#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvo s ILE 3 N 0.00 4.98 -0.24 0.00 1.01 -1.26 -5.04 121.20 120.64 3jvo s ILE 3 Ca 0.00 1.19 -0.27 0.00 0.00 0.00 0.00 60.65 61.57 3jvo s ILE 3 Cb 0.00 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.56 3jvo s ILE 3 CO 0.00 0.39 0.97 -0.62 0.00 0.00 0.00 174.94 175.69 3jvo s ASP 4 N -0.00 7.00 0.48 3.58 -1.08 -1.26 -4.95 116.67 120.44 3jvo s ASP 4 Ca 0.30 1.24 0.20 0.00 -0.52 0.00 0.00 52.55 53.77 3jvo s ASP 4 Cb -0.18 -2.50 1.23 0.00 -1.46 0.00 0.00 42.92 40.01 3jvo s ASP 4 CO 0.16 -0.63 1.98 1.62 0.52 0.00 0.00 175.17 178.82 3jvo h VAL 5 N 5.46 0.80 0.00 1.11 3.04 -1.93 -0.31 116.25 124.42 3jvo h VAL 5 Ca -0.20 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3jvo h VAL 5 Cb 1.07 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 3jvo h VAL 5 CO 0.95 0.03 0.00 -0.07 -1.01 0.00 0.00 177.57 177.47 3jvo h LEU 6 N 0.19 0.00 -0.04 3.16 3.38 -1.93 -1.36 115.31 118.71 3jvo h LEU 6 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3jvo h LEU 6 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3jvo h LEU 6 CO -0.05 0.00 0.00 0.44 0.09 0.00 0.00 178.44 178.92 3jvo h ASP 7 N 0.00 0.00 0.02 -0.43 3.32 -1.46 -3.34 116.42 114.54 3jvo h ASP 7 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 3jvo h ASP 7 Cb 0.40 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 3jvo h ASP 7 CO 0.00 0.00 -2.12 0.52 -1.72 0.00 0.00 179.24 175.92 3jvo n VAL 8 N -2.59 1.57 -3.69 -1.35 0.31 -0.66 -4.84 118.33 107.08 3jvo n VAL 8 Ca 0.05 -0.40 -0.19 0.00 -0.01 0.00 0.00 64.34 63.79 3jvo n VAL 8 Cb 0.46 -1.78 -0.17 0.00 -0.91 0.00 0.00 33.84 31.44 3jvo n VAL 8 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3jvo s ILE 9 N -2.49 -0.10 0.82 2.52 1.01 -0.60 -5.08 121.20 117.28 3jvo s ILE 9 Ca -0.32 0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 3jvo s ILE 9 Cb 0.10 -0.14 0.09 0.00 0.01 0.00 0.00 42.46 42.51 3jvo s ILE 9 CO 0.60 0.16 1.09 -0.94 0.00 0.00 0.00 174.94 175.85 3jvo s SER 10 N 1.92 4.08 0.25 3.58 1.04 -1.25 -4.04 113.70 119.29 3jvo s SER 10 Ca 0.02 1.67 -0.04 0.00 0.48 0.00 0.00 55.95 58.08 3jvo s SER 10 Cb -0.12 -2.37 0.37 0.00 0.10 0.00 0.00 66.02 64.00 3jvo s SER 10 CO -0.03 -2.28 1.87 0.25 0.98 0.00 0.00 173.24 174.03 3jvo h LEU 11 N -1.30 0.97 -0.95 2.42 5.85 -1.94 -1.78 115.31 118.57 3jvo h LEU 11 Ca -0.46 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.18 3jvo h LEU 11 Cb 1.25 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3jvo h LEU 11 CO 0.53 0.62 -0.21 0.77 -0.34 0.00 0.00 178.44 179.81 3jvo h SER 12 N 1.11 0.51 -0.50 1.25 4.64 -1.99 -0.27 113.55 118.30 3jvo h SER 12 Ca 0.41 -0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 61.46 3jvo h SER 12 Cb 0.15 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3jvo h SER 12 CO -0.17 0.73 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.37 3jvo h LEU 13 N 0.46 0.97 -0.44 5.97 3.38 -1.81 -1.20 115.31 122.63 3jvo h LEU 13 Ca 0.07 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.79 3jvo h LEU 13 Cb 0.63 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3jvo h LEU 13 CO 