#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 5.04 -0.18 0.00 1.01 -1.26 -5.04 121.20 120.77 3jvo s ILE 3 Ca 0.00 1.34 -0.29 0.00 0.00 0.00 0.00 60.65 61.70 3jvo s ILE 3 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3jvo s ILE 3 CO 0.00 0.29 1.04 -0.62 0.00 0.00 0.00 174.94 175.64 3jvo s ASP 4 N 0.63 7.14 0.38 3.58 -1.08 -1.26 -4.96 116.67 121.10 3jvo s ASP 4 Ca 0.35 1.45 0.13 0.00 -0.52 0.00 0.00 52.55 53.95 3jvo s ASP 4 Cb -0.17 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.68 3jvo s ASP 4 CO 0.17 -0.60 1.84 1.62 0.52 0.00 0.00 175.17 178.73 3jvo h VAL 5 N 5.32 0.73 0.00 1.11 3.04 -1.93 -0.82 116.25 123.70 3jvo h VAL 5 Ca -0.24 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 3jvo h VAL 5 Cb 1.09 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 3jvo h VAL 5 CO 0.94 0.10 0.00 -0.07 -1.01 0.00 0.00 177.57 177.53 3jvo h LEU 6 N 0.56 0.00 -0.62 3.16 3.38 -1.93 0.85 115.31 120.70 3jvo h LEU 6 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 3jvo h LEU 6 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3jvo h LEU 6 CO -0.22 0.00 0.00 0.44 0.09 0.00 0.00 178.44 178.75 3jvo h ASP 7 N 0.00 0.00 0.02 -0.43 3.32 -1.55 -3.34 116.42 114.44 3jvo h ASP 7 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3jvo h ASP 7 Cb 0.29 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3jvo h ASP 7 CO 0.00 0.00 -1.75 0.52 -1.72 0.00 0.00 179.24 176.29 3jvo n VAL 8 N -2.95 1.58 -3.81 -1.35 0.31 0.10 -4.79 118.33 107.42 3jvo n VAL 8 Ca 0.03 -0.25 -0.20 0.00 -0.01 0.00 0.00 64.34 63.90 3jvo n VAL 8 Cb 0.41 -1.92 -0.17 0.00 -0.91 0.00 0.00 33.84 31.25 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 -2.44 0.20 0.70 2.52 1.01 -0.12 -5.06 121.20 118.02 3jvo s ILE 9 Ca -0.30 0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.40 3jvo s ILE 9 Cb 0.08 -0.36 0.02 0.00 0.01 0.00 0.00 42.46 42.21 3jvo s ILE 9 CO 0.60 0.20 1.08 -0.94 0.00 0.00 0.00 174.94 175.89 3jvo s SER 10 N 1.69 5.07 0.35 3.58 1.04 -1.25 -3.94 113.70 120.24 3jvo s SER 10 Ca -0.00 1.79 0.04 0.00 0.48 0.00 0.00 55.95 58.26 3jvo s SER 10 Cb -0.13 -2.52 0.68 0.00 0.10 0.00 0.00 66.02 64.15 3jvo s SER 10 CO -0.03 -1.65 1.98 0.25 0.98 0.00 0.00 173.24 174.77 3jvo h LEU 11 N -0.56 0.70 -1.26 2.42 5.85 -1.95 -2.01 115.31 118.52 3jvo h LEU 11 Ca -0.45 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 3jvo h LEU 11 Cb 1.23 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3jvo h LEU 11 CO 0.54 0.48 0.07 0.77 -0.34 0.00 0.00 178.44 179.97 3jvo h SER 12 N 0.82 0.54 -0.52 1.25 4.64 -1.99 -1.22 113.55 117.06 3jvo h SER 12 Ca 0.27 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 3jvo h SER 12 Cb 0.08 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3jvo h SER 12 CO -0.08 0.56 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.23 3jvo h LEU 13 N 0.57 1.03 -0.69 5.97 3.38 -1.73 -0.57 115.31 123.26 3jvo h LEU 13 Ca 0.13 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3jvo h LEU 13 Cb 0.25 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3jvo