#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 4.34 0.44 1.61 0.01 -1.26 -5.08 113.70 113.76 1v32 s SER 2 Ca 0.00 0.86 0.08 0.00 1.31 0.00 0.00 55.95 58.20 1v32 s SER 2 Cb 0.00 -1.39 0.01 0.00 0.21 0.00 0.00 66.02 64.85 1v32 s SER 2 CO 0.00 -2.02 0.55 -0.94 0.41 0.00 0.00 173.24 171.25 1v32 s SER 3 N -4.43 5.46 0.00 2.44 1.04 -1.26 -5.12 113.70 111.84 1v32 s SER 3 Ca 0.62 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1v32 s SER 3 Cb -0.12 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.49 1v32 s SER 3 CO 0.50 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1v32 n GLY 4 N -1.83 5.32 3.14 7.32 0.00 -1.26 -5.19 105.19 112.70 1v32 n GLY 4 Ca 0.08 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 1v32 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v32 s SER 5 N 1.00 0.35 -0.40 1.61 1.04 -1.26 -5.13 113.70 110.92 1v32 s SER 5 Ca 0.00 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 55.49 1v32 s SER 5 Cb 0.00 0.26 0.11 0.00 0.10 0.00 0.00 66.02 66.49 1v32 s SER 5 CO 0.00 -0.67 0.13 -0.94 0.98 0.00 0.00 173.24 172.73 1v32 s SER 6 N -2.94 4.51 -0.12 7.02 1.04 -1.26 -5.08 113.70 116.87 1v32 s SER 6 Ca 0.11 -2.39 0.01 0.00 0.48 0.00 0.00 55.95 54.16 1v32 s SER 6 Cb 0.07 -1.54 -0.01 0.00 0.10 0.00 0.00 66.02 64.65 1v32 s SER 6 CO -0.07 -0.33 -0.17 -0.83 0.98 0.00 0.00 173.24 172.81 1v32 s GLY 7 N 0.58 1.46 -0.19 7.32 0.00 -1.26 -5.10 107.32 110.12 1v32 s GLY 7 Ca 0.13 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 43.73 1v32 s GLY 7 CO -0.07 -0.23 0.52 0.54 0.00 0.00 0.00 173.10 173.86 1v32 s LYS 8 N 0.38 4.21 -0.25 2.90 -0.14 -1.26 -5.05 119.74 120.54 1v32 s LYS 8 Ca -0.14 0.43 -0.05 0.00 -1.36 0.00 0.00 55.97 54.85 1v32 s LYS 8 Cb -0.17 -3.55 -0.01 0.00 -1.68 0.00 0.00 37.83 32.43 1v32 s LYS 8 CO 0.07 -0.11 0.01 1.03 -0.76 0.00 0.00 175.35 175.58 1v32 s ARG 9 N 1.52 3.32 0.51 1.68 3.00 -1.26 -5.09 118.95 122.62 1v32 s ARG 9 Ca 0.24 -0.68 0.02 0.00 0.00 0.00 0.00 55.73 55.31 1v32 s ARG 9 Cb -0.15 -3.15 -0.01 0.00 0.00 0.00 0.00 34.95 31.63 1v32 s ARG 9 CO 0.10 -0.27 0.03 0.12 0.00 0.00 0.00 175.30 175.28 1v32 s PHE 10 N 1.50 1.87 -0.73 -0.53 5.36 -1.26 -5.06 117.98 119.13 1v32 s PHE 10 Ca 0.05 -0.94 -0.26 0.00 -0.96 0.00 0.00 56.93 54.82 1v32 s PHE 10 Cb -0.15 -1.64 0.01 0.00 -0.34 0.00 0.00 43.02 40.89 1v32 s PHE 10 CO -0.01 0.19 1.58 -2.00 -1.46 0.00 0.00 175.22 173.52 1v32 s GLU 11 N -3.90 2.95 0.42 10.12 2.56 -1.26 -4.97 118.70 124.62 1v32 s GLU 11 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 54.97 54.83 1v32 s GLU 11 Cb 0.02 -4.44 -0.09 0.00 2.00 0.00 0.00 34.13 31.62 1v32 s GLU 11 CO 0.05 -2.48 1.05 -0.06 -0.56 0.00 0.00 175.26 173.25 1v32 s PHE 12 N 7.32 3.20 -1.24 5.30 0.40 -1.26 -4.89 117.98 126.81 1v32 s PHE 12 Ca 0.51 1.62 -0.11 0.00 -0.60 0.00 0.00 56.93 58.36 1v32 s PHE 12 Cb -0.09 -3.11 0.17 0.00 0.51 0.00 0.00 43.02 40.50 1v32 s PHE 12 CO 0.14 -0.68 1.65 0.28 0.70 0.00 0.00 175.22 177.30 1v32 n VAL 13 N -0.30 4.33 0.00 -0.44 0.31 -1.00 -4.83 118.33 116.40 1v32 n VAL 13 Ca 0.06 -4.61 0.00 0.00 -0.01 0.00 0.00 64.34 59.78 1v32 n VAL 13 Cb 0.50 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 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 3.39 0.84 0.04 2.92 0.00 -1.26 -4.34 105.19 106.78 1v32 n GLY 14 Ca 0.38 