0.04 1.07 0.20 -0.26 0.09 0.00 0.00 178.44 179.58 3jvo h PHE 14 N 0.87 0.36 -0.19 1.13 -1.00 -0.82 -1.93 116.94 115.36 3jvo h PHE 14 Ca 0.14 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.88 3jvo h PHE 14 Cb 0.63 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 3jvo h PHE 14 CO 0.04 0.16 -0.15 0.87 -1.61 0.00 0.00 178.31 177.63 3jvo h LYS 15 N 0.39 0.31 -0.39 1.51 1.57 -0.84 -2.85 116.57 116.28 3jvo h LYS 15 Ca 0.20 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 3jvo h LYS 15 Cb 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3jvo h LYS 15 CO -0.16 0.46 -0.28 1.96 -0.57 0.00 0.00 179.45 180.86 3jvo h GLN 16 N 0.30 0.84 -0.81 3.15 4.20 -0.87 -0.95 115.11 120.96 3jvo h GLN 16 Ca 0.06 -0.37 0.17 0.00 0.06 0.00 0.00 58.65 58.56 3jvo h GLN 16 Cb 0.44 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.10 3jvo h GLN 16 CO 0.03 1.01 0.34 0.37 -0.67 0.00 0.00 178.83 179.90 3jvo h GLN 17 N 0.71 0.43 -0.69 1.46 5.75 -1.12 -1.98 115.11 119.68 3jvo h GLN 17 Ca 0.08 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3jvo h GLN 17 Cb 0.83 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.28 3jvo h GLN 17 CO 0.07 0.29 0.00 0.44 -2.65 0.00 0.00 178.83 176.98 3jvo n ILE 18 N -5.01 0.95 -3.95 2.39 -5.35 -1.17 -4.97 119.36 102.25 3jvo n ILE 18 Ca 0.17 -0.97 -0.28 0.00 -0.27 0.00 0.00 62.75 61.39 3jvo n ILE 18 Cb 0.49 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 3jvo n ILE 18 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3jvo n GLU 19 N 1.59 -4.21 -3.70 6.28 1.02 -0.68 -4.95 120.64 116.00 3jvo n GLU 19 Ca 0.24 0.49 -0.38 0.00 -0.02 0.00 0.00 57.16 57.49 3jvo n GLU 19 Cb 0.61 -5.04 -0.12 0.00 -0.02 0.00 0.00 31.44 26.87 3jvo n GLU 19 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3jvo s PHE 20 N -3.58 3.14 -0.35 -0.32 5.36 -0.45 -5.01 117.98 116.77 3jvo s PHE 20 Ca 0.34 -0.53 0.06 0.00 -0.96 0.00 0.00 56.93 55.83 3jvo s PHE 20 Cb -0.18 -2.30 0.46 0.00 -0.34 0.00 0.00 43.02 40.66 3jvo s PHE 20 CO 0.87 -0.42 1.33 0.39 -1.46 0.00 0.00 175.22 175.92 3jvo n GLU 21 N 4.95 3.47 -4.28 10.12 1.02 -1.26 -4.67 120.64 129.99 3jvo n GLU 21 Ca -0.15 -4.03 -0.15 0.00 -0.02 0.00 0.00 57.16 52.81 3jvo n GLU 21 Cb 0.50 -2.28 -0.10 0.00 -0.02 0.00 0.00 31.44 29.54 3jvo n GLU 21 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3jvo s GLU 22 N -3.64 1.16 0.00 3.49 2.02 -1.26 -5.07 118.70 115.40 3jvo s GLU 22 Ca 0.53 -1.52 0.10 0.00 0.02 0.00 0.00 54.97 54.11 3jvo s GLU 22 Cb 0.43 -0.72 0.12 0.00 0.10 0.00 0.00 34.13 34.06 3jvo s GLU 22 CO 0.03 0.07 0.91 -0.25 0.02 0.00 0.00 175.26 176.03 3jvo n ASP 23 N -0.27 2.06 -0.94 -0.19 8.00 -1.26 -4.60 116.55 119.34 3jvo n ASP 23 Ca -0.09 -1.54 0.09 0.00 0.71 0.00 0.00 54.79 53.97 3jvo n ASP 23 Cb 0.61 -0.04 0.26 0.00 -0.02 0.00 0.00 41.12 41.93 3jvo n ASP 23 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3jvo n ASP 24 N 0.56 2.76 -0.73 -2.24 5.75 -1.26 -3.89 116.55 117.50 3jvo n ASP 24 Ca 0.07 -1.95 0.05 0.00 -0.01 0.00 0.00 54.79 52.95 3jvo n ASP 24 Cb 0.29 -0.30 0.12 0.00 -1.03 0.00 0.00 41.12 40.20 3jvo n ASP 24 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3jvo