#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 -7.60 -4.67 1.61 2.88 -1.26 -4.81 113.62 99.77 1v32 n SER 2 Ca 0.00 1.11 -0.42 0.00 -1.33 0.00 0.00 58.87 58.23 1v32 n SER 2 Cb 0.00 -4.21 -0.03 0.00 -0.75 0.00 0.00 64.21 59.22 1v32 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v32 s SER 3 N -1.46 6.61 0.77 -3.46 1.04 -1.26 -4.98 113.70 110.97 1v32 s SER 3 Ca 0.01 2.38 0.00 0.00 0.48 0.00 0.00 55.95 58.82 1v32 s SER 3 Cb -0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1v32 s SER 3 CO 0.55 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1v32 n GLY 4 N 4.17 -3.05 3.63 7.32 0.00 -1.26 -5.05 105.19 110.94 1v32 n GLY 4 Ca 0.17 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 1v32 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v32 s SER 5 N -1.84 3.59 0.00 1.61 0.15 -1.26 -4.87 113.70 111.08 1v32 s SER 5 Ca 0.00 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.14 1v32 s SER 5 Cb 0.00 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1v32 s SER 5 CO 0.00 -0.67 0.00 -1.20 1.20 0.00 0.00 173.24 172.57 1v32 n SER 6 N -1.07 0.00 0.00 5.45 7.64 -1.26 -4.55 113.62 119.83 1v32 n SER 6 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1v32 n SER 6 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1v32 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v32 n GLY 7 N 0.00 0.09 3.35 0.23 0.00 -1.26 -5.13 105.19 102.47 1v32 n GLY 7 Ca 0.00 0.54 -0.35 0.00 0.00 0.00 0.00 46.02 46.21 1v32 n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1v32 s LYS 8 N 2.62 3.44 0.40 1.61 2.20 -1.26 -4.83 119.74 123.91 1v32 s LYS 8 Ca 0.00 -0.61 0.07 0.00 -0.36 0.00 0.00 55.97 55.07 1v32 s LYS 8 Cb 0.00 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 1v32 s LYS 8 CO 0.00 -0.08 0.55 1.03 -0.36 0.00 0.00 175.35 176.49 1v32 s ARG 9 N 1.19 2.92 0.40 4.03 0.52 -1.26 -5.13 118.95 121.61 1v32 s ARG 9 Ca 0.02 -1.10 0.04 0.00 -0.52 0.00 0.00 55.73 54.17 1v32 s ARG 9 Cb -0.14 -2.75 -0.05 0.00 0.52 0.00 0.00 34.95 32.52 1v32 s ARG 9 CO -0.01 -0.19 0.06 0.12 0.02 0.00 0.00 175.30 175.30 1v32 s PHE 10 N -2.33 2.01 -0.91 -0.53 5.36 -1.26 -5.06 117.98 115.26 1v32 s PHE 10 Ca 0.51 -0.98 -0.24 0.00 -0.96 0.00 0.00 56.93 55.26 1v32 s PHE 10 Cb -0.10 -1.41 -0.00 0.00 -0.34 0.00 0.00 43.02 41.17 1v32 s PHE 10 CO 0.33 0.06 1.71 -1.21 -1.46 0.00 0.00 175.22 174.65 1v32 s GLU 11 N -3.81 2.99 0.52 10.12 2.02 -1.26 -4.96 118.70 124.33 1v32 s GLU 11 Ca 0.27 -0.52 -0.21 0.00 0.02 0.00 0.00 54.97 54.53 1v32 s GLU 11 Cb 0.06 -5.06 -0.06 0.00 0.10 0.00 0.00 34.13 29.17 1v32 s GLU 11 CO 0.13 -2.80 1.19 -0.06 0.02 0.00 0.00 175.26 173.74 1v32 s PHE 12 N 7.78 2.64 -0.77 1.61 0.40 -1.26 -4.63 117.98 123.75 1v32 s PHE 12 Ca 0.58 1.51 -0.11 0.00 -0.60 0.00 0.00 56.93 58.32 1v32 s PHE 12 Cb -0.05 -3.43 0.20 0.00 0.51 0.00 0.00 43.02 40.25 1v32 s PHE 12 CO -0.01 -1.86 0.68 0.08 0.70 0.00 0.00 175.22 174.81 1v32 s VAL 13 N -1.58 5.10 0.00 -0.44 1.01 0.32 -4.91 120.40 119.90 1v32 s VAL 13 Ca 0.70 -2.61 0.00 0.00 0.00 0.00 0.00 61.98 60.07 1v32 s VAL 13 Cb -0.29 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1v32 s VAL 13 CO 0.34 -0.99 0.00 0.61 0.00 0.00 0.00 175.10 175.06 1v32 n GLY 14 N 3.83 1.30 0.13 4.51 0.00 -1.26 -3.85 105.19 109.85 1v32 n GLY 14 Ca 0.12 