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.61 1.61 4.27 -1.26 -4.96 117.44 112.48 1v32 n TRP 15 Ca 0.00 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.32 1v32 n TRP 15 Cb 0.00 -0.49 -0.10 0.00 -1.36 0.00 0.00 31.31 29.36 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 -4.14 2.64 0.57 -1.67 0.00 -1.26 0.18 107.32 103.64 1v32 s GLY 16 Ca -0.06 -1.75 -0.18 0.00 0.00 0.00 0.00 44.72 42.73 1v32 s GLY 16 CO 0.53 -2.11 1.10 -0.45 0.00 0.00 0.00 173.10 172.16 1v32 s SER 17 N -3.78 5.67 0.26 1.64 0.15 -1.25 -2.37 113.70 114.02 1v32 s SER 17 Ca 0.27 2.03 -0.01 0.00 0.70 0.00 0.00 55.95 58.95 1v32 s SER 17 Cb 0.07 -2.56 0.58 0.00 -1.71 0.00 0.00 66.02 62.39 1v32 s SER 17 CO 0.14 -1.25 1.70 -0.09 1.20 0.00 0.00 173.24 174.95 1v32 h ARG 18 N 0.83 0.37 -0.07 5.44 2.43 -1.90 0.81 114.38 122.29 1v32 h ARG 18 Ca -0.49 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1v32 h ARG 18 Cb 1.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1v32 h ARG 18 CO 0.57 0.24 -0.05 1.96 -1.51 0.00 0.00 179.97 181.18 1v32 h GLN 19 N 0.38 -0.01 0.48 0.20 4.20 -1.91 1.55 115.11 119.99 1v32 h GLN 19 Ca 0.48 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.17 1v32 h GLN 19 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1v32 h GLN 19 CO -0.49 -0.01 -0.26 1.25 -0.67 0.00 0.00 178.83 178.65 1v32 h LEU 20 N -0.01 -0.63 -0.99 1.46 5.85 -1.76 -1.26 115.31 117.97 1v32 h LEU 20 Ca 0.01 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.89 1v32 h LEU 20 Cb 0.04 0.18 -0.15 0.00 0.37 0.00 0.00 40.66 41.10 1v32 h LEU 20 CO -0.07 -0.42 -0.45 -0.38 -0.34 0.00 0.00 178.44 176.77 1v32 n ILE 21 N -5.40 -0.57 0.04 4.05 2.08 0.23 0.10 119.36 119.90 1v32 n ILE 21 Ca -0.11 2.34 -0.11 0.00 0.56 0.00 0.00 62.75 65.43 1v32 n ILE 21 Cb 0.30 -3.03 -0.04 0.00 -0.75 0.00 0.00 39.64 36.11 1v32 n ILE 21 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1v32 h GLU 22 N 0.00 -0.30 -0.94 0.38 5.08 0.25 1.29 114.58 120.34 1v32 h GLU 22 Ca 0.29 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.80 1v32 h GLU 22 Cb 0.53 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 1v32 h GLU 22 CO -0.97 -0.20 0.60 0.35 -1.00 0.00 0.00 179.01 177.79 1v32 h PHE 23 N -0.31 0.97 0.01 4.33 3.57 0.10 0.17 116.94 125.79 1v32 h PHE 23 Ca 0.07 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.40 1v32 h PHE 23 Cb 0.40 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1v32 h PHE 23 CO -0.26 0.37 -0.90 -0.07 -2.23 0.00 0.00 178.31 175.22 1v32 h LEU 24 N 0.84 0.20 0.80 0.59 3.38 0.18 -3.03 115.31 118.27 1v32 h LEU 24 Ca 0.47 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 1v32 h LEU 24 Cb 0.60 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1v32 h LEU 24 CO -0.23 1.00 -0.39 0.45 0.09 0.00 0.00 178.44 179.36 1v32 h HIS 25 N 0.08 -1.00 -0.16 1.13 3.86 0.43 1.42 115.15 120.90 1v32 h HIS 25 Ca -0.04 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1v32 h HIS 25 Cb 1.55 0.33 -0.04 0.00 1.06 0.00 0.00 27.41 30.31 1v32 h HIS 25 CO 0.02 -0.62 -0.26 1.03 0.86 0.00 0.00 177.93 178.96 1v32 h SER 26 N -1.15 -0.87 -1.85 2.45 0.87 -0.99 0.70 113.55 112.71 1v32 h SER 26 Ca -0.11 0.11 0.54 0.00 -1.23 0.00 0.00 61.79 61.10 1v32 h SER 26 Cb 0.83 0.35 -0.07 0.00 -0.44 0.00 0.00 62.40 63.06 1v32 h SER 26 CO 0.18 -0.20 1.37 -0.07 -0.53 0.00 0.00 176.83 177.58 1v32 