h LEU 13 CO 0.00 1.16 0.43 -0.26 0.09 0.00 0.00 178.44 179.85 3jvo h PHE 14 N 0.89 0.80 -0.58 1.13 0.04 -1.11 0.29 116.94 118.40 3jvo h PHE 14 Ca 0.13 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.83 3jvo h PHE 14 Cb 0.71 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 3jvo h PHE 14 CO 0.05 0.46 0.02 0.87 -0.60 0.00 0.00 178.31 179.11 3jvo h LYS 15 N 0.84 1.01 -0.76 1.51 1.57 -0.94 -2.90 116.57 116.91 3jvo h LYS 15 Ca 0.28 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3jvo h LYS 15 Cb 0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3jvo h LYS 15 CO -0.11 0.99 0.29 1.96 -0.57 0.00 0.00 179.45 182.01 3jvo h GLN 16 N 0.91 1.14 -0.77 3.15 4.20 -0.76 -0.39 115.11 122.58 3jvo h GLN 16 Ca 0.17 -0.21 0.17 0.00 0.06 0.00 0.00 58.65 58.84 3jvo h GLN 16 Cb 0.52 -0.18 -0.11 0.00 0.30 0.00 0.00 27.48 28.01 3jvo h GLN 16 CO 0.03 0.93 0.22 0.37 -0.67 0.00 0.00 178.83 179.70 3jvo h GLN 17 N 1.11 0.28 -0.73 1.46 5.75 -0.74 -1.65 115.11 120.59 3jvo h GLN 17 Ca 0.25 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3jvo h GLN 17 Cb 0.23 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.72 3jvo h GLN 17 CO -0.02 0.19 0.00 0.44 -2.65 0.00 0.00 178.83 176.79 3jvo n ILE 18 N -5.14 1.06 -3.96 2.39 -5.35 -1.14 -4.97 119.36 102.25 3jvo n ILE 18 Ca 0.16 -1.01 -0.29 0.00 -0.27 0.00 0.00 62.75 61.33 3jvo n ILE 18 Cb 0.50 0.47 0.01 0.00 -1.74 0.00 0.00 39.64 38.88 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 1.60 -4.42 -3.69 6.28 1.02 -0.45 -4.93 120.64 116.05 3jvo n GLU 19 Ca 0.24 0.51 -0.37 0.00 -0.02 0.00 0.00 57.16 57.52 3jvo n GLU 19 Cb 0.64 -5.15 -0.12 0.00 -0.02 0.00 0.00 31.44 26.79 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 -3.50 3.14 -0.72 -0.32 5.36 -0.28 -4.98 117.98 116.68 3jvo s PHE 20 Ca 0.43 -0.25 0.21 0.00 -0.96 0.00 0.00 56.93 56.36 3jvo s PHE 20 Cb -0.22 -2.30 -0.25 0.00 -0.34 0.00 0.00 43.02 39.90 3jvo s PHE 20 CO 0.86 -0.30 0.78 0.39 -1.46 0.00 0.00 175.22 175.49 3jvo n GLU 21 N 4.98 0.19 -1.62 10.12 1.02 -1.26 -4.62 120.64 129.45 3jvo n GLU 21 Ca -0.15 -0.06 -0.31 0.00 -0.02 0.00 0.00 57.16 56.62 3jvo n GLU 21 Cb 0.51 -1.51 0.05 0.00 -0.02 0.00 0.00 31.44 30.47 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 -3.15 2.99 0.00 3.49 8.01 -1.26 -5.00 118.70 123.78 3jvo s GLU 22 Ca 0.03 0.97 0.15 0.00 0.01 0.00 0.00 54.97 56.14 3jvo s GLU 22 Cb 0.15 -2.00 0.27 0.00 -4.31 0.00 0.00 34.13 28.25 3jvo s GLU 22 CO 0.88 -1.06 1.17 -0.40 0.01 0.00 0.00 175.26 175.87 3jvo n ASP 23 N -3.03 2.79 -1.10 -0.19 3.85 -1.26 -4.62 116.55 113.00 3jvo n ASP 23 Ca 0.08 -1.82 0.09 0.00 -0.71 0.00 0.00 54.79 52.42 3jvo n ASP 23 Cb 0.53 -0.16 0.26 0.00 -1.35 0.00 0.00 41.12 40.41 3jvo n ASP 23 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3jvo n ASP 24 N 0.91 3.76 -0.45 -1.12 5.75 -1.26 -4.33 116.55 119.80 3jvo n ASP 24 Ca 0.13 -2.20 0.06 0.00 -0.01 0.00 0.00 54.79 52.77 3jvo n ASP 24 Cb 0.44 -0.42 0.10 0.00 -1.03 0.00 0.00 41.12 40.22 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 0.91 0.84 -0.24 