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.07 1.61 4.27 -1.26 -5.00 117.44 113.99 1v32 n TRP 15 Ca 0.00 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.52 1v32 n TRP 15 Cb 0.00 -0.78 0.03 0.00 -1.36 0.00 0.00 31.31 29.20 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 2.40 2.02 3.93 -1.67 0.00 -1.25 -1.46 105.19 109.16 1v32 n GLY 16 Ca -0.37 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.19 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 -2.66 6.39 0.35 1.61 0.15 -1.26 -0.52 113.70 117.76 1v32 s SER 17 Ca 0.27 0.36 0.17 0.00 0.70 0.00 0.00 55.95 57.45 1v32 s SER 17 Cb -0.02 -1.99 1.20 0.00 -1.71 0.00 0.00 66.02 63.50 1v32 s SER 17 CO 0.17 0.02 1.55 -1.14 1.20 0.00 0.00 173.24 175.05 1v32 n ARG 18 N -0.39 -0.06 0.00 5.44 0.63 -1.26 -0.77 116.66 120.25 1v32 n ARG 18 Ca -0.05 1.39 0.00 0.00 -0.92 0.00 0.00 57.85 58.27 1v32 n ARG 18 Cb 0.53 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 31.02 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 -5.28 0.00 -0.32 -0.14 3.00 -1.26 0.19 117.38 113.56 1v32 n GLN 19 Ca 0.34 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.50 1v32 n GLN 19 Cb 1.16 -0.37 0.32 0.00 0.00 0.00 0.00 30.24 31.36 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 -0.04 -0.09 1.08 7.94 -1.08 0.15 117.00 124.96 1v32 n LEU 20 Ca 0.00 1.60 -0.08 0.00 -1.11 0.00 0.00 56.01 56.42 1v32 n LEU 20 Cb 0.00 -0.62 -0.02 0.00 0.53 0.00 0.00 43.42 43.31 1v32 n LEU 20 CO 0.00 -1.65 0.64 0.40 -1.11 0.00 0.00 177.39 175.67 1v32 h ILE 21 N 0.00 0.24 -0.58 1.96 1.08 -0.70 0.65 117.51 120.16 1v32 h ILE 21 Ca 0.61 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 65.08 1v32 h ILE 21 Cb 1.34 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 1v32 h ILE 21 CO -0.86 0.00 0.34 -0.33 -0.69 0.00 0.00 178.15 176.61 1v32 h GLU 22 N -0.29 0.79 -0.71 2.37 5.08 1.12 0.36 114.58 123.30 1v32 h GLU 22 Ca 0.15 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1v32 h GLU 22 Cb 0.54 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1v32 h GLU 22 CO -0.49 0.58 0.47 0.35 -1.00 0.00 0.00 179.01 178.92 1v32 h PHE 23 N 0.78 0.76 0.04 4.33 3.57 0.93 0.17 116.94 127.52 1v32 h PHE 23 Ca 0.21 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.49 1v32 h PHE 23 Cb 0.00 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 1v32 h PHE 23 CO -0.02 0.41 -1.09 -0.07 -2.23 0.00 0.00 178.31 175.31 1v32 h LEU 24 N 0.76 0.13 -0.29 0.59 3.38 0.94 -2.80 115.31 118.02 1v32 h LEU 24 Ca 0.30 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1v32 h LEU 24 Cb 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1v32 h LEU 24 CO -0.10 1.11 0.09 0.45 0.09 0.00 0.00 178.44 180.08 1v32 h HIS 25 N 0.02 0.47 0.60 1.13 3.86 0.12 1.39 115.15 122.75 1v32 h HIS 25 Ca -0.05 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.08 1v32 h HIS 25 Cb 1.84 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 30.18 1v32 h HIS 25 CO 0.02 0.49 -0.29 0.77 0.86 0.00 0.00 177.93 179.78 1v32 h SER 26 N 0.31 -0.69 -1.51 2.45 0.02 -0.80 -2.59 113.55 110.73 1v32 h SER 26 Ca 0.09 0.02 0.49 0.00 -0.84 0.00 0.00 61.79 61.56 1v32 h SER 26 Cb 0.25 0.18 -0.12 0.00 0.14 0.00 0.00 62.40 62.84 1v32 h SER 26 CO -0.00 -0.45 1.01 -0.07 -1.14 0.00 0.00 176.83 176.18 1v32 h LEU 27 N -0.90 0.16 0.00 5.07 3.38 -1.53 -3.43 115.31 118.06 1v32 h LEU 27 Ca -0.08 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1v32 h LEU 27 Cb 0.62 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1v32 h LEU 27 CO 0.14 -0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.09 1v32 n GLY 28 N -1.62 1.51 3.53 0.83 0.00 -0.79 -5.08 105.19 103.58 1v32 n GLY 28 Ca 0.41 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.04 3.39 -0.35 1.61 -0.14 0.47 -4.97 119.74 119.70 1v32 s LYS 29 Ca 0.00 -0.14 -0.27 0.00 -1.36 0.00 0.00 55.97 54.20 1v32 s LYS 29 Cb 0.00 -4.00 -0.05 0.00 -1.68 0.00 0.00 37.83 32.10 1v32 s LYS 29 CO 0.00 -1.35 2.16 -0.51 -0.76 0.00 0.00 175.35 174.89 1v32 s ASP 30 N 2.57 5.23 -1.42 2.83 1.01 -1.26 -3.99 116.67 121.64 1v32 s ASP 30 Ca 0.32 1.42 -0.11 0.00 0.71 0.00 0.00 52.55 54.88 1v32 s ASP 30 Cb -0.12 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 1v32 s ASP 30 CO 0.21 -2.21 2.59 0.35 0.21 0.00 0.00 175.17 176.32 1v32 n THR 31 N 7.72 3.65 -0.05 -1.27 -2.24 -1.26 -4.42 114.28 116.40 1v32 n THR 31 Ca 0.30 -2.42 -0.19 0.00 -2.27 0.00 0.00 64.05 59.46 1v32 n THR 31 Cb 0.49 -2.52 -0.13 0.00 -2.10 0.00 0.00 70.33 66.07 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 5.64 0.13 -0.49 3.42 0.02 -2.03 -3.48 113.55 116.75 1v32 h SER 32 Ca 0.71 -0.79 -0.61 0.00 -0.84 0.00 0.00 61.79 60.27 1v32 h SER 32 Cb 0.37 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 1v32 h SER 32 CO 1.77 1.36 -0.35 -1.61 -1.14 0.00 0.00 176.83 176.86 1v32 s GLU 33 N -2.35 2.24 0.48 3.45 2.02 -1.26 -5.01 118.70 118.27 1v32 s GLU 33 Ca -0.22 -2.11 0.13 0.00 0.02 0.00 0.00 54.97 52.78 1v32 s GLU 33 Cb 0.02 -1.97 1.12 0.00 0.10 0.00 0.00 34.13 33.40 1v32 s GLU 33 CO 0.69 -0.57 2.11 1.98 0.02 0.00 0.00 175.26 179.49 1v32 h MET 34 N 0.88 0.17 -4.94 1.61 -1.53 -1.97 -3.48 114.93 105.67 1v32 h MET 34 Ca -0.38 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 55.87 1v32 h MET 34 Cb 1.31 -0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 32.26 1v32 h MET 34 CO 0.61 0.13 -1.09 -0.89 0.14 0.00 0.00 176.91 175.80 1v32 n ILE 35 N -4.51-10.97 -1.48 1.77 5.41 -1.26 -4.76 119.36 103.57 1v32 n ILE 35 Ca -0.01 2.46 -0.51 0.00 1.00 0.00 0.00 62.75 65.69 1v32 n ILE 35 Cb 0.09 -5.59 -0.04 0.00 -0.71 0.00 0.00 39.64 33.38 1v32 n ILE 35 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1v32 n SER 36 N 1.88 -0.20 -0.19 4.38 7.64 -1.26 -4.74 113.62 121.14 1v32 n SER 36 Ca -0.19 1.14 -0.10 0.00 1.01 0.00 0.00 58.87 60.74 1v32 n SER 36 Cb 0.30 -1.02 -0.07 0.00 -1.01 0.00 0.00 64.21 62.40 1v32 n SER 36 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1v32 h ARG 37 N 2.09 -0.17 -0.84 1.43 2.43 -2.00 0.36 114.38 117.68 1v32 h ARG 37 Ca -0.38 0.01 0.33 0.00 -0.81 0.00 0.00 59.98 59.13 1v32 h ARG 37 Cb 1.41 0.04 -0.15 0.00 -0.42 0.00 0.00 29.97 30.85 1v32 h ARG 37 CO 0.62 -0.12 0.36 0.98 -1.51 0.00 0.00 179.97 180.31 1v32 n TYR 38 N -4.70 0.89 -0.02 2.20 9.36 -1.26 0.19 117.16 123.81 1v32 n TYR 38 Ca -0.01 1.00 -0.09 0.00 3.32 0.00 0.00 57.90 62.12 1v32 n TYR 38 Cb 0.23 -1.35 -0.02 0.00 -0.63 0.00 0.00 39.34 37.57 1v32 n TYR 38 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1v32 h ASP 39 N 0.00 -0.63 0.32 2.98 3.58 -0.60 0.45 116.42 122.52 1v32 h ASP 39 Ca 0.67 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 