h LEU 27 N -0.21 0.00 0.00 2.23 3.38 -1.58 -3.42 115.31 115.71 1v32 h LEU 27 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1v32 h LEU 27 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1v32 h LEU 27 CO -0.26 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.88 1v32 n GLY 28 N -1.90 1.09 3.63 0.83 0.00 0.24 -5.06 105.19 104.03 1v32 n GLY 28 Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.49 4.00 0.07 1.61 -0.14 0.48 -4.96 119.74 120.30 1v32 s LYS 29 Ca 0.00 1.00 -0.33 0.00 -1.36 0.00 0.00 55.97 55.28 1v32 s LYS 29 Cb 0.00 -3.78 -0.12 0.00 -1.68 0.00 0.00 37.83 32.25 1v32 s LYS 29 CO 0.00 -1.00 1.79 -0.25 -0.76 0.00 0.00 175.35 175.13 1v32 n ASP 30 N 7.10 3.62 -4.10 2.83 9.92 -1.26 -3.94 116.55 130.72 1v32 n ASP 30 Ca 0.12 1.00 -0.36 0.00 -0.53 0.00 0.00 54.79 55.02 1v32 n ASP 30 Cb 0.47 -1.46 -0.10 0.00 -0.64 0.00 0.00 41.12 39.39 1v32 n ASP 30 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1v32 s THR 31 N 2.73 3.59 0.00 -3.53 -4.23 -1.26 -4.61 115.64 108.33 1v32 s THR 31 Ca 0.85 -2.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1v32 s THR 31 Cb -0.60 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1v32 s THR 31 CO 0.42 -0.83 0.00 -0.24 -0.54 0.00 0.00 174.62 173.42 1v32 n SER 32 N 3.72 0.00 0.00 3.99 2.88 -1.26 -4.90 113.62 118.04 1v32 n SER 32 Ca 0.05 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.71 1v32 n SER 32 Cb 0.38 0.08 0.67 0.00 -0.75 0.00 0.00 64.21 64.60 1v32 n SER 32 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1v32 n GLU 33 N -1.39 0.92 -2.49 -1.46 2.13 -1.26 -4.95 120.64 112.13 1v32 n GLU 33 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1v32 n GLU 33 Cb 0.00 -1.39 -0.02 0.00 0.27 0.00 0.00 31.44 30.30 1v32 n GLU 33 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1v32 n MET 34 N -0.89 -4.21 -3.20 5.31 0.00 -1.26 -4.98 117.12 107.89 1v32 n MET 34 Ca 0.17 3.12 -0.29 0.00 -0.00 0.00 0.00 57.70 60.70 1v32 n MET 34 Cb 0.08 -4.17 -0.03 0.00 0.00 0.00 0.00 33.22 29.09 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 -0.52 4.95 0.23 1.12 1.01 -1.26 -5.05 121.20 121.67 1v32 s ILE 35 Ca -0.12 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 1v32 s ILE 35 Cb 0.01 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 1v32 s ILE 35 CO 0.32 -0.36 1.13 -0.44 0.00 0.00 0.00 174.94 175.59 1v32 s SER 36 N -3.10 7.20 0.32 3.58 0.01 -1.26 -4.89 113.70 115.56 1v32 s SER 36 Ca 0.46 2.23 0.09 0.00 1.31 0.00 0.00 55.95 60.04 1v32 s SER 36 Cb -0.11 -2.62 0.90 0.00 0.21 0.00 0.00 66.02 64.41 1v32 s SER 36 CO 0.30 -0.24 1.67 -0.09 0.41 0.00 0.00 173.24 175.28 1v32 h ARG 37 N 4.54 0.32 -0.63 12.44 2.43 -1.96 0.50 114.38 132.01 1v32 h ARG 37 Ca -0.46 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.78 1v32 h ARG 37 Cb 1.21 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.62 1v32 h ARG 37 CO 0.70 0.21 0.29 -0.92 -1.51 0.00 0.00 179.97 178.74 1v32 h TYR 38 N 0.33 0.51 0.71 2.20 3.20 -1.93 -0.34 116.97 121.65 1v32 h TYR 38 Ca 0.64 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.51 1v32 h TYR 38 Cb 1.36 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 39.51 1v32 h TYR 38 CO -0.11 0.18 -0.34 -0.44 -1.64 0.00 0.00 178.16 175.81 1v32 h ASP 39 N 0.51 -0.81 -0.96 -2.11 5.19 -0.39 0.02 116.42 117.87 1v32 h ASP 39 Ca 0.31 0.03 0.16 