0.11 5.12 -1.26 -4.87 116.66 117.27 3jvo n ARG 25 Ca 0.20 -2.22 0.00 0.00 -1.93 0.00 0.00 57.85 53.90 3jvo n ARG 25 Cb 0.64 -1.07 0.22 0.00 -1.16 0.00 0.00 32.46 31.09 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 0.30 0.91 -0.30 0.55 3.32 -1.90 0.55 116.42 119.85 3jvo h ASP 26 Ca -0.03 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3jvo h ASP 26 Cb 1.22 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 3jvo h ASP 26 CO 0.01 0.66 0.05 -0.08 -1.72 0.00 0.00 179.24 178.17 3jvo h GLU 27 N 1.07 0.49 -0.06 3.56 4.81 -1.94 0.18 114.58 122.69 3jvo h GLU 27 Ca 0.29 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3jvo h GLU 27 Cb -0.11 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 3jvo h GLU 27 CO -0.06 0.59 0.02 1.25 -0.73 0.00 0.00 179.01 180.08 3jvo h LEU 28 N 0.31 0.08 -0.86 1.64 5.85 -1.87 -1.95 115.31 118.51 3jvo h LEU 28 Ca 0.09 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3jvo h LEU 28 Cb 0.34 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 3jvo h LEU 28 CO 0.01 0.22 0.53 0.40 -0.34 0.00 0.00 178.44 179.25 3jvo h ILE 29 N -0.07 1.02 -0.68 4.05 2.04 -0.85 -1.27 117.51 121.75 3jvo h ILE 29 Ca 0.02 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3jvo h ILE 29 Cb 0.17 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 3jvo h ILE 29 CO -0.00 0.17 0.40 0.74 0.00 0.00 0.00 178.15 179.46 3jvo h THR 30 N 0.94 1.20 -0.40 -0.27 2.02 -0.85 -0.67 112.91 114.89 3jvo h THR 30 Ca 0.38 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 67.11 3jvo h THR 30 Cb 0.21 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3jvo h THR 30 CO -0.19 0.21 0.24 0.25 0.37 0.00 0.00 175.52 176.40 3jvo h LEU 31 N 0.93 0.39 -0.46 2.58 6.46 -0.50 0.24 115.31 124.95 3jvo h LEU 31 Ca 0.24 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 58.02 3jvo h LEU 31 Cb -0.00 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 3jvo h LEU 31 CO -0.04 0.28 0.29 1.88 -0.62 0.00 0.00 178.44 180.23 3jvo h TYR 32 N 0.49 0.54 -0.49 1.25 0.05 -1.00 -0.59 116.97 117.22 3jvo h TYR 32 Ca 0.15 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 3jvo h TYR 32 Cb -0.01 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 3jvo h TYR 32 CO -0.07 0.32 0.29 0.00 -1.05 0.00 0.00 178.16 177.65 3jvo h ALA 33 N 1.19 0.62 -0.62 3.88 0.00 -0.70 0.58 119.26 124.20 3jvo h ALA 33 Ca 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3jvo h ALA 33 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3jvo h ALA 33 CO -0.06 0.12 0.22 1.96 0.00 0.00 0.00 179.25 181.49 3jvo h GLN 34 N 0.65 0.95 -0.27 0.00 4.20 -0.34 -1.00 115.11 119.29 3jvo h GLN 34 Ca 0.17 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3jvo h GLN 34 Cb 0.01 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3jvo h GLN 34 CO -0.03 0.82 0.17 0.00 -0.67 0.00 0.00 178.83 179.12 3jvo h ALA 35 N 1.08 0.34 -0.55 3.87 0.00 -0.85 -0.93 119.26 122.23 3jvo h ALA 35 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3jvo h ALA 35 Cb 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3jvo