58.22 1v32 h ASP 39 Cb 1.72 0.30 0.00 0.00 1.72 0.00 0.00 39.33 43.07 1v32 h ASP 39 CO -0.68 -0.24 -0.15 0.58 -2.88 0.00 0.00 179.24 175.86 1v32 h VAL 40 N -0.23 0.68 -0.38 2.25 2.07 0.21 -2.29 116.25 118.57 1v32 h VAL 40 Ca 0.12 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1v32 h VAL 40 Cb 0.40 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 1v32 h VAL 40 CO -0.32 0.10 -0.33 -1.28 0.02 0.00 0.00 177.57 175.77 1v32 h SER 41 N -0.74 -1.14 -0.72 0.57 0.87 -0.52 0.67 113.55 112.54 1v32 h SER 41 Ca -0.04 0.16 0.14 0.00 -1.23 0.00 0.00 61.79 60.82 1v32 h SER 41 Cb 0.50 0.49 -0.14 0.00 -0.44 0.00 0.00 62.40 62.81 1v32 h SER 41 CO 0.07 -0.19 -0.22 -0.78 -0.53 0.00 0.00 176.83 175.19 1v32 h ASP 42 N -0.13 -0.79 -0.93 6.23 3.58 -0.15 1.02 116.42 125.25 1v32 h ASP 42 Ca 0.06 0.22 0.10 0.00 0.42 0.00 0.00 57.03 57.84 1v32 h ASP 42 Cb 0.29 0.49 -0.07 0.00 1.72 0.00 0.00 39.33 41.76 1v32 h ASP 42 CO -0.43 -0.26 0.60 0.74 -2.88 0.00 0.00 179.24 177.01 1v32 h THR 43 N -0.03 0.96 0.02 2.25 2.02 -0.13 0.17 112.91 118.17 1v32 h THR 43 Ca 0.33 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1v32 h THR 43 Cb 0.54 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1v32 h THR 43 CO -0.75 0.17 -0.01 0.40 0.37 0.00 0.00 175.52 175.70 1v32 h ILE 44 N 0.93 1.23 -0.91 3.11 2.04 0.65 0.44 117.51 125.01 1v32 h ILE 44 Ca 0.44 -0.80 0.12 0.00 1.00 0.00 0.00 64.86 65.62 1v32 h ILE 44 Cb 0.43 1.77 -0.08 0.00 -0.74 0.00 0.00 36.82 38.19 1v32 h ILE 44 CO -0.20 0.20 0.54 0.00 0.00 0.00 0.00 178.15 178.69 1v32 h ALA 45 N 0.59 1.35 0.04 1.87 0.00 0.70 0.67 119.26 124.47 1v32 h ALA 45 Ca -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1v32 h ALA 45 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1v32 h ALA 45 CO 0.01 0.12 -0.02 -0.22 0.00 0.00 0.00 179.25 179.14 1v32 h LYS 46 N 0.85 -0.05 -0.42 0.00 3.64 -0.51 -3.03 116.57 117.06 1v32 h LYS 46 Ca 0.45 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.91 1v32 h LYS 46 Cb 0.48 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 1v32 h LYS 46 CO -0.28 0.38 0.07 -0.92 -2.27 0.00 0.00 179.45 176.43 1v32 h TYR 47 N -0.49 0.10 -0.47 1.91 3.20 0.86 1.45 116.97 123.53 1v32 h TYR 47 Ca -0.00 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.96 1v32 h TYR 47 Cb 0.45 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.65 1v32 h TYR 47 CO 0.07 -0.01 -0.51 0.82 -1.64 0.00 0.00 178.16 176.89 1v32 h ILE 48 N 0.19 0.04 -0.35 1.81 2.04 0.30 0.15 117.51 121.69 1v32 h ILE 48 Ca 0.21 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.96 1v32 h ILE 48 Cb 0.27 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1v32 h ILE 48 CO -0.29 0.00 -0.22 -1.28 0.00 0.00 0.00 178.15 176.36 1v32 h SER 49 N -0.34 0.81 -0.46 1.72 0.87 -1.30 1.43 113.55 116.28 1v32 h SER 49 Ca 0.11 -0.43 0.04 0.00 -1.23 0.00 0.00 61.79 60.29 1v32 h SER 49 Cb 0.58 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 1v32 h SER 49 CO -0.63 1.06 -0.34 0.50 -0.53 0.00 0.00 176.83 176.89 1v32 h LYS 50 N 0.56 -0.09 -0.13 2.24 1.63 0.35 -1.97 116.57 119.16 1v32 h LYS 50 Ca 0.07 0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.78 1v32 h LYS 50 Cb 0.78 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1v32 h LYS 50 CO 0.06 -0.06 -0.32 0.93 -3.45 0.00 0.00 179.45 