#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 4.87 -0.09 0.00 1.01 -1.26 -5.03 121.20 120.70 3jvo s ILE 3 Ca 0.00 1.86 -0.30 0.00 0.00 0.00 0.00 60.65 62.21 3jvo s ILE 3 Cb 0.00 -4.23 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 3jvo s ILE 3 CO 0.00 0.22 1.00 -0.62 0.00 0.00 0.00 174.94 175.54 3jvo s ASP 4 N 0.77 7.26 0.41 3.58 -1.08 -1.26 -4.95 116.67 121.40 3jvo s ASP 4 Ca 0.46 1.55 0.15 0.00 -0.52 0.00 0.00 52.55 54.19 3jvo s ASP 4 Cb -0.20 -2.56 1.02 0.00 -1.46 0.00 0.00 42.92 39.72 3jvo s ASP 4 CO 0.25 -0.42 1.89 1.62 0.52 0.00 0.00 175.17 179.03 3jvo h VAL 5 N 5.06 0.76 0.00 1.11 3.04 -1.93 -1.38 116.25 122.90 3jvo h VAL 5 Ca -0.32 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3jvo h VAL 5 Cb 1.16 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 3jvo h VAL 5 CO 0.84 0.08 0.00 -0.07 -1.01 0.00 0.00 177.57 177.42 3jvo h LEU 6 N 0.46 0.00 -0.03 3.16 3.38 -1.93 0.66 115.31 121.01 3jvo h LEU 6 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3jvo h LEU 6 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3jvo h LEU 6 CO -0.15 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.85 3jvo n ASP 7 N -2.71 0.26 -0.12 -0.43 8.00 -0.52 -4.01 116.55 117.03 3jvo n ASP 7 Ca 0.01 0.53 -0.25 0.00 0.71 0.00 0.00 54.79 55.79 3jvo n ASP 7 Cb 0.26 -0.60 -0.09 0.00 -0.02 0.00 0.00 41.12 40.67 3jvo n ASP 7 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3jvo n VAL 8 N -1.75 1.31 -3.78 2.53 0.31 -0.18 -4.81 118.33 111.96 3jvo n VAL 8 Ca 0.06 -0.35 -0.21 0.00 -0.01 0.00 0.00 64.34 63.82 3jvo n VAL 8 Cb 0.34 -1.77 -0.17 0.00 -0.91 0.00 0.00 33.84 31.33 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 0.24 0.64 2.52 1.01 0.05 -5.08 121.20 118.14 3jvo s ILE 9 Ca -0.33 0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 3jvo s ILE 9 Cb 0.12 -0.41 -0.01 0.00 0.01 0.00 0.00 42.46 42.17 3jvo s ILE 9 CO 0.43 0.23 1.09 -0.94 0.00 0.00 0.00 174.94 175.75 3jvo s SER 10 N 1.87 5.33 0.40 3.58 1.04 -1.26 -4.11 113.70 120.55 3jvo s SER 10 Ca 0.03 1.92 0.11 0.00 0.48 0.00 0.00 55.95 58.48 3jvo s SER 10 Cb -0.12 -2.54 0.91 0.00 0.10 0.00 0.00 66.02 64.37 3jvo s SER 10 CO -0.04 -1.48 1.97 0.25 0.98 0.00 0.00 173.24 174.92 3jvo h LEU 11 N 0.11 0.49 -0.99 2.42 5.85 -1.95 -1.16 115.31 120.08 3jvo h LEU 11 Ca -0.47 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 3jvo h LEU 11 Cb 1.24 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 3jvo h LEU 11 CO 0.55 0.30 0.48 -1.28 -0.34 0.00 0.00 178.44 178.15 3jvo h SER 12 N 0.55 1.06 -0.48 1.25 0.87 -1.99 -0.87 113.55 113.93 3jvo h SER 12 Ca 0.29 -0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 3jvo h SER 12 Cb 0.43 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3jvo h SER 12 CO -0.09 0.84 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.85 3jvo h LEU 13 N 1.19 0.95 -0.49 2.23 3.38 -1.58 -2.02 115.31 118.96 3jvo h LEU 13 Ca 0.30 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3jvo h LEU 13 Cb 0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3jvo h LEU 13 CO -0.05 1.09 0.27 -0.26 0.09 0.00 0.00 178.44 179.58 