0.00 -0.62 0.00 0.00 57.03 56.91 1v32 h ASP 39 Cb 0.33 0.21 -0.16 0.00 0.18 0.00 0.00 39.33 39.88 1v32 h ASP 39 CO -0.26 -0.57 -0.34 0.58 -3.12 0.00 0.00 179.24 175.53 1v32 h VAL 40 N -0.97 0.02 0.23 -1.35 2.07 -1.14 0.28 116.25 115.39 1v32 h VAL 40 Ca -0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1v32 h VAL 40 Cb 0.73 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1v32 h VAL 40 CO 0.16 0.00 -0.38 -1.28 0.02 0.00 0.00 177.57 176.09 1v32 h SER 41 N -0.01 -1.09 -0.92 0.57 0.87 -0.90 0.18 113.55 112.25 1v32 h SER 41 Ca 0.37 0.10 0.26 0.00 -1.23 0.00 0.00 61.79 61.29 1v32 h SER 41 Cb 0.63 0.38 -0.16 0.00 -0.44 0.00 0.00 62.40 62.80 1v32 h SER 41 CO -0.97 -0.45 0.11 -0.78 -0.53 0.00 0.00 176.83 174.21 1v32 h ASP 42 N -0.65 -0.28 -0.87 6.23 3.58 0.12 1.55 116.42 126.09 1v32 h ASP 42 Ca -0.03 0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 1v32 h ASP 42 Cb 0.60 0.39 -0.04 0.00 1.72 0.00 0.00 39.33 42.00 1v32 h ASP 42 CO -0.13 -0.28 0.51 0.74 -2.88 0.00 0.00 179.24 177.20 1v32 h THR 43 N 0.08 1.25 0.25 2.25 2.02 0.44 -0.08 112.91 119.12 1v32 h THR 43 Ca 0.57 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1v32 h THR 43 Cb 1.19 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1v32 h THR 43 CO -0.80 0.26 -0.12 0.40 0.37 0.00 0.00 175.52 175.63 1v32 h ILE 44 N 1.21 0.78 -0.54 3.11 2.04 0.51 0.66 117.51 125.27 1v32 h ILE 44 Ca 0.31 -0.24 0.10 0.00 1.00 0.00 0.00 64.86 66.03 1v32 h ILE 44 Cb -0.02 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 1v32 h ILE 44 CO -0.06 0.05 0.11 0.00 0.00 0.00 0.00 178.15 178.25 1v32 h ALA 45 N 0.25 0.62 -0.12 1.87 0.00 -0.31 1.08 119.26 122.66 1v32 h ALA 45 Ca -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1v32 h ALA 45 Cb 0.35 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1v32 h ALA 45 CO 0.06 -0.31 0.05 0.87 0.00 0.00 0.00 179.25 179.92 1v32 h LYS 46 N 0.24 0.17 -0.19 0.00 1.57 -0.76 -2.86 116.57 114.74 1v32 h LYS 46 Ca 0.28 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1v32 h LYS 46 Cb 0.39 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1v32 h LYS 46 CO -0.36 0.26 0.04 -0.92 -0.57 0.00 0.00 179.45 177.89 1v32 h TYR 47 N 0.04 0.06 -0.77 -1.35 3.20 0.16 0.62 116.97 118.95 1v32 h TYR 47 Ca 0.04 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.02 1v32 h TYR 47 Cb 0.15 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.30 1v32 h TYR 47 CO -0.02 0.02 -0.48 0.82 -1.64 0.00 0.00 178.16 176.86 1v32 h ILE 48 N 0.12 0.04 -0.39 1.81 2.04 0.13 0.35 117.51 121.60 1v32 h ILE 48 Ca 0.09 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.81 1v32 h ILE 48 Cb 0.08 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1v32 h ILE 48 CO -0.12 0.00 -0.32 -1.28 0.00 0.00 0.00 178.15 176.43 1v32 h SER 49 N -0.13 0.91 -0.44 1.72 0.87 -1.26 1.57 113.55 116.78 1v32 h SER 49 Ca 0.20 -0.38 0.05 0.00 -1.23 0.00 0.00 61.79 60.43 1v32 h SER 49 Cb 0.53 -0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 62.16 1v32 h SER 49 CO -0.81 1.14 -0.50 0.50 -0.53 0.00 0.00 176.83 176.63 1v32 h LYS 50 N 0.73 -0.29 -0.03 2.24 1.63 0.40 -2.04 116.57 119.20 1v32 h LYS 50 Ca 0.08 0.02 -0.26 0.00 -0.85 0.00 0.00 60.65 59.64 1v32 h LYS 50 Cb 0.88 0.07 0.02 0.00 -0.60 0.00 0.00 32.23 32.60 1v32 h LYS 50 CO 0.08 -0.19 -1.00 0.93 -3.45 0.00 0.00 179.45 