n ARG 25 N 1.02 0.87 -0.26 0.11 5.12 -1.26 -4.86 116.66 117.40 3jvo n ARG 25 Ca 0.18 -2.49 -0.01 0.00 -1.93 0.00 0.00 57.85 53.60 3jvo n ARG 25 Cb 0.46 -1.00 0.20 0.00 -1.16 0.00 0.00 32.46 30.95 3jvo n ARG 25 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3jvo h ASP 26 N 0.66 0.95 -0.26 0.55 3.32 -1.89 -1.33 116.42 118.42 3jvo h ASP 26 Ca -0.06 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 3jvo h ASP 26 Cb 1.30 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 3jvo h ASP 26 CO 0.03 0.71 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.99 3jvo h GLU 27 N 1.10 0.58 -0.26 3.56 4.81 -1.91 -0.92 114.58 121.54 3jvo h GLU 27 Ca 0.29 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3jvo h GLU 27 Cb -0.08 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3jvo h GLU 27 CO -0.06 0.86 0.03 1.25 -0.73 0.00 0.00 179.01 180.36 3jvo h LEU 28 N 0.30 0.42 -1.03 1.64 5.85 -1.89 -2.24 115.31 118.35 3jvo h LEU 28 Ca 0.05 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3jvo h LEU 28 Cb 0.72 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 3jvo h LEU 28 CO 0.05 0.59 0.65 0.40 -0.34 0.00 0.00 178.44 179.79 3jvo h ILE 29 N 0.24 1.24 -0.68 4.05 2.04 -1.25 -1.29 117.51 121.86 3jvo h ILE 29 Ca 0.08 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3jvo h ILE 29 Cb 0.35 -0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 3jvo h ILE 29 CO 0.01 0.24 0.36 0.74 0.00 0.00 0.00 178.15 179.50 3jvo h THR 30 N 1.32 1.22 -0.41 -0.27 2.02 -1.06 0.47 112.91 116.20 3jvo h THR 30 Ca 0.37 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3jvo h THR 30 Cb -0.13 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 3jvo h THR 30 CO -0.09 0.24 0.25 0.25 0.37 0.00 0.00 175.52 176.54 3jvo h LEU 31 N 0.94 0.49 -0.80 2.58 6.46 -0.73 0.70 115.31 124.96 3jvo h LEU 31 Ca 0.24 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 3jvo h LEU 31 Cb 0.06 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 3jvo h LEU 31 CO -0.04 0.41 0.47 1.88 -0.62 0.00 0.00 178.44 180.53 3jvo h TYR 32 N 0.54 1.07 -0.27 1.25 0.05 -0.98 0.12 116.97 118.75 3jvo h TYR 32 Ca 0.15 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 3jvo h TYR 32 Cb 0.00 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.38 3jvo h TYR 32 CO -0.03 0.73 0.16 0.00 -1.05 0.00 0.00 178.16 177.97 3jvo h ALA 33 N 1.25 0.35 -0.60 3.88 0.00 -0.42 0.37 119.26 124.08 3jvo h ALA 33 Ca 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3jvo h ALA 33 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3jvo h ALA 33 CO -0.05 -0.15 0.22 1.96 0.00 0.00 0.00 179.25 181.23 3jvo h GLN 34 N 0.34 0.92 -0.39 0.00 4.20 -0.66 -0.63 115.11 118.88 3jvo h GLN 34 Ca 0.10 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 3jvo h GLN 34 Cb 0.02 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3jvo h GLN 34 CO -0.02 0.80 0.18 0.00 -0.67 0.00 0.00 178.83 179.12 3jvo h ALA 35 N 1.08 0.50 -0.37 3.87 0.00 -0.76 0.89 119.26 124.46 3jvo h ALA 35 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3jvo h ALA 35 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3jvo