h ALA 35 CO -0.01 -0.16 0.34 0.00 0.00 0.00 0.00 179.25 179.42 3jvo h ALA 36 N 1.06 0.69 -0.36 0.00 0.00 -0.69 -0.29 119.26 119.68 3jvo h ALA 36 Ca 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3jvo h ALA 36 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3jvo h ALA 36 CO -0.02 0.17 0.11 0.35 0.00 0.00 0.00 179.25 179.86 3jvo h PHE 37 N 0.74 0.58 -0.32 0.00 3.57 -1.12 -1.14 116.94 119.25 3jvo h PHE 37 Ca 0.20 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3jvo h PHE 37 Cb -0.03 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3jvo h PHE 37 CO -0.03 0.57 0.20 0.22 -2.23 0.00 0.00 178.31 177.04 3jvo h ASP 38 N 0.43 0.33 0.13 0.41 3.58 -1.03 -2.95 116.42 117.32 3jvo h ASP 38 Ca 0.12 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.57 3jvo h ASP 38 Cb 0.26 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 3jvo h ASP 38 CO -0.00 0.24 -0.19 0.22 -2.88 0.00 0.00 179.24 176.63 3jvo h TYR 39 N 0.40 -0.50 0.00 0.28 3.20 -0.91 -1.62 116.97 117.83 3jvo h TYR 39 Ca 0.12 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3jvo h TYR 39 Cb -0.03 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3jvo h TYR 39 CO -0.06 -0.28 0.00 0.00 -1.64 0.00 0.00 178.16 176.18 3jvo n ARG 42 N 0.69 0.00 -0.10 0.00 1.74 -0.61 -1.47 116.66 116.91 3jvo n ARG 42 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3jvo n ARG 42 Cb 0.10 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.53 3jvo n ARG 42 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 3jvo h TRP 43 N 0.00 0.44 -0.07 -1.55 7.01 -1.48 -3.04 115.95 117.27 3jvo h TRP 43 Ca 0.00 0.00 -0.20 0.00 2.11 0.00 0.00 58.89 60.80 3jvo h TRP 43 Cb 0.00 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 3jvo h TRP 43 CO 0.00 0.31 -0.80 0.00 -2.79 0.00 0.00 178.44 175.16 3jvo n ASP 45 N -3.83 -2.20 -4.15 0.00 2.03 -1.15 -0.85 116.55 106.40 3jvo n ASP 45 Ca -0.06 -0.95 -0.38 0.00 0.52 0.00 0.00 54.79 53.93 3jvo n ASP 45 Cb 0.75 -3.51 -0.09 0.00 -0.72 0.00 0.00 41.12 37.55 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 -6.15 2.51 0.00 -0.67 2.56 -1.26 -4.45 118.70 111.24 3jvo s GLU 46 Ca 0.15 -2.20 0.17 0.00 0.00 0.00 0.00 54.97 53.09 3jvo s GLU 46 Cb -0.05 -3.80 0.75 0.00 2.00 0.00 0.00 34.13 33.03 3jvo s GLU 46 CO 0.85 -1.16 1.54 -0.35 -0.56 0.00 0.00 175.26 175.58 3jvo n PRO 47 N 4.08 0.03 0.20 4.30 -0.04 -1.26 -2.29 135.00 140.03 3jvo n PRO 47 Ca 0.03 0.19 0.15 0.00 -0.04 0.00 0.00 63.50 63.83 3jvo n PRO 47 Cb 0.40 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.00 3jvo n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jvo h ALA 48 N 2.62 1.00 -1.44 0.55 0.00 -2.02 -3.38 119.26 116.59 3jvo h ALA 48 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3jvo h ALA 48 Cb 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.95 3jvo h ALA 48 CO 0.00 0.00 1.03 -1.58 0.00 0.00 0.00 179.25 178.70 3jvo s TRP 49 N -3.54 2.56 -0.13 0.00 0.51 -0.97 -4.81 118.94 112.57 3jvo s TRP 49 Ca 0.02 -0.58 -0.03 0.00 -2.12 0.00 0.00 56.10 53.39 3jvo s TRP 49 Cb 0.09 -4.52 -0.25 