176.62 1v32 h GLU 51 N -0.09 0.45 0.00 1.90 4.39 -0.80 -3.48 114.58 116.94 1v32 h GLU 51 Ca 0.08 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1v32 h GLU 51 Cb 0.29 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1v32 h GLU 51 CO -0.48 0.92 0.00 0.41 -1.16 0.00 0.00 179.01 178.69 1v32 n GLY 52 N 0.49 0.97 0.12 -3.84 0.00 0.13 -5.01 105.19 98.04 1v32 n GLY 52 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -9.63 0.99 4.07 0.15 -3.46 115.31 107.43 1v32 h LEU 53 Ca 0.00 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.49 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 -1.13 0.18 -1.08 0.00 0.00 178.44 176.41 1v32 n LEU 54 N -2.31 -2.07 -4.51 1.67 4.77 -1.25 0.17 117.00 113.46 1v32 n LEU 54 Ca 0.04 -0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.68 1v32 n LEU 54 Cb 0.36 -0.96 -0.12 0.00 -2.33 0.00 0.00 43.42 40.37 1v32 n LEU 54 CO 0.27 -3.22 -0.44 -0.62 -1.33 0.00 0.00 177.39 172.05 1v32 s ASP 55 N -1.79 4.16 0.06 -1.43 2.15 -1.24 -4.32 116.67 114.26 1v32 s ASP 55 Ca 0.54 -0.27 -0.15 0.00 0.43 0.00 0.00 52.55 53.10 1v32 s ASP 55 Cb -0.12 -0.84 -0.21 0.00 -0.30 0.00 0.00 42.92 41.45 1v32 s ASP 55 CO 0.67 0.29 1.20 1.55 -0.17 0.00 0.00 175.17 178.71 1v32 h PRO 56 N 4.71 0.65 0.00 4.34 0.13 -1.95 -1.67 132.00 138.21 1v32 h PRO 56 Ca -0.48 -0.64 -0.00 0.00 -0.87 0.00 0.00 66.00 64.01 1v32 h PRO 56 Cb 1.16 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1v32 h PRO 56 CO 0.51 1.24 -0.02 1.03 -0.23 0.00 0.00 178.00 180.53 1v32 h SER 57 N 0.30 0.00 -0.57 1.44 0.87 -2.01 -3.40 113.55 110.19 1v32 h SER 57 Ca -0.09 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.63 1v32 h SER 57 Cb 1.50 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.25 1v32 h SER 57 CO 0.17 0.02 -0.08 0.21 -0.53 0.00 0.00 176.83 176.61 1v32 s ASN 58 N -6.78 -0.85 0.48 6.23 2.47 -1.18 -5.01 114.94 110.30 1v32 s ASN 58 Ca -0.05 0.31 0.14 0.00 0.42 0.00 0.00 52.86 53.69 1v32 s ASN 58 Cb 0.16 1.63 1.12 0.00 -1.45 0.00 0.00 41.25 42.71 1v32 s ASN 58 CO 0.63 -0.16 2.08 0.11 -3.72 0.00 0.00 177.10 176.05 1v32 h LYS 59 N 7.80 0.06 -0.42 0.43 6.56 -1.52 -0.28 116.57 129.19 1v32 h LYS 59 Ca -0.12 -0.01 0.12 0.00 -1.06 0.00 0.00 60.65 59.59 1v32 h LYS 59 Cb 1.17 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.81 1v32 h LYS 59 CO 0.02 0.11 0.48 0.87 -2.06 0.00 0.00 179.45 178.87 1v32 h LYS 60 N 0.06 0.00 -6.89 3.15 1.79 -1.95 -3.41 116.57 109.32 1v32 h LYS 60 Ca 0.02 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.03 1v32 h LYS 60 Cb 0.11 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.82 1v32 h LYS 60 CO 0.01 0.00 -0.00 0.15 -1.08 0.00 0.00 179.45 178.52 1v32 s LYS 61 N -4.58 2.14 -0.03 3.15 1.02 -0.12 -4.04 119.74 117.28 1v32 s LYS 61 Ca -0.04 -1.12 0.01 0.00 0.02 0.00 0.00 55.97 54.83 1v32 s LYS 61 Cb 0.15 -2.47 0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1v32 s LYS 61 CO 0.53 -1.03 -0.01 0.08 -0.92 0.00 0.00 175.35 174.00 1v32 s VAL 62 N -2.88 0.28 -0.52 3.17 1.01 0.36 -3.68 120.40 118.14 1v32 s VAL 62 Ca 0.62 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 1v32 s VAL 62 Cb -0.07 -0.35 0.13 0.00 0.00 0.00 0.00 36.38 36.08 1v32 s VAL 62 CO 0.41 0.17 0.43 -0.69 0.00 0.00 0.00 175.10 175.41 1v32 s VAL 63 N 1.01 4.65 0.50 2.92 1.01 0.44 -0.56 120.40 