h ALA 35 CO -0.01 0.07 0.21 0.00 0.00 0.00 0.00 179.25 179.51 3jvo h ALA 36 N 1.03 0.48 -0.24 0.00 0.00 -0.71 0.23 119.26 120.04 3jvo h ALA 36 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3jvo h ALA 36 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3jvo h ALA 36 CO -0.02 -0.00 0.12 0.35 0.00 0.00 0.00 179.25 179.71 3jvo h PHE 37 N 0.47 0.34 -0.30 0.00 3.57 -1.01 -0.74 116.94 119.28 3jvo h PHE 37 Ca 0.13 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3jvo h PHE 37 Cb 0.05 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 3jvo h PHE 37 CO -0.03 0.31 0.08 0.22 -2.23 0.00 0.00 178.31 176.66 3jvo h ASP 38 N 0.27 0.06 -0.04 0.41 3.58 -0.68 -2.82 116.42 117.21 3jvo h ASP 38 Ca 0.08 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.60 3jvo h ASP 38 Cb 0.09 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 3jvo h ASP 38 CO -0.01 0.07 -0.13 0.22 -2.88 0.00 0.00 179.24 176.51 3jvo h TYR 39 N 0.20 -0.32 0.00 0.28 3.20 -0.66 -1.58 116.97 118.09 3jvo h TYR 39 Ca 0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3jvo h TYR 39 Cb 0.12 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3jvo h TYR 39 CO -0.15 -0.19 0.00 0.00 -1.64 0.00 0.00 178.16 176.18 3jvo n ARG 42 N 0.70 0.00 -0.23 0.00 3.00 -0.59 -1.31 116.66 118.22 3jvo n ARG 42 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.79 3jvo n ARG 42 Cb 0.20 0.00 0.06 0.00 0.00 0.00 0.00 32.46 32.72 3jvo n ARG 42 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 3jvo h TRP 43 N 0.00 0.80 -0.28 -1.55 7.01 -1.42 -2.86 115.95 117.65 3jvo h TRP 43 Ca 0.00 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 60.87 3jvo h TRP 43 Cb 0.00 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 26.78 3jvo h TRP 43 CO 0.00 0.49 -0.43 0.00 -2.79 0.00 0.00 178.44 175.71 3jvo n ASP 45 N -4.03 -2.55 -4.14 0.00 2.03 -1.08 -0.28 116.55 106.50 3jvo n ASP 45 Ca -0.02 -0.75 -0.38 0.00 0.52 0.00 0.00 54.79 54.16 3jvo n ASP 45 Cb 0.54 -4.29 -0.11 0.00 -0.72 0.00 0.00 41.12 36.55 3jvo n ASP 45 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3jvo s GLU 46 N -6.04 2.17 0.61 -0.67 2.56 -1.26 -4.41 118.70 111.67 3jvo s GLU 46 Ca 0.19 -1.85 0.39 0.00 0.00 0.00 0.00 54.97 53.70 3jvo s GLU 46 Cb -0.09 -3.69 1.94 0.00 2.00 0.00 0.00 34.13 34.29 3jvo s GLU 46 CO 0.79 -1.12 2.20 -1.35 -0.56 0.00 0.00 175.26 175.23 3jvo h PRO 47 N 8.10 0.00 0.00 4.30 0.11 -2.01 -3.10 132.00 139.40 3jvo h PRO 47 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3jvo h PRO 47 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3jvo h PRO 47 CO 0.74 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 3jvo n ALA 48 N -2.09 1.89 -2.65 -0.75 0.00 -1.26 -4.46 120.51 111.19 3jvo n ALA 48 Ca -0.01 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 3jvo n ALA 48 Cb 0.18 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 3jvo n ALA 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3jvo s TRP 49 N -3.24 2.48 -0.14 0.00 0.51 -1.17 -4.81 118.94 112.56 3jvo s TRP 49 Ca 0.07 -0.43 0.10 0.00 -2.12 0.00 0.00 56.10 53.71 3jvo s TRP 49 Cb 0.10 -4.54 -0.23 0.00 -0.81 