0.00 -0.81 0.00 0.00 33.47 27.98 3jvo s TRP 49 CO 0.42 -1.86 0.32 1.63 -0.51 0.00 0.00 176.95 176.96 3jvo n LYS 50 N 8.44 0.73 -4.49 4.98 4.76 -1.26 -4.97 118.16 126.35 3jvo n LYS 50 Ca 0.13 0.25 -0.23 0.00 -2.87 0.00 0.00 58.31 55.58 3jvo n LYS 50 Cb 0.49 -1.69 -0.11 0.00 -1.84 0.00 0.00 35.03 31.88 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 -2.56 1.60 0.26 -0.18 -7.23 -1.26 -4.77 120.40 106.26 3jvo s VAL 51 Ca -0.21 -2.05 -0.02 0.00 -1.81 0.00 0.00 61.98 57.89 3jvo s VAL 51 Cb 0.07 -2.74 0.23 0.00 0.56 0.00 0.00 36.38 34.50 3jvo s VAL 51 CO 0.76 -0.10 1.77 0.00 -0.31 0.00 0.00 175.10 177.21 3jvo h ALA 52 N 2.07 1.24 0.00 1.32 0.00 -1.93 -0.79 119.26 121.16 3jvo h ALA 52 Ca -0.41 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3jvo h ALA 52 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3jvo h ALA 52 CO 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3jvo n ALA 53 N -2.42 1.39 0.20 0.00 0.00 -1.26 -2.26 120.51 116.15 3jvo n ALA 53 Ca 0.16 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.80 3jvo n ALA 53 Cb 0.41 -1.34 0.31 0.00 0.00 0.00 0.00 19.45 18.83 3jvo n ALA 53 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3jvo h ASP 54 N 0.00 0.00 -2.60 0.00 3.32 -1.54 -3.45 116.42 112.15 3jvo h ASP 54 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3jvo h ASP 54 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3jvo h ASP 54 CO 0.00 0.29 1.08 -0.63 -1.72 0.00 0.00 179.24 178.26 3jvo s ILE 55 N -3.42 3.36 0.56 0.35 -1.09 -0.96 -4.89 121.20 115.11 3jvo s ILE 55 Ca 0.02 0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 58.79 3jvo s ILE 55 Cb 0.09 -3.35 -0.05 0.00 -1.58 0.00 0.00 42.46 37.57 3jvo s ILE 55 CO 0.67 -0.04 1.18 -2.84 -1.23 0.00 0.00 174.94 172.69 3jvo s PRO 56 N 3.72 3.19 0.38 2.79 0.02 -1.26 -4.88 135.00 138.96 3jvo s PRO 56 Ca 0.76 1.76 0.11 0.00 0.02 0.00 0.00 61.00 63.64 3jvo s PRO 56 Cb -0.36 -2.01 0.88 0.00 0.02 0.00 0.00 34.50 33.03 3jvo s PRO 56 CO 0.32 -1.02 1.89 0.00 -0.33 0.00 0.00 177.00 177.87 3jvo h ALA 57 N 1.12 1.91 -0.13 -1.55 0.00 -1.98 -1.97 119.26 116.67 3jvo h ALA 57 Ca -0.50 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 3jvo h ALA 57 Cb 1.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3jvo h ALA 57 CO 0.56 -0.13 -0.50 0.00 0.00 0.00 0.00 179.25 179.18 3jvo h ALA 58 N 1.61 0.90 -0.43 0.00 0.00 -2.00 -1.99 119.26 117.37 3jvo h ALA 58 Ca 0.42 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3jvo h ALA 58 Cb 0.73 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3jvo h ALA 58 CO -0.17 0.67 -0.14 0.28 0.00 0.00 0.00 179.25 179.88 3jvo h VAL 59 N 0.27 1.26 -0.70 0.00 2.07 -1.74 -2.25 116.25 115.15 3jvo h VAL 59 Ca 0.01 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3jvo h VAL 59 Cb 0.98 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 3jvo h VAL 59 CO 0.08 0.42 0.40 0.11 0.02 0.00 0.00 177.57 178.59 3jvo h LYS 60 N 0.71 0.97 -0.44 1.57 1.57 -1.07 -0.27 116.57 119.61 3jvo h LYS 60 Ca 0.11 -0.11 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3jvo