130.37 1v32 s VAL 63 Ca -0.10 -1.73 -0.20 0.00 0.00 0.00 0.00 61.98 59.95 1v32 s VAL 63 Cb -0.14 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 1v32 s VAL 63 CO -0.01 -0.83 0.70 0.00 0.00 0.00 0.00 175.10 174.96 1v32 n ASP 65 N 0.52 1.42 0.06 0.00 9.92 -1.26 -4.89 116.55 122.31 1v32 n ASP 65 Ca 0.11 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 1v32 n ASP 65 Cb 0.44 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1v32 n ASP 65 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1v32 n LYS 66 N -3.62 0.00 -0.19 -1.24 4.81 -1.26 -4.91 118.16 111.75 1v32 n LYS 66 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.12 1v32 n LYS 66 Cb 0.74 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.88 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 0.12 -0.61 1.64 3.08 -1.98 0.80 114.38 117.44 1v32 h ARG 67 Ca 0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1v32 h ARG 67 Cb 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1v32 h ARG 67 CO 0.00 0.08 0.14 -0.07 -1.07 0.00 0.00 179.97 179.05 1v32 h LEU 68 N 0.13 0.89 0.63 3.04 3.38 -1.94 -1.50 115.31 119.93 1v32 h LEU 68 Ca 0.30 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1v32 h LEU 68 Cb 0.48 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1v32 h LEU 68 CO -0.49 0.86 -0.30 0.58 0.09 0.00 0.00 178.44 179.18 1v32 h VAL 69 N 0.90 0.31 -0.01 1.22 2.07 -0.77 0.98 116.25 120.96 1v32 h VAL 69 Ca 0.19 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1v32 h VAL 69 Cb 0.33 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1v32 h VAL 69 CO 0.00 0.02 0.27 -0.07 0.02 0.00 0.00 177.57 177.82 1v32 h LEU 70 N -0.99 0.00 0.00 2.57 3.38 0.55 1.45 115.31 122.28 1v32 h LEU 70 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1v32 h LEU 70 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1v32 h LEU 70 CO 0.14 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.56 1v32 n LEU 71 N -2.95 0.29 -0.07 1.67 7.94 -0.58 -4.77 117.00 118.52 1v32 n LEU 71 Ca -0.02 0.27 -0.12 0.00 -1.11 0.00 0.00 56.01 55.02 1v32 n LEU 71 Cb 0.33 -0.42 -0.09 0.00 0.53 0.00 0.00 43.42 43.77 1v32 n LEU 71 CO 0.15 -0.42 0.00 -0.26 -1.11 0.00 0.00 177.39 175.75 1v32 h PHE 72 N 0.00 0.00 0.00 1.96 0.04 0.12 -3.45 116.94 115.61 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 0.82 0.00 0.41 -0.60 0.00 0.00 178.31 178.94 1v32 n GLY 73 N 1.60 1.19 3.77 -1.45 0.00 0.49 -4.99 105.19 105.80 1v32 n GLY 73 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 4.57 -0.04 2.61 -4.23 -1.26 -4.96 115.64 110.32 1v32 s THR 74 Ca 0.00 -0.59 -0.20 0.00 -1.18 0.00 0.00 61.69 59.72 1v32 s THR 74 Cb 0.00 -3.13 -0.14 0.00 1.34 0.00 0.00 72.50 70.57 1v32 s THR 74 CO 0.00 0.25 0.84 -0.09 -0.54 0.00 0.00 174.62 175.09 1v32 h ARG 75 N 3.77 -0.29 -6.61 3.99 9.65 -1.95 -3.40 114.38 119.55 1v32 h ARG 75 Ca -0.48 0.02 -0.69 0.00 -1.10 0.00 0.00 59.98 57.73 1v32 h ARG 75 Cb 1.17 0.07 -0.23 0.00 -1.39 0.00 0.00 29.97 29.59 1v32 h ARG 75 CO 0.63 0.07 -0.82 0.95 2.80 0.00 0.00 179.97 183.61 1v32 s THR 76 N -3.49 2.69 0.32 0.20 -4.23 -1.26 0.19 115.64 110.07 1v32 s THR 76 Ca -0.12 -1.23 -0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1v32 s THR 76 Cb 0.01 -2.13 -0.00 0.00 1.34 0.00 0.00 72.50 71.72 1v32 s THR 76 CO 0.43 0.33 0.44 0.27 -0.54 