175.82 1v32 h GLU 51 N -0.30 0.73 0.00 1.90 4.39 -0.75 -3.48 114.58 117.06 1v32 h GLU 51 Ca 0.08 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 59.03 1v32 h GLU 51 Cb 0.50 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1v32 h GLU 51 CO -0.57 1.32 0.00 0.41 -1.16 0.00 0.00 179.01 179.01 1v32 n GLY 52 N 1.01 0.82 0.18 -3.84 0.00 0.15 -5.02 105.19 98.49 1v32 n GLY 52 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.47 115.31 107.64 1v32 h LEU 53 Ca 0.00 -0.01 -0.51 0.00 0.08 0.00 0.00 57.88 57.44 1v32 h LEU 53 Cb 0.00 0.00 0.23 0.00 1.08 0.00 0.00 40.66 41.97 1v32 h LEU 53 CO 0.00 0.00 -1.40 0.18 -1.08 0.00 0.00 178.44 176.14 1v32 n LEU 54 N -2.90 -2.65 -4.54 1.67 4.77 -1.25 0.19 117.00 112.28 1v32 n LEU 54 Ca 0.03 0.11 -0.32 0.00 -0.03 0.00 0.00 56.01 55.80 1v32 n LEU 54 Cb 0.52 -0.91 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 1v32 n LEU 54 CO 0.35 -3.85 -0.42 -0.62 -1.33 0.00 0.00 177.39 171.52 1v32 s ASP 55 N -1.55 4.37 0.15 -1.43 2.15 -1.25 -4.35 116.67 114.76 1v32 s ASP 55 Ca 0.49 -0.17 -0.02 0.00 0.43 0.00 0.00 52.55 53.28 1v32 s ASP 55 Cb -0.12 -0.97 -0.02 0.00 -0.30 0.00 0.00 42.92 41.51 1v32 s ASP 55 CO 0.70 0.31 1.37 1.55 -0.17 0.00 0.00 175.17 178.93 1v32 h PRO 56 N 4.86 0.36 -0.29 4.34 0.13 -1.96 -1.59 132.00 137.85 1v32 h PRO 56 Ca -0.48 -0.35 -0.07 0.00 -0.87 0.00 0.00 66.00 64.23 1v32 h PRO 56 Cb 1.16 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1v32 h PRO 56 CO 0.52 1.02 -0.13 1.03 -0.23 0.00 0.00 178.00 180.21 1v32 h SER 57 N 0.22 0.48 -0.85 1.44 0.87 -2.01 -3.41 113.55 110.29 1v32 h SER 57 Ca -0.05 -0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.45 1v32 h SER 57 Cb 1.46 -0.13 -0.21 0.00 -0.44 0.00 0.00 62.40 63.09 1v32 h SER 57 CO 0.14 0.64 -0.30 0.21 -0.53 0.00 0.00 176.83 176.99 1v32 s ASN 58 N -6.78 -1.38 0.47 6.23 2.47 -1.19 -5.01 114.94 109.75 1v32 s ASN 58 Ca -0.07 0.17 0.18 0.00 0.42 0.00 0.00 52.86 53.56 1v32 s ASN 58 Cb 0.15 1.88 1.16 0.00 -1.45 0.00 0.00 41.25 42.99 1v32 s ASN 58 CO 0.78 -0.25 1.99 0.11 -3.72 0.00 0.00 177.10 176.00 1v32 h LYS 59 N 7.85 0.25 -0.45 0.43 1.57 -1.53 0.30 116.57 125.00 1v32 h LYS 59 Ca -0.03 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1v32 h LYS 59 Cb 1.19 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1v32 h LYS 59 CO 0.10 0.17 0.55 0.87 -0.57 0.00 0.00 179.45 180.57 1v32 h LYS 60 N 0.26 0.00 0.00 3.15 1.79 -1.95 -3.41 116.57 116.41 1v32 h LYS 60 Ca 0.27 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.39 1v32 h LYS 60 Cb 0.70 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.39 1v32 h LYS 60 CO -0.06 0.00 0.01 1.63 -1.08 0.00 0.00 179.45 179.95 1v32 n LYS 61 N -3.54 0.44 -3.90 3.15 5.02 0.11 -2.57 118.16 116.87 1v32 n LYS 61 Ca 0.08 -2.12 -0.11 0.00 -2.02 0.00 0.00 58.31 54.15 1v32 n LYS 61 Cb 0.73 -0.31 -0.11 0.00 -0.02 0.00 0.00 35.03 35.32 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 -1.84 0.06 -0.52 -0.18 1.01 0.13 -3.80 120.40 115.26 1v32 s VAL 62 Ca 0.46 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1v32 s VAL 62 Cb -0.03 -0.26 0.13 0.00 0.00 0.00 0.00 36.38 36.22 1v32 s VAL 62 CO 0.29 -0.28 0.28 -0.69 0.00 0.00 0.00 175.10 174.70 1v32 s VAL 63 N -0.89 2.84 0.42 2.92 1.01 0.49 -1.67 120.40 125.53 1v32 s VAL 63 Ca -0.10 -3.10 -0.22 0.00 0.00 0.00 0.00 61.98 