0.00 0.00 33.47 27.99 3jvo s TRP 49 CO 0.47 -1.91 0.27 1.63 -0.51 0.00 0.00 176.95 176.90 3jvo n LYS 50 N 8.69 0.68 -4.31 4.98 4.76 -1.26 -4.98 118.16 126.71 3jvo n LYS 50 Ca 0.09 0.16 -0.17 0.00 -2.87 0.00 0.00 58.31 55.53 3jvo n LYS 50 Cb 0.49 -1.64 -0.10 0.00 -1.84 0.00 0.00 35.03 31.93 3jvo n LYS 50 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3jvo s VAL 51 N -2.54 1.32 0.28 -0.18 -7.23 -1.26 -4.79 120.40 105.99 3jvo s VAL 51 Ca -0.14 -2.10 -0.03 0.00 -1.81 0.00 0.00 61.98 57.90 3jvo s VAL 51 Cb 0.07 -2.09 0.38 0.00 0.56 0.00 0.00 36.38 35.31 3jvo s VAL 51 CO 0.78 -0.56 1.59 0.00 -0.31 0.00 0.00 175.10 176.61 3jvo h ALA 52 N 2.60 0.93 0.00 1.32 0.00 -1.92 0.10 119.26 122.28 3jvo h ALA 52 Ca -0.38 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3jvo h ALA 52 Cb 1.21 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3jvo h ALA 52 CO 0.64 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3jvo h ALA 53 N 1.90 1.00 0.00 0.00 0.00 -1.97 -2.48 119.26 117.70 3jvo h ALA 53 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3jvo h ALA 53 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3jvo h ALA 53 CO -0.86 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 177.95 3jvo h ASP 54 N 0.00 0.00 -2.83 0.00 3.32 -1.19 -3.45 116.42 112.27 3jvo h ASP 54 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 3jvo h ASP 54 Cb 0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3jvo h ASP 54 CO 0.00 0.00 0.95 -0.63 -1.72 0.00 0.00 179.24 177.84 3jvo s ILE 55 N -3.36 4.02 0.72 0.35 -1.09 -0.94 -4.92 121.20 115.98 3jvo s ILE 55 Ca 0.05 1.25 -0.12 0.00 -2.23 0.00 0.00 60.65 59.60 3jvo s ILE 55 Cb 0.08 -3.81 0.03 0.00 -1.58 0.00 0.00 42.46 37.18 3jvo s ILE 55 CO 0.58 -0.10 1.10 -2.84 -1.23 0.00 0.00 174.94 172.46 3jvo s PRO 56 N 3.52 2.48 0.25 2.79 0.02 -1.26 -4.87 135.00 137.93 3jvo s PRO 56 Ca 0.61 1.27 -0.02 0.00 0.02 0.00 0.00 61.00 62.89 3jvo s PRO 56 Cb -0.26 -1.92 0.31 0.00 0.02 0.00 0.00 34.50 32.65 3jvo s PRO 56 CO 0.20 -1.48 1.72 0.00 -0.33 0.00 0.00 177.00 177.12 3jvo h ALA 57 N -0.63 1.05 -0.65 -1.55 0.00 -1.99 -2.46 119.26 113.04 3jvo h ALA 57 Ca -0.45 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.11 3jvo h ALA 57 Cb 1.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3jvo h ALA 57 CO 0.52 0.58 0.21 0.00 0.00 0.00 0.00 179.25 180.56 3jvo h ALA 58 N 1.22 1.15 -0.58 0.00 0.00 -1.99 -1.17 119.26 117.90 3jvo h ALA 58 Ca 0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3jvo h ALA 58 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3jvo h ALA 58 CO 0.03 0.59 0.11 0.28 0.00 0.00 0.00 179.25 180.27 3jvo h VAL 59 N 0.95 1.25 -0.94 0.00 2.07 -1.84 -1.32 116.25 116.42 3jvo h VAL 59 Ca 0.21 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.84 3jvo h VAL 59 Cb 0.26 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3jvo h VAL 59 CO -0.01 0.35 0.60 0.11 0.02 0.00 0.00 177.57 178.64 3jvo h LYS 60 N 0.84 1.10 -0.71 1.57 1.57 -1.04 0.55 116.57 120.45 3jvo h LYS 60 Ca 0.18 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3jvo h LYS 60 Cb 0.39 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3jvo