0.00 0.00 174.62 175.54 1v32 s ILE 77 N -0.92 0.00 -0.27 2.99 -4.36 0.28 -4.94 121.20 113.98 1v32 s ILE 77 Ca 0.14 -1.64 -0.09 0.00 -0.26 0.00 0.00 60.65 58.81 1v32 s ILE 77 Cb -0.10 -2.58 -0.03 0.00 1.25 0.00 0.00 42.46 41.00 1v32 s ILE 77 CO 0.05 0.00 0.12 -0.36 0.24 0.00 0.00 174.94 174.99 1v32 s PHE 78 N -3.26 3.14 0.54 1.37 0.40 -1.26 -0.49 117.98 118.42 1v32 s PHE 78 Ca 0.31 -0.35 0.47 0.00 -0.60 0.00 0.00 56.93 56.76 1v32 s PHE 78 Cb 0.00 -2.30 1.61 0.00 0.51 0.00 0.00 43.02 42.84 1v32 s PHE 78 CO 0.19 -0.34 1.48 -2.13 0.70 0.00 0.00 175.22 175.12 1v32 n ARG 79 N 4.97 0.00 -0.06 0.44 0.63 -1.26 0.16 116.66 121.54 1v32 n ARG 79 Ca -0.15 1.04 -0.16 0.00 -0.92 0.00 0.00 57.85 57.66 1v32 n ARG 79 Cb 0.51 -2.41 -0.13 0.00 0.45 0.00 0.00 32.46 30.88 1v32 n ARG 79 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1v32 h MET 80 N 0.00 0.04 -0.53 -0.14 4.05 -1.92 -3.27 114.93 113.16 1v32 h MET 80 Ca 0.87 -0.07 0.15 0.00 -0.28 0.00 0.00 59.70 60.37 1v32 h MET 80 Cb 3.58 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 34.39 1v32 h MET 80 CO -0.01 1.04 0.58 0.87 0.23 0.00 0.00 176.91 179.61 1v32 h LYS 81 N -0.91 0.00 -1.00 0.39 1.79 0.11 -1.42 116.57 115.53 1v32 h LYS 81 Ca -0.06 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.54 1v32 h LYS 81 Cb 1.13 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.63 1v32 h LYS 81 CO -0.00 0.00 -0.47 0.28 -1.08 0.00 0.00 179.45 178.18 1v32 h VAL 82 N 0.00 0.00 -0.64 0.50 2.07 -1.24 1.48 116.25 118.43 1v32 h VAL 82 Ca 0.25 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.91 1v32 h VAL 82 Cb 1.41 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.07 1v32 h VAL 82 CO -0.00 0.00 0.01 0.22 0.02 0.00 0.00 177.57 177.82 1v32 h TYR 83 N -0.00 -0.02 0.01 1.57 3.20 -1.48 0.45 116.97 120.69 1v32 h TYR 83 Ca 0.27 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 1v32 h TYR 83 Cb 0.52 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1v32 h TYR 83 CO -0.94 -0.17 -0.00 0.22 -1.64 0.00 0.00 178.16 175.63 1v32 h ASP 84 N 0.13 -0.01 -0.81 -2.11 1.82 0.35 -2.37 116.42 113.42 1v32 h ASP 84 Ca 0.34 -0.32 0.18 0.00 -0.39 0.00 0.00 57.03 56.84 1v32 h ASP 84 Cb 0.55 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.45 1v32 h ASP 84 CO -0.54 0.31 0.28 -0.07 -1.61 0.00 0.00 179.24 177.62 1v32 h LEU 85 N -0.33 0.18 -1.89 2.28 3.38 0.29 1.42 115.31 120.65 1v32 h LEU 85 Ca -0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1v32 h LEU 85 Cb 0.32 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1v32 h LEU 85 CO 0.00 0.00 -0.11 -0.07 0.09 0.00 0.00 178.44 178.35 1v32 h LEU 86 N 0.35 0.00 -2.11 1.67 3.38 0.03 -1.02 115.31 117.62 1v32 h LEU 86 Ca 0.47 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.52 1v32 h LEU 86 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1v32 h LEU 86 CO -0.50 0.11 0.32 -0.08 0.09 0.00 0.00 178.44 178.38 1v32 h GLU 87 N 0.00 0.00 0.00 1.13 4.22 0.25 1.18 114.58 121.36 1v32 h GLU 87 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1v32 h GLU 87 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1v32 h GLU 87 CO 0.01 0.00 -0.49 0.87 -2.18 0.00 0.00 179.01 177.22 1v32 h LYS 88 N 0.00 0.00 -1.15 1.92 1.57 -1.14 -3.29 116.57 114.49 1v32 h LYS 88 Ca 0.12 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.22 