58.57 1v32 s VAL 63 Cb -0.06 -2.95 -0.13 0.00 0.00 0.00 0.00 36.38 33.24 1v32 s VAL 63 CO 0.00 -0.79 0.42 0.00 0.00 0.00 0.00 175.10 174.73 1v32 n ASP 65 N 1.52 1.43 0.00 0.00 2.03 -1.26 -4.90 116.55 115.37 1v32 n ASP 65 Ca 0.11 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1v32 n ASP 65 Cb 0.40 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 1v32 n ASP 65 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1v32 n LYS 66 N -3.94 0.00 0.37 -0.67 5.02 -1.26 -4.91 118.16 112.77 1v32 n LYS 66 Ca -0.24 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.88 1v32 n LYS 66 Cb 0.57 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.49 1v32 n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1v32 h ARG 67 N 0.00 -0.89 -0.92 1.97 3.08 -1.98 0.81 114.38 116.44 1v32 h ARG 67 Ca 0.00 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.23 1v32 h ARG 67 Cb 0.00 0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 1v32 h ARG 67 CO 0.00 -0.58 0.59 -0.07 -1.07 0.00 0.00 179.97 178.84 1v32 h LEU 68 N -0.96 0.77 0.70 3.04 3.38 -1.94 0.38 115.31 120.68 1v32 h LEU 68 Ca -0.09 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1v32 h LEU 68 Cb 0.72 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.36 1v32 h LEU 68 CO 0.16 0.41 -0.34 0.58 0.09 0.00 0.00 178.44 179.34 1v32 h VAL 69 N 0.83 0.32 -0.16 1.22 2.07 -1.65 1.20 116.25 120.08 1v32 h VAL 69 Ca 0.45 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.02 1v32 h VAL 69 Cb 0.57 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1v32 h VAL 69 CO -0.21 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.53 1v32 h LEU 70 N -0.94 0.00 0.00 2.57 4.07 0.10 1.44 115.31 122.55 1v32 h LEU 70 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1v32 h LEU 70 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1v32 h LEU 70 CO 0.16 0.00 -0.01 0.25 -1.08 0.00 0.00 178.44 177.76 1v32 h LEU 71 N 0.00 0.00 0.00 1.67 5.85 0.29 -3.44 115.31 119.68 1v32 h LEU 71 Ca 0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1v32 h LEU 71 Cb 0.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1v32 h LEU 71 CO -0.00 0.06 -0.21 -0.26 -0.34 0.00 0.00 178.44 177.68 1v32 h PHE 72 N -0.11 0.00 0.00 1.25 0.04 0.17 -3.46 116.94 114.83 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 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1v32 h PHE 72 CO -0.00 0.08 0.00 0.41 -0.60 0.00 0.00 178.31 178.19 1v32 n GLY 73 N 1.71 1.29 3.86 -1.45 0.00 0.49 -5.00 105.19 106.09 1v32 n GLY 73 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 3.12 -0.21 2.61 -4.23 -1.26 -4.97 115.64 108.69 1v32 s THR 74 Ca 0.00 -1.36 -0.21 0.00 -1.18 0.00 0.00 61.69 58.94 1v32 s THR 74 Cb 0.00 -3.09 -0.19 0.00 1.34 0.00 0.00 72.50 70.56 1v32 s THR 74 CO 0.00 -0.09 0.18 -1.14 -0.54 0.00 0.00 174.62 173.02 1v32 n ARG 75 N -1.45 0.57 -4.56 3.99 3.00 -1.26 -4.31 116.66 112.63 1v32 n ARG 75 Ca 0.01 0.56 -0.29 0.00 -0.00 0.00 0.00 57.85 58.13 1v32 n ARG 75 Cb 0.61 -1.73 -0.14 0.00 0.00 0.00 0.00 32.46 31.20 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 -2.37 2.17 0.14 5.15 -4.23 -1.26 0.18 115.64 115.41 1v32 s THR 76 Ca -0.29 -1.61 -0.15 0.00 -1.18 0.00 0.00 61.69 58.46 1v32 s THR 76 Cb 0.06 -1.90 0.02 0.00 1.34 0.00 0.00 72.50 72.03 1v32 s THR 76 CO 0.59 0.17 0.39 0.27 -0.54 0.00 