h LYS 60 Cb 0.63 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 3jvo h LYS 60 CO 0.04 0.72 0.12 0.78 -0.57 0.00 0.00 179.45 180.54 3jvo h GLY 61 N 0.96 0.54 1.04 3.86 0.00 -1.19 -1.41 103.07 106.87 3jvo h GLY 61 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 3jvo h GLY 61 CO -0.04 -0.02 0.28 0.00 0.00 0.00 0.00 176.54 176.76 3jvo h ALA 62 N 1.31 0.96 -0.85 3.60 0.00 -0.85 -2.49 119.26 120.94 3jvo h ALA 62 Ca 0.21 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3jvo h ALA 62 Cb 0.24 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3jvo h ALA 62 CO -0.25 0.59 0.56 0.28 0.00 0.00 0.00 179.25 180.43 3jvo h VAL 63 N 1.07 1.17 -0.64 0.00 2.07 -0.53 -1.71 116.25 117.68 3jvo h VAL 63 Ca 0.24 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3jvo h VAL 63 Cb 0.23 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 3jvo h VAL 63 CO -0.02 0.20 0.14 -0.07 0.02 0.00 0.00 177.57 177.85 3jvo h LEU 64 N 1.11 0.96 -0.46 2.57 3.38 -0.99 -0.73 115.31 121.15 3jvo h LEU 64 Ca 0.33 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3jvo h LEU 64 Cb -0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3jvo h LEU 64 CO -0.09 0.94 -0.01 -0.07 0.09 0.00 0.00 178.44 179.29 3jvo h LEU 65 N 0.97 0.81 -0.34 1.67 3.38 -1.05 -1.05 115.31 119.71 3jvo h LEU 65 Ca 0.20 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3jvo h LEU 65 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3jvo h LEU 65 CO 0.00 0.93 -0.22 0.58 0.09 0.00 0.00 178.44 179.82 3jvo h VAL 66 N 0.68 1.29 0.12 1.22 2.07 -1.15 -2.08 116.25 118.40 3jvo h VAL 66 Ca 0.13 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3jvo h VAL 66 Cb 0.52 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3jvo h VAL 66 CO 0.03 0.44 -0.12 0.15 0.02 0.00 0.00 177.57 178.09 3jvo h PHE 67 N 0.52 -0.32 -0.66 1.57 3.57 -1.11 -2.95 116.94 117.57 3jvo h PHE 67 Ca 0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3jvo h PHE 67 Cb 0.78 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 3jvo h PHE 67 CO 0.06 -0.19 0.39 0.00 -2.23 0.00 0.00 178.31 176.35 3jvo h ALA 68 N 0.58 1.46 0.00 2.41 0.00 -1.15 -1.89 119.26 120.67 3jvo h ALA 68 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3jvo h ALA 68 Cb 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3jvo h ALA 68 CO -0.03 0.47 0.00 -3.47 0.00 0.00 0.00 179.25 176.22 3jvo n ASP 69 N -4.40 0.00 0.00 0.00 2.03 -0.79 -1.15 116.55 112.24 3jvo n ASP 69 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 3jvo n ASP 69 Cb 0.07 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 0.52 0.00 0.04 -0.67 7.35 -0.71 -0.50 117.46 123.48 3jvo n PHE 71 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 3jvo n PHE 71 Cb 0.00 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.73 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 -3.66 -4.13 4.39 -1.42 -3.43 114.58 106.33 3jvo h GLU 72 Ca 0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 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 0.62 -0.71 -1.01 -1.16 0.00 