h LYS 60 CO 0.01 0.73 0.46 0.78 -0.57 0.00 0.00 179.45 180.86 3jvo h GLY 61 N 1.13 1.00 0.93 3.86 0.00 -0.68 -1.55 103.07 107.76 3jvo h GLY 61 Ca 0.39 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 3jvo h GLY 61 CO -0.15 0.35 0.07 0.00 0.00 0.00 0.00 176.54 176.81 3jvo h ALA 62 N 1.27 0.52 -0.74 3.60 0.00 -0.34 -2.63 119.26 120.94 3jvo h ALA 62 Ca 0.26 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3jvo h ALA 62 Cb -0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.49 3jvo h ALA 62 CO -0.06 0.22 0.40 0.28 0.00 0.00 0.00 179.25 180.09 3jvo h VAL 63 N 0.49 0.90 -0.68 0.00 2.07 -0.60 -1.40 116.25 117.04 3jvo h VAL 63 Ca 0.12 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3jvo h VAL 63 Cb 0.36 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3jvo h VAL 63 CO 0.01 0.13 0.41 -0.07 0.02 0.00 0.00 177.57 178.07 3jvo h LEU 64 N 0.69 0.81 -0.42 2.57 3.38 -1.15 -0.39 115.31 120.80 3jvo h LEU 64 Ca 0.35 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 3jvo h LEU 64 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3jvo h LEU 64 CO -0.24 0.63 0.12 -0.07 0.09 0.00 0.00 178.44 178.98 3jvo h LEU 65 N 0.92 0.62 -0.47 1.67 3.38 -1.07 -1.16 115.31 119.20 3jvo h LEU 65 Ca 0.24 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3jvo h LEU 65 Cb -0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3jvo h LEU 65 CO -0.05 0.67 -0.05 0.58 0.09 0.00 0.00 178.44 179.69 3jvo h VAL 66 N 0.54 1.27 0.07 1.22 2.07 -1.17 -2.02 116.25 118.23 3jvo h VAL 66 Ca 0.13 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.52 3jvo h VAL 66 Cb 0.28 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3jvo h VAL 66 CO -0.00 0.39 -0.09 0.15 0.02 0.00 0.00 177.57 178.04 3jvo h PHE 67 N 0.70 -0.23 -0.67 1.57 3.57 -0.97 -2.98 116.94 117.94 3jvo h PHE 67 Ca 0.13 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3jvo h PHE 67 Cb 0.57 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 3jvo h PHE 67 CO 0.04 -0.14 0.26 0.00 -2.23 0.00 0.00 178.31 176.24 3jvo h ALA 68 N 0.73 1.19 0.00 2.41 0.00 -1.17 -1.28 119.26 121.15 3jvo h ALA 68 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3jvo h ALA 68 Cb 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3jvo h ALA 68 CO -0.04 0.59 0.00 -3.47 0.00 0.00 0.00 179.25 176.32 3jvo n ASP 69 N -4.30 0.00 0.00 0.00 2.03 -0.76 -1.10 116.55 112.42 3jvo n ASP 69 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 3jvo n ASP 69 Cb 0.18 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 3jvo n ASP 69 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3jvo n PHE 71 N 0.62 0.00 -0.00 -0.67 7.35 -0.48 -0.88 117.46 123.40 3jvo n PHE 71 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 3jvo n PHE 71 Cb 0.00 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.70 3jvo n PHE 71 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3jvo h GLU 72 N 0.00 0.00 -4.35 -4.13 4.39 -1.39 -3.43 114.58 105.67 3jvo h GLU 72 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 3jvo h GLU 72 Cb 0.00 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.25 3jvo h GLU 