1v32 h LYS 88 Cb 0.76 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.77 1v32 h LYS 88 CO -0.00 0.00 0.71 0.72 -0.57 0.00 0.00 179.45 180.31 1v32 n HIS 89 N -2.87 3.15 -3.71 -1.35 8.25 0.41 -4.90 115.22 114.21 1v32 n HIS 89 Ca 0.02 -2.85 -0.12 0.00 -0.26 0.00 0.00 57.72 54.51 1v32 n HIS 89 Cb 0.54 -1.28 -0.10 0.00 1.12 0.00 0.00 29.99 30.27 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 -3.84 -0.56 0.00 4.41 1.51 -1.14 -4.12 117.35 113.60 1v32 s TYR 90 Ca 0.61 1.29 0.00 0.00 -1.01 0.00 0.00 57.07 57.96 1v32 s TYR 90 Cb 0.49 0.23 0.00 0.00 -0.11 0.00 0.00 41.96 42.57 1v32 s TYR 90 CO -0.07 -0.29 0.00 1.17 -1.11 0.00 0.00 175.55 175.24 1v32 n LYS 91 N 3.42 3.15 -3.21 -0.62 4.81 -0.53 -4.94 118.16 120.24 1v32 n LYS 91 Ca -0.17 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.06 1v32 n LYS 91 Cb 0.56 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.63 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 -2.02 -3.58 1.64 1.02 -1.26 -5.02 120.64 111.41 1v32 n GLU 92 Ca 0.00 1.67 -0.11 0.00 -0.02 0.00 0.00 57.16 58.70 1v32 n GLU 92 Cb 0.00 -4.00 -0.04 0.00 -0.02 0.00 0.00 31.44 27.38 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 -2.26 -0.32 0.55 1.62 2.47 -1.26 -5.18 114.94 110.57 1v32 s ASN 93 Ca 0.25 -0.23 -0.01 0.00 0.42 0.00 0.00 52.86 53.29 1v32 s ASN 93 Cb -0.04 0.51 0.03 0.00 -1.45 0.00 0.00 41.25 40.29 1v32 s ASN 93 CO 0.82 -0.88 0.80 -1.10 -3.72 0.00 0.00 177.10 173.01 1v32 s GLN 94 N -3.79 2.65 0.27 0.43 1.11 -1.26 -5.05 119.66 114.02 1v32 s GLN 94 Ca 0.02 -0.57 -0.29 0.00 0.01 0.00 0.00 55.36 54.53 1v32 s GLN 94 Cb 0.01 -2.44 -0.09 0.00 -1.01 0.00 0.00 33.01 29.48 1v32 s GLN 94 CO -0.12 -0.68 1.19 0.34 0.01 0.00 0.00 175.29 176.03 1v32 s ASP 95 N -4.38 7.07 0.35 5.90 2.15 -1.26 -5.03 116.67 121.47 1v32 s ASP 95 Ca 0.55 2.39 0.03 0.00 0.43 0.00 0.00 52.55 55.96 1v32 s ASP 95 Cb -0.10 -2.63 -0.04 0.00 -0.30 0.00 0.00 42.92 39.84 1v32 s ASP 95 CO 0.40 -0.32 0.09 -0.55 -0.17 0.00 0.00 175.17 174.62 1v32 s SER 96 N -0.49 2.38 0.00 -0.34 0.15 -1.26 -5.12 113.70 109.02 1v32 s SER 96 Ca 0.48 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.62 1v32 s SER 96 Cb -0.35 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 1v32 s SER 96 CO 0.43 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1v32 n GLY 97 N -0.75 0.24 0.15 9.45 0.00 -1.26 -4.76 105.19 108.25 1v32 n GLY 97 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -5.01 1.61 0.13 -2.05 -3.47 132.00 123.20 1v32 h PRO 98 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1v32 h PRO 98 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1v32 h PRO 98 CO 0.00 0.56 -1.15 0.45 -0.23 0.00 0.00 178.00 177.63 1v32 n SER 99 N -3.51 -3.75 -3.22 1.44 2.88 -1.26 -5.07 113.62 101.14 1v32 n SER 99 Ca 0.00 1.44 0.04 0.00 -1.33 0.00 0.00 58.87 59.01 1v32 n SER 99 Cb 0.65 -4.59 -0.03 0.00 -0.75 0.00 0.00 64.21 59.49 1v32 n SER 99 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v32 s SER 100 N -0.53 -0.24 0.00 -3.46 0.15 -1.26 -5.25 113.70 103.12 1v32 s SER 100 Ca -0.16 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1v32 s SER 100 Cb 0.01 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 1v32 s SER 100 CO 0.43 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.44