0.00 179.01 176.75 3jvo s HIS 73 N -2.74 2.65 -1.44 4.33 3.76 0.34 -4.98 115.29 117.21 3jvo s HIS 73 Ca -0.01 -2.58 0.25 0.00 -0.15 0.00 0.00 55.06 52.56 3jvo s HIS 73 Cb 0.09 -2.33 0.45 0.00 1.11 0.00 0.00 32.58 31.90 3jvo s HIS 73 CO 0.81 -0.84 1.37 0.54 -0.85 0.00 0.00 174.74 175.77 3jvo n ARG 74 N 3.94 0.50 -4.39 1.40 5.12 -1.26 -4.93 116.66 117.04 3jvo n ARG 74 Ca 0.04 -0.33 -0.29 0.00 -1.93 0.00 0.00 57.85 55.34 3jvo n ARG 74 Cb 0.38 -1.49 -0.13 0.00 -1.16 0.00 0.00 32.46 30.06 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 -2.73 2.35 -0.00 0.55 -4.23 -1.26 -5.03 115.64 105.29 3jvo s THR 75 Ca 0.17 -1.72 0.32 0.00 -1.18 0.00 0.00 61.69 59.28 3jvo s THR 75 Cb 0.18 -2.04 0.37 0.00 1.34 0.00 0.00 72.50 72.35 3jvo s THR 75 CO 0.63 0.10 1.94 0.00 -0.54 0.00 0.00 174.62 176.74 3jvo h ALA 76 N 3.87 1.00 -3.20 3.99 0.00 -2.06 -3.42 119.26 119.44 3jvo h ALA 76 Ca -0.51 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.06 3jvo h ALA 76 Cb 1.17 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.75 3jvo h ALA 76 CO 0.40 0.00 -0.75 -0.65 0.00 0.00 0.00 179.25 178.25 3jvo s GLN 77 N -3.60 0.72 0.08 0.00 -0.21 -1.26 -5.17 119.66 110.21 3jvo s GLN 77 Ca 0.02 -0.92 -0.01 0.00 0.02 0.00 0.00 55.36 54.47 3jvo s GLN 77 Cb 0.09 -0.58 -0.04 0.00 1.00 0.00 0.00 33.01 33.48 3jvo s GLN 77 CO 0.53 0.12 -0.00 -1.54 -2.12 0.00 0.00 175.29 172.27 3jvo s SER 78 N -1.81 0.45 0.27 5.90 1.04 -1.26 -5.03 113.70 113.27 3jvo s SER 78 Ca -0.04 -1.07 0.13 0.00 0.48 0.00 0.00 55.95 55.46 3jvo s SER 78 Cb -0.09 0.23 0.27 0.00 0.10 0.00 0.00 66.02 66.53 3jvo s SER 78 CO 0.01 -0.64 1.54 1.05 0.98 0.00 0.00 173.24 176.18 3jvo h GLU 79 N 3.05 0.00 -5.30 4.02 9.09 -2.02 -3.43 114.58 119.98 3jvo h GLU 79 Ca -0.34 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.45 3jvo h GLU 79 Cb 1.16 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 28.10 3jvo h GLU 79 CO 0.64 0.60 -0.58 0.14 0.05 0.00 0.00 179.01 179.86 3jvo s VAL 80 N -3.26 4.68 0.32 -1.06 -7.23 -1.26 -5.07 120.40 107.51 3jvo s VAL 80 Ca 0.01 -0.08 -0.29 0.00 -1.81 0.00 0.00 61.98 59.81 3jvo s VAL 80 Cb 0.10 -3.10 -0.11 0.00 0.56 0.00 0.00 36.38 33.84 3jvo s VAL 80 CO 0.75 0.47 1.50 -1.58 -0.31 0.00 0.00 175.10 175.93 3jvo s GLN 81 N 0.31 4.17 -0.02 4.82 2.00 -1.26 -5.01 119.66 124.67 3jvo s GLN 81 Ca 0.02 2.49 -0.00 0.00 -2.00 0.00 0.00 55.36 55.87 3jvo s GLN 81 Cb -0.13 -3.02 -0.04 0.00 0.80 0.00 0.00 33.01 30.62 3jvo s GLN 81 CO 0.00 -0.52 0.05 -0.51 -0.50 0.00 0.00 175.29 173.82 3jvo s LEU 82 N -1.16 3.77 -0.09 3.68 1.43 -1.26 -5.11 118.68 119.94 3jvo s LEU 82 Ca 0.57 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 3jvo s LEU 82 Cb -0.45 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 3jvo s LEU 82 CO 0.53 0.29 -0.14 -0.31 0.23 0.00 0.00 176.35 176.95 3jvo s TYR 83 N -1.12 2.74 0.11 0.29 2.02 -1.26 -5.09 117.35 115.04 3jvo s TYR 83 Ca 0.20 -0.45 -0.31 0.00 -0.37 0.00 0.00 57.07 56.15 3jvo s TYR 83 Cb -0.12 -1.74 -0.09 0.00 -0.40 0.00 0.00 41.96 39.61 3jvo s TYR 83 CO 0.11 -0.04 1.70 -2.00 -1.57 0.00 0.00 175.55 173.75 3jvo s GLU 84 N -0.14 4.18 -0.37 -0.62 2.12 -1.26 -4.97 118.70 117.63 3jvo s GLU 84 Ca -0.01 2.44 -0.25 0.00 0.36 0.00 0.00 54.97 57.50 3jvo s GLU 84 Cb -0.14 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.76 3jvo s GLU 84 CO 0.03 -0.75 0.90 1.21 -0.54 0.00 0.00 175.26 176.11 3jvo s ASN 85 N 2.28 6.66 0.55 -1.70 3.84 -1.26 -4.95 114.94 120.36 3jvo s ASN 85 Ca 0.76 0.54 0.29 0.00 0.21 0.00 0.00 52.86 54.66 3jvo s ASN 85 Cb -0.43 -2.45 1.59 0.00 -0.55 0.00 0.00 41.25 39.41 3jvo s ASN 85 CO 0.33 -0.84 2.13 0.00 -2.79 0.00 0.00 177.10 175.93 3jvo h ALA 86 N 8.48 1.29 -0.98 1.71 0.00 -2.03 -3.03 119.26 124.71 3jvo h ALA 86 Ca -0.23 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 54.77 3jvo h ALA 86 Cb 1.08 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 3jvo h ALA 86 CO 0.97 0.10 0.61 0.00 0.00 0.00 0.00 179.25 180.94 3jvo h ALA 87 N 1.92 1.72 0.56 0.00 0.00 -1.99 -2.20 119.26 119.27 3jvo h ALA 87 Ca -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3jvo h ALA 87 Cb 0.25 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3jvo h ALA 87 CO 0.01 -0.03 -0.27 0.00 0.00 0.00 0.00 179.25 178.96 3jvo h ALA 88 N 1.61 -0.75 -0.70 0.00 0.00 -1.91 -3.14 119.26 114.37 3jvo h ALA 88 Ca 0.53 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3jvo h ALA 88 Cb 0.81 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3jvo h ALA 88 CO -0.31 -0.89 0.24 1.49 0.00 0.00 0.00 179.25 179.78 3jvo h GLU 89 N -0.81 1.08 -5.01 0.00 4.81 -1.74 -3.43 114.58 109.47 3jvo h GLU 89 Ca -0.08 -0.22 -0.39 0.00 -0.13 0.00 0.00 59.36 58.54 3jvo h GLU 89 Cb 0.60 -0.16 0.05 0.00 0.63 0.00 0.00 28.75 29.87 3jvo h GLU 89 CO 0.13 0.92 1.14 0.54 -0.73 0.00 0.00 179.01 181.01 3jvo n ARG 90 N -4.32 0.71 0.00 1.92 1.74 -0.84 -4.67 116.66 111.21 3jvo n ARG 90 Ca 0.05 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.43 3jvo n ARG 90 Cb 0.21 -3.26 0.00 0.00 -1.02 0.00 0.00 32.46 28.39 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 12.85 0.00 0.57 -1.55 7.35 -1.26 -4.85 117.46 130.56 3jvo n PHE 93 Ca 0.46 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 57.20 3jvo n PHE 93 Cb 0.44 0.00 0.29 0.00 0.35 0.00 0.00 39.48 40.56 3jvo n PHE 93 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 3jvo n ILE 94 N 0.00 0.44 -1.24 -2.13 -6.64 -1.26 -1.80 119.36 106.73 3jvo n ILE 94 Ca 0.00 0.11 0.04 0.00 -1.77 0.00 0.00 62.75 61.13 3jvo n ILE 94 Cb 0.00 -0.94 0.05 0.00 -1.44 0.00 0.00 39.64 37.31 3jvo n ILE 94 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3jvo n HIS 95 N -1.17 0.00 -2.52 4.28 8.25 -1.26 -5.07 115.22 117.74 3jvo n HIS 95 Ca 0.06 -0.45 -0.41 0.00 -0.26 0.00 0.00 57.72 56.66 3jvo n HIS 95 Cb 0.06 -0.08 -0.04 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.24 4.63 0.00 -0.41 3.52 -0.74 -4.84 118.95 119.87 3jvo s ARG 96 Ca 0.12 1.74 0.30 0.00 -0.13 0.00 0.00 55.73 57.76 3jvo s ARG 96 Cb 0.11 -3.24 1.52 0.00 -1.56 0.00 0.00 34.95 31.78 3jvo s ARG 96 CO 0.01 0.16 2.01 -1.71 -0.81 0.00 0.00 175.30 174.97