72 CO 0.00 0.56 -0.73 -1.01 -1.16 0.00 0.00 179.01 176.67 3jvo s HIS 73 N -2.65 3.24 -1.44 4.33 3.76 -0.06 -4.99 115.29 117.47 3jvo s HIS 73 Ca -0.03 -2.71 0.23 0.00 -0.15 0.00 0.00 55.06 52.40 3jvo s HIS 73 Cb 0.08 -2.62 0.17 0.00 1.11 0.00 0.00 32.58 31.32 3jvo s HIS 73 CO 0.82 -0.92 1.18 0.54 -0.85 0.00 0.00 174.74 175.51 3jvo n ARG 74 N 4.34 0.51 -4.68 1.40 5.12 -1.26 -4.96 116.66 117.13 3jvo n ARG 74 Ca 0.03 -0.38 -0.30 0.00 -1.93 0.00 0.00 57.85 55.27 3jvo n ARG 74 Cb 0.42 -1.49 -0.14 0.00 -1.16 0.00 0.00 32.46 30.08 3jvo n ARG 74 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3jvo s THR 75 N -2.75 2.22 0.31 0.55 -4.23 -1.26 -5.02 115.64 105.45 3jvo s THR 75 Ca 0.15 -1.54 0.34 0.00 -1.18 0.00 0.00 61.69 59.46 3jvo s THR 75 Cb 0.18 -1.92 0.37 0.00 1.34 0.00 0.00 72.50 72.47 3jvo s THR 75 CO 0.68 0.25 2.09 0.00 -0.54 0.00 0.00 174.62 177.10 3jvo h ALA 76 N 4.39 1.06 -3.25 3.99 0.00 -2.06 -3.42 119.26 119.97 3jvo h ALA 76 Ca -0.48 -0.04 -0.39 0.00 0.00 0.00 0.00 54.91 54.00 3jvo h ALA 76 Cb 1.15 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.73 3jvo h ALA 76 CO 0.42 0.06 -0.77 -0.65 0.00 0.00 0.00 179.25 178.31 3jvo s GLN 77 N -3.90 0.82 0.08 0.00 -0.21 -1.26 -5.17 119.66 110.01 3jvo s GLN 77 Ca -0.01 -0.99 0.01 0.00 0.02 0.00 0.00 55.36 54.38 3jvo s GLN 77 Cb 0.11 -0.75 -0.04 0.00 1.00 0.00 0.00 33.01 33.33 3jvo s GLN 77 CO 0.53 0.16 -0.06 -1.54 -2.12 0.00 0.00 175.29 172.26 3jvo s SER 78 N -1.89 0.92 0.43 5.90 1.04 -1.26 -5.03 113.70 113.81 3jvo s SER 78 Ca -0.01 -0.93 0.23 0.00 0.48 0.00 0.00 55.95 55.72 3jvo s SER 78 Cb -0.09 0.11 0.61 0.00 0.10 0.00 0.00 66.02 66.76 3jvo s SER 78 CO 0.02 -0.46 1.70 -0.33 0.98 0.00 0.00 173.24 175.14 3jvo h GLU 79 N 3.24 0.00 -5.76 4.02 3.07 -2.02 -3.43 114.58 113.70 3jvo h GLU 79 Ca -0.35 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 57.85 3jvo h GLU 79 Cb 1.17 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.90 3jvo h GLU 79 CO 0.61 0.16 -0.65 0.14 -1.40 0.00 0.00 179.01 177.88 3jvo s VAL 80 N -3.35 4.09 0.27 3.13 -7.23 -1.26 -5.08 120.40 110.97 3jvo s VAL 80 Ca 0.04 -0.31 -0.31 0.00 -1.81 0.00 0.00 61.98 59.59 3jvo s VAL 80 Cb 0.08 -2.74 -0.13 0.00 0.56 0.00 0.00 36.38 34.15 3jvo s VAL 80 CO 0.65 0.56 1.49 1.67 -0.31 0.00 0.00 175.10 179.17 3jvo n GLN 81 N 2.68 2.35 -3.74 4.82 -0.06 -1.26 -5.00 117.38 117.16 3jvo n GLN 81 Ca -0.18 0.83 -0.36 0.00 -2.00 0.00 0.00 57.00 55.30 3jvo n GLN 81 Cb 0.53 -2.55 -0.06 0.00 -4.06 0.00 0.00 30.24 24.11 3jvo n GLN 81 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3jvo s LEU 82 N -0.20 4.39 -0.11 1.69 1.43 -1.26 -5.10 118.68 119.52 3jvo s LEU 82 Ca 0.66 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.38 3jvo s LEU 82 Cb -0.58 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 3jvo s LEU 82 CO 0.49 0.29 -0.15 -0.31 0.23 0.00 0.00 176.35 176.91 3jvo s TYR 83 N -1.21 2.74 0.24 0.29 2.02 -1.26 -5.09 117.35 115.08 3jvo s TYR 83 Ca 0.24 -0.62 -0.30 0.00 -0.37 0.00 0.00 57.07 56.02 3jvo s TYR 83 Cb -0.14 -1.78 -0.10 0.00 -0.40 0.00 0.00 41.96 39.54 3jvo s TYR 83 CO 0.13 -0.18 1.47 -2.00 -1.57 0.00 