0.00 174.62 175.50 1v32 s ILE 77 N -0.98 0.07 -0.16 2.99 -4.36 -0.67 -4.95 121.20 113.14 1v32 s ILE 77 Ca 0.13 -0.79 -0.23 0.00 -0.26 0.00 0.00 60.65 59.50 1v32 s ILE 77 Cb -0.10 -1.37 -0.02 0.00 1.25 0.00 0.00 42.46 42.22 1v32 s ILE 77 CO 0.04 -0.30 0.72 -0.36 0.24 0.00 0.00 174.94 175.28 1v32 s PHE 78 N -3.85 3.43 0.53 1.37 0.08 -1.26 0.19 117.98 118.48 1v32 s PHE 78 Ca 0.06 1.11 0.35 0.00 0.12 0.00 0.00 56.93 58.58 1v32 s PHE 78 Cb 0.02 -2.88 1.92 0.00 -0.57 0.00 0.00 43.02 41.50 1v32 s PHE 78 CO -0.08 -0.16 2.07 -0.09 -0.10 0.00 0.00 175.22 176.86 1v32 h ARG 79 N 7.30 0.00 -0.09 0.44 2.43 -1.75 0.92 114.38 123.63 1v32 h ARG 79 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1v32 h ARG 79 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1v32 h ARG 79 CO 0.80 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.93 1v32 n MET 80 N -2.86 2.06 -0.04 0.20 2.81 -1.26 -3.93 117.12 114.10 1v32 n MET 80 Ca -0.02 -1.55 -0.00 0.00 -1.81 0.00 0.00 57.70 54.31 1v32 n MET 80 Cb 0.19 -1.47 -0.10 0.00 -0.71 0.00 0.00 33.22 31.13 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 0.85 1.25 -0.39 0.03 4.76 0.31 -4.59 118.16 120.38 1v32 n LYS 81 Ca 0.17 -0.06 -0.04 0.00 -2.87 0.00 0.00 58.31 55.51 1v32 n LYS 81 Cb 0.49 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 1v32 n LYS 81 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1v32 n VAL 82 N -2.23 -0.57 -0.20 -0.18 0.31 -0.58 0.19 118.33 115.08 1v32 n VAL 82 Ca -0.12 2.35 -0.05 0.00 -0.01 0.00 0.00 64.34 66.51 1v32 n VAL 82 Cb 0.64 -3.05 0.01 0.00 -0.91 0.00 0.00 33.84 30.54 1v32 n VAL 82 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1v32 h TYR 83 N 0.00 -0.87 -0.04 3.52 3.20 -1.81 -0.10 116.97 120.87 1v32 h TYR 83 Ca 0.29 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1v32 h TYR 83 Cb 0.54 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1v32 h TYR 83 CO -0.91 -0.37 0.00 0.22 -1.64 0.00 0.00 178.16 175.45 1v32 h ASP 84 N -0.16 0.06 -1.26 -2.11 3.58 -0.40 -2.67 116.42 113.46 1v32 h ASP 84 Ca 0.24 -0.30 0.45 0.00 0.42 0.00 0.00 57.03 57.84 1v32 h ASP 84 Cb 0.54 -0.02 -0.15 0.00 1.72 0.00 0.00 39.33 41.43 1v32 h ASP 84 CO -0.67 0.35 0.78 -0.07 -2.88 0.00 0.00 179.24 176.75 1v32 h LEU 85 N -0.23 0.25 -8.34 2.28 3.38 0.34 -3.24 115.31 109.74 1v32 h LEU 85 Ca 0.01 0.19 -0.52 0.00 0.09 0.00 0.00 57.88 57.64 1v32 h LEU 85 Cb 0.32 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 1v32 h LEU 85 CO 0.00 -0.30 1.17 -0.76 0.09 0.00 0.00 178.44 178.64 1v32 s LEU 86 N -9.80 3.24 0.14 1.67 1.43 -0.19 -4.34 118.68 110.83 1v32 s LEU 86 Ca -0.08 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1v32 s LEU 86 Cb 0.32 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1v32 s LEU 86 CO 0.81 -1.97 0.00 1.21 0.23 0.00 0.00 176.35 176.64 1v32 n GLU 87 N 9.23 0.00 0.00 1.70 2.13 -1.22 -4.85 120.64 127.63 1v32 n GLU 87 Ca 0.14 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.04 1v32 n GLU 87 Cb 0.50 0.00 0.42 0.00 0.27 0.00 0.00 31.44 32.62 1v32 n GLU 87 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1v32 n LYS 88 N -2.83 0.19 -1.98 5.31 2.85 -1.26 -2.97 118.16 117.47 1v32 n LYS 88 Ca 0.00 0.14 -0.38 0.00 -1.05 0.00 0.00 58.31 57.03 1v32 n LYS 88 Cb 0.00 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 32.92 1v32 n LYS 88 