0.10 -0.79 -0.08 0.00 -0.63 0.00 0.00 39.34 37.93 1v32 n TYR 83 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1v32 h ASP 84 N 0.00 -0.43 -0.98 2.98 1.82 -1.05 -2.36 116.42 116.41 1v32 h ASP 84 Ca 0.29 0.01 0.29 0.00 -0.39 0.00 0.00 57.03 57.23 1v32 h ASP 84 Cb 0.54 0.11 -0.18 0.00 0.68 0.00 0.00 39.33 40.48 1v32 h ASP 84 CO -0.96 -0.30 0.14 -0.07 -1.61 0.00 0.00 179.24 176.44 1v32 h LEU 85 N -0.51 -0.29 -8.84 2.28 3.38 0.52 -3.32 115.31 108.53 1v32 h LEU 85 Ca -0.05 0.27 -0.57 0.00 0.09 0.00 0.00 57.88 57.61 1v32 h LEU 85 Cb 0.39 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1v32 h LEU 85 CO 0.08 -0.35 1.17 -0.76 0.09 0.00 0.00 178.44 178.68 1v32 s LEU 86 N -10.87 3.55 0.04 1.67 1.43 0.49 -4.32 118.68 110.67 1v32 s LEU 86 Ca -0.12 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1v32 s LEU 86 Cb 0.30 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1v32 s LEU 86 CO 0.78 -1.56 0.00 1.21 0.23 0.00 0.00 176.35 177.01 1v32 n GLU 87 N 8.24 0.00 0.09 1.70 4.07 -1.25 -4.90 120.64 128.60 1v32 n GLU 87 Ca 0.20 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.41 1v32 n GLU 87 Cb 0.47 0.00 0.45 0.00 -0.06 0.00 0.00 31.44 32.31 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 -2.45 0.16 0.00 5.31 -0.00 -1.26 -1.62 118.16 118.30 1v32 n LYS 88 Ca 0.00 0.32 0.13 0.00 -0.00 0.00 0.00 58.31 58.76 1v32 n LYS 88 Cb 0.00 -1.77 0.42 0.00 -0.00 0.00 0.00 35.03 33.67 1v32 n LYS 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1v32 n HIS 89 N -2.07 0.00 -4.73 5.58 8.25 -1.26 -4.72 115.22 116.26 1v32 n HIS 89 Ca 0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 1v32 n HIS 89 Cb 0.27 -0.32 -0.14 0.00 1.12 0.00 0.00 29.99 30.92 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 -2.92 2.84 0.00 4.41 2.02 -0.64 -0.94 117.35 122.11 1v32 s TYR 90 Ca 0.14 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1v32 s TYR 90 Cb 0.18 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.92 1v32 s TYR 90 CO 0.61 -0.09 0.00 1.17 -1.57 0.00 0.00 175.55 175.67 1v32 n LYS 91 N 3.27 2.88 -2.25 -0.62 4.81 -1.24 -4.79 118.16 120.21 1v32 n LYS 91 Ca -0.18 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 56.93 1v32 n LYS 91 Cb 0.53 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.54 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 0.00 3.01 0.58 1.64 2.02 -1.26 -4.94 118.70 119.74 1v32 s GLU 92 Ca 0.00 -1.12 -0.08 0.00 0.02 0.00 0.00 54.97 53.80 1v32 s GLU 92 Cb 0.00 -5.28 -0.02 0.00 0.10 0.00 0.00 34.13 28.93 1v32 s GLU 92 CO 0.00 -3.17 0.92 1.21 0.02 0.00 0.00 175.26 174.24 1v32 s ASN 93 N 6.15 5.98 -1.27 -0.19 3.84 -1.26 -4.95 114.94 123.24 1v32 s ASN 93 Ca 0.62 1.03 -0.19 0.00 0.21 0.00 0.00 52.86 54.53 1v32 s ASN 93 Cb -0.01 -2.13 0.04 0.00 -0.55 0.00 0.00 41.25 38.60 1v32 s ASN 93 CO 0.05 -0.88 1.77 -1.10 -2.79 0.00 0.00 177.10 174.15 1v32 s GLN 94 N -5.01 3.66 0.00 0.43 -1.52 -1.26 -3.37 119.66 112.59 1v32 s GLN 94 Ca 0.52 -1.80 0.00 0.00 -1.95 0.00 0.00 55.36 52.14 1v32 s GLN 94 Cb -0.11 -5.47 0.00 0.00 -0.22 0.00 0.00 33.01 27.21 1v32 s GLN 94 CO 0.48 -2.63 0.00 -3.47 -0.25 0.00 0.00 175.29 169.42 1v32 n ASP 95 N 9.70 0.00 0.00 5.90 -0.08 -1.26 -5.03 116.55 125.78 1v32 n ASP 95 Ca 0.48 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 1v32 n ASP 95 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1v32 n ASP 95 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1v32 n SER 96 N 0.00 0.00 0.00 1.67 7.64 -1.22 -4.43 113.62 117.28 1v32 n SER 96 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1v32 n SER 96 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1v32 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v32 n GLY 97 N 0.00 1.63 0.47 0.23 0.00 -1.26 -3.64 105.19 102.63 1v32 n GLY 97 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -0.72 -3.77 1.61 -0.04 -1.26 -5.12 135.00 125.70 1v32 n PRO 98 Ca 0.00 -0.25 -0.36 0.00 -0.04 0.00 0.00 63.50 62.85 1v32 n PRO 98 Cb 0.00 -0.19 -0.07 0.00 -0.04 0.00 0.00 33.50 33.20 1v32 n PRO 98 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1v32 s SER 99 N -1.75 6.39 -0.35 3.54 0.01 -1.24 -5.05 113.70 115.24 1v32 s SER 99 Ca 0.09 0.46 0.07 0.00 1.31 0.00 0.00 55.95 57.88 1v32 s SER 99 Cb -0.01 -2.10 0.19 0.00 0.21 0.00 0.00 66.02 64.31 1v32 s SER 99 CO 0.07 0.31 0.59 -0.55 0.41 0.00 0.00 173.24 174.07 1v32 s SER 100 N -0.51 -1.37 0.00 2.44 0.15 -1.26 -5.23 113.70 107.93 1v32 s SER 100 Ca 0.14 -0.36 0.07 0.00 0.70 0.00 0.00 55.95 56.50 1v32 s SER 100 Cb -0.12 1.90 0.40 0.00 -1.71 0.00 0.00 66.02 66.48 1v32 s SER 100 CO 0.03 -0.24 0.86 0.61 1.20 0.00 0.00 173.24 175.70