0.00 175.55 173.41 3jvo s GLU 84 N 0.16 4.24 -0.40 -0.62 2.12 -1.26 -4.97 118.70 117.97 3jvo s GLU 84 Ca -0.08 2.34 -0.20 0.00 0.36 0.00 0.00 54.97 57.39 3jvo s GLU 84 Cb -0.15 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.14 3jvo s GLU 84 CO 0.05 -0.47 0.61 1.21 -0.54 0.00 0.00 175.26 176.12 3jvo s ASN 85 N 0.49 6.34 0.62 -1.70 2.47 -1.26 -4.95 114.94 116.95 3jvo s ASN 85 Ca 0.61 -0.18 0.38 0.00 0.42 0.00 0.00 52.86 54.09 3jvo s ASN 85 Cb -0.43 -2.31 2.04 0.00 -1.45 0.00 0.00 41.25 39.10 3jvo s ASN 85 CO 0.42 -0.67 2.26 0.00 -3.72 0.00 0.00 177.10 175.39 3jvo h ALA 86 N 8.69 1.16 -0.86 1.71 0.00 -2.03 -2.72 119.26 125.21 3jvo h ALA 86 Ca -0.26 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3jvo h ALA 86 Cb 1.11 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 3jvo h ALA 86 CO 0.85 0.02 0.53 0.00 0.00 0.00 0.00 179.25 180.65 3jvo h ALA 87 N 1.98 1.18 0.14 0.00 0.00 -1.99 -2.20 119.26 118.37 3jvo h ALA 87 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3jvo h ALA 87 Cb 0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3jvo h ALA 87 CO 0.00 0.27 -0.41 0.00 0.00 0.00 0.00 179.25 179.12 3jvo h ALA 88 N 1.41 -0.73 -0.12 0.00 0.00 -1.87 -2.53 119.26 115.42 3jvo h ALA 88 Ca 0.38 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 3jvo h ALA 88 Cb 0.18 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3jvo h ALA 88 CO -0.18 -0.97 -0.42 1.05 0.00 0.00 0.00 179.25 178.73 3jvo h GLU 89 N -0.65 0.28 -4.75 0.00 -0.00 -1.74 -3.43 114.58 104.28 3jvo h GLU 89 Ca 0.02 -0.13 -0.62 0.00 -0.00 0.00 0.00 59.36 58.63 3jvo h GLU 89 Cb 0.67 -0.00 0.10 0.00 -0.00 0.00 0.00 28.75 29.52 3jvo h GLU 89 CO -0.22 0.65 1.80 0.54 -0.00 0.00 0.00 179.01 181.78 3jvo n ARG 90 N -4.02 0.72 0.00 1.06 1.74 -0.84 -4.55 116.66 110.77 3jvo n ARG 90 Ca -0.02 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.66 3jvo n ARG 90 Cb 0.49 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 3jvo n ARG 90 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3jvo n PHE 93 N 8.35 0.00 0.29 -1.55 7.35 -1.26 -4.81 117.46 125.83 3jvo n PHE 93 Ca 0.48 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 57.34 3jvo n PHE 93 Cb 0.41 0.00 0.79 0.00 0.35 0.00 0.00 39.48 41.04 3jvo n PHE 93 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 3jvo h ILE 94 N 0.00 0.00 0.00 -2.13 6.09 -1.97 -2.63 117.51 116.86 3jvo h ILE 94 Ca 0.00 -0.16 -0.01 0.00 -1.37 0.00 0.00 64.86 63.33 3jvo h ILE 94 Cb 0.00 0.96 -0.01 0.00 0.47 0.00 0.00 36.82 38.24 3jvo h ILE 94 CO 0.00 0.00 -0.21 1.41 -3.07 0.00 0.00 178.15 176.28 3jvo n HIS 95 N -2.70 0.00 -2.17 2.19 8.25 -1.26 -5.09 115.22 114.45 3jvo n HIS 95 Ca -0.01 -0.74 -0.35 0.00 -0.26 0.00 0.00 57.72 56.36 3jvo n HIS 95 Cb 0.14 -0.13 0.01 0.00 1.12 0.00 0.00 29.99 31.14 3jvo n HIS 95 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3jvo s ARG 96 N -2.01 3.22 0.00 -0.41 3.52 -0.99 -4.85 118.95 117.44 3jvo s ARG 96 Ca 0.24 1.65 0.09 0.00 -0.13 0.00 0.00 55.73 57.57 3jvo s ARG 96 Cb 0.21 -1.98 0.07 0.00 -1.56 0.00 0.00 34.95 31.69 3jvo s ARG 96 CO 0.01 -0.96 0.78 -1.71 -0.81 0.00 0.00 175.30 172.60