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1v32 n HIS 89 N -1.33 3.06 -3.52 5.58 8.25 -1.26 -4.54 115.22 121.45 1v32 n HIS 89 Ca 0.07 -2.47 -0.16 0.00 -0.26 0.00 0.00 57.72 54.90 1v32 n HIS 89 Cb 0.15 -1.02 -0.05 0.00 1.12 0.00 0.00 29.99 30.18 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 -3.98 -0.58 -0.16 4.41 1.51 -1.16 -3.95 117.35 113.45 1v32 s TYR 90 Ca 0.52 0.92 -0.05 0.00 -1.01 0.00 0.00 57.07 57.46 1v32 s TYR 90 Cb 0.44 0.44 0.08 0.00 -0.11 0.00 0.00 41.96 42.80 1v32 s TYR 90 CO -0.36 -0.57 0.28 0.15 -1.11 0.00 0.00 175.55 173.94 1v32 s LYS 91 N -1.46 0.19 -0.23 -0.62 -0.14 0.49 -4.83 119.74 113.14 1v32 s LYS 91 Ca -0.07 0.67 -0.04 0.00 -1.36 0.00 0.00 55.97 55.17 1v32 s LYS 91 Cb -0.00 -0.22 0.08 0.00 -1.68 0.00 0.00 37.83 36.01 1v32 s LYS 91 CO 0.06 -0.37 0.11 -1.83 -0.76 0.00 0.00 175.35 172.55 1v32 s GLU 92 N 2.44 0.14 0.00 1.68 -1.05 -1.26 -4.76 118.70 115.89 1v32 s GLU 92 Ca 0.03 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 1v32 s GLU 92 Cb -0.13 -1.53 0.00 0.00 -0.44 0.00 0.00 34.13 32.04 1v32 s GLU 92 CO -0.10 -0.84 0.00 -1.71 0.95 0.00 0.00 175.26 173.56 1v32 n ASN 93 N 5.25 0.00 -3.18 0.83 5.15 -1.26 -5.09 115.26 116.96 1v32 n ASN 93 Ca -0.07 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.71 1v32 n ASN 93 Cb 0.46 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.66 1v32 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1v32 n GLN 94 N -0.10 1.04 -3.84 1.20 10.64 -1.26 -5.08 117.38 119.98 1v32 n GLN 94 Ca 0.00 -3.44 -0.12 0.00 -1.83 0.00 0.00 57.00 51.61 1v32 n GLN 94 Cb 0.00 -1.58 -0.13 0.00 -0.86 0.00 0.00 30.24 27.68 1v32 n GLN 94 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1v32 s ASP 95 N -2.04 -0.09 -0.22 2.61 -1.08 -1.26 -5.15 116.67 109.43 1v32 s ASP 95 Ca 0.39 0.17 -0.29 0.00 -0.52 0.00 0.00 52.55 52.29 1v32 s ASP 95 Cb 0.28 0.23 0.16 0.00 -1.46 0.00 0.00 42.92 42.12 1v32 s ASP 95 CO -0.09 -0.08 1.16 -0.44 0.52 0.00 0.00 175.17 176.24 1v32 s SER 96 N -0.13 -0.22 0.00 -0.34 0.01 -1.26 -5.12 113.70 106.63 1v32 s SER 96 Ca -0.02 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1v32 s SER 96 Cb -0.02 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1v32 s SER 96 CO 0.00 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1v32 n GLY 97 N 0.68 0.58 3.78 3.44 0.00 -1.26 -4.99 105.19 107.43 1v32 n GLY 97 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1v32 n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v32 s PRO 98 N 0.00 0.49 0.05 1.61 0.04 -1.26 -5.20 135.00 130.72 1v32 s PRO 98 Ca 0.00 0.04 -0.27 0.00 0.04 0.00 0.00 61.00 60.81 1v32 s PRO 98 Cb 0.00 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.84 1v32 s PRO 98 CO 0.00 -2.59 0.78 -1.12 0.04 0.00 0.00 177.00 174.11 1v32 s SER 99 N -4.21 -0.45 -0.20 6.66 0.01 -1.26 -5.09 113.70 109.17 1v32 s SER 99 Ca 0.68 0.06 -0.16 0.00 1.31 0.00 0.00 55.95 57.84 1v32 s SER 99 Cb -0.11 0.47 -0.08 0.00 0.21 0.00 0.00 66.02 66.50 1v32 s SER 99 CO 0.54 -0.73 -0.26 -1.20 0.41 0.00 0.00 173.24 172.00 1v32 n SER 100 N -0.19 1.91 0.00 2.44 7.64 -1.26 -5.22 113.62 118.94 1v32 n SER 100 Ca -0.12 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1v32 n SER 100 Cb 0.63 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1v32 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64