3jvo h PHE 14 N 0.79 0.50 -0.85 1.13 0.04 -1.01 -1.15 116.94 116.39 3jvo h PHE 14 Ca 0.12 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.96 3jvo h PHE 14 Cb 0.68 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.63 3jvo h PHE 14 CO 0.05 0.27 0.56 0.87 -0.60 0.00 0.00 178.31 179.45 3jvo h LYS 15 N 0.53 0.95 -0.18 1.51 1.57 -1.09 -2.39 116.57 117.48 3jvo h LYS 15 Ca 0.21 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.80 3jvo h LYS 15 Cb 0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3jvo h LYS 15 CO -0.12 0.63 -0.44 1.96 -0.57 0.00 0.00 179.45 180.91 3jvo h GLN 16 N 0.98 0.45 -0.65 3.15 4.20 -1.02 0.46 115.11 122.68 3jvo h GLN 16 Ca 0.36 -0.24 0.10 0.00 0.06 0.00 0.00 58.65 58.93 3jvo h GLN 16 Cb 0.16 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 3jvo h GLN 16 CO -0.12 0.80 0.27 0.37 -0.67 0.00 0.00 178.83 179.48 3jvo h GLN 17 N 0.36 0.45 -0.56 1.46 5.75 -0.69 -2.23 115.11 119.65 3jvo h GLN 17 Ca 0.03 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3jvo h GLN 17 Cb 0.92 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.37 3jvo h GLN 17 CO 0.08 0.30 0.00 0.44 -2.65 0.00 0.00 178.83 176.99 3jvo n ILE 18 N -4.96 0.74 -3.92 2.39 -5.35 -1.11 -4.97 119.36 102.17 3jvo n ILE 18 Ca 0.10 -0.79 -0.27 0.00 -0.27 0.00 0.00 62.75 61.52 3jvo n ILE 18 Cb 0.29 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 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 1.31 -4.16 -3.67 6.28 1.02 -0.39 -4.94 120.64 116.09 3jvo n GLU 19 Ca 0.20 0.50 -0.38 0.00 -0.02 0.00 0.00 57.16 57.46 3jvo n GLU 19 Cb 0.53 -4.99 -0.12 0.00 -0.02 0.00 0.00 31.44 26.85 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 -3.64 3.16 -0.15 -0.32 5.36 0.01 -5.00 117.98 117.40 3jvo s PHE 20 Ca 0.26 -0.50 -0.26 0.00 -0.96 0.00 0.00 56.93 55.47 3jvo s PHE 20 Cb -0.13 -2.33 -0.23 0.00 -0.34 0.00 0.00 43.02 39.99 3jvo s PHE 20 CO 0.86 -0.42 0.63 0.93 -1.46 0.00 0.00 175.22 175.77 3jvo h GLU 21 N 8.33 0.00 -7.27 10.12 4.39 -1.92 -3.43 114.58 124.80 3jvo h GLU 21 Ca -0.34 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.88 3jvo h GLU 21 Cb 1.15 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 29.98 3jvo h GLU 21 CO 0.60 0.92 0.18 -1.21 -1.16 0.00 0.00 179.01 178.34 3jvo s GLU 22 N -2.19 0.66 -0.01 2.33 8.01 -1.26 -5.00 118.70 121.25 3jvo s GLU 22 Ca -0.19 1.01 0.04 0.00 0.01 0.00 0.00 54.97 55.84 3jvo s GLU 22 Cb -0.02 -1.72 0.09 0.00 -4.31 0.00 0.00 34.13 28.17 3jvo s GLU 22 CO 0.62 -2.71 1.07 -0.25 0.01 0.00 0.00 175.26 174.01 3jvo n ASP 23 N -4.23 2.27 -1.48 -0.19 8.00 -1.26 -4.60 116.55 115.06 3jvo n ASP 23 Ca 0.07 -2.06 0.11 0.00 0.71 0.00 0.00 54.79 53.62 3jvo n ASP 23 Cb 0.54 -0.08 0.34 0.00 -0.02 0.00 0.00 41.12 41.90 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 -0.29 4.36 -0.48 -2.24 5.75 -1.26 -4.20 116.55 118.19 3jvo n ASP 24 Ca 0.04 -2.20 0.06 0.00 -0.01 0.00 0.00 54.79 52.68 3jvo n ASP 24 Cb 0.32 -0.54 0.12 0.00 -1.03 0.00 0.00 41.12 39.99 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 1.45 1.00 -0.32 0.11 5.12 -1.26 -4.86 116.66 117.91 3jvo n ARG 25 Ca 0.25 -2.47 -0.01 0.00 -1.93 0.00 0.00 57.85 53.69 3jvo n ARG 25 Cb 0.75 -1.18 0.12 0.00 -1.16 0.00 0.00 32.46 30.98 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 0.43 0.92 -0.25 0.55 5.19 -1.91 -0.63 116.42 120.73 3jvo h ASP 26 Ca -0.03 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 3jvo h ASP 26 Cb 1.18 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 3jvo h ASP 26 CO 0.01 0.63 0.05 -0.08 -3.12 0.00 0.00 179.24 176.73 3jvo h GLU 27 N 1.08 0.40 -0.03 3.56 4.81 -1.94 0.16 114.58 122.62 3jvo h GLU 27 Ca 0.35 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3jvo h GLU 27 Cb 0.03 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3jvo h GLU 27 CO -0.13 0.51 0.01 1.25 -0.73 0.00 0.00 179.01 179.92 3jvo h LEU 28 N 0.22 0.04 -0.77 1.64 5.85 -1.88 -1.87 115.31 118.54 3jvo h LEU 28 Ca 0.08 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.66 3jvo h LEU 28 Cb 0.30 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3jvo h LEU 28 CO 0.00 0.24 0.44 0.40 -0.34 0.00 0.00 178.44 179.18 3jvo h ILE 29 N -0.15 0.96 -0.83 4.05 2.04 -1.13 -1.25 117.51 121.20 3jvo h ILE 29 Ca 0.01 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.63 3jvo h ILE 29 Cb 0.21 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 3jvo h ILE 29 CO -0.00 0.14 0.53 0.74 0.00 0.00 0.00 178.15 179.56 3jvo h THR 30 N 0.79 1.12 -0.54 -0.27 2.02 -0.53 -0.81 112.91 114.68 3jvo h THR 30 Ca 0.35 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3jvo h THR 30 Cb 0.25 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 3jvo h THR 30 CO -0.20 0.19 0.20 0.25 0.37 0.00 0.00 175.52 176.33 3jvo h LEU 31 N 1.02 0.76 -0.44 2.58 6.46 -0.42 -0.12 115.31 125.16 3jvo h LEU 31 Ca 0.33 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 3jvo h LEU 31 Cb 0.03 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 3jvo h LEU 31 CO -0.12 0.74 0.21 1.88 -0.62 0.00 0.00 178.44 180.52 3jvo h TYR 32 N 0.74 0.64 -0.50 1.25 0.05 -1.07 -0.38 116.97 117.70 3jvo h TYR 32 Ca 0.18 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.93 3jvo h TYR 32 Cb 0.22 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 3jvo h TYR 32 CO 0.01 0.53 0.33 0.00 -1.05 0.00 0.00 178.16 177.98 3jvo h ALA 33 N 1.05 0.64 -0.49 3.88 0.00 -0.82 0.24 119.26 123.77 3jvo h ALA 33 Ca 0.15 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3jvo h ALA 33 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3jvo h ALA 33 CO -0.02 0.09 -0.10 1.96 0.00 0.00 0.00 179.25 181.18 3jvo h GLN 34 N 0.68 0.89 -0.21 0.00 4.20 -0.87 -1.12 115.11 118.68 3jvo h GLN 34 Ca 0.18 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 3jvo h GLN 34 Cb -0.07 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3jvo h GLN 34 CO -0.04 0.95 0.03 0.00 -0.67 0.00 0.00 178.83 179.10 3jvo h ALA 35 N 1.07 0.27 -0.48 3.87 0.00 -0.82 -1.37 119.26 121.81 3jvo h ALA 35 Ca 0.13 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3jvo h ALA 35 Cb 0.62 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3jvo h ALA 35 CO 0.04 -0.05 0.26 0.00 0.00 0.00 0.00 179.25 179.50 3jvo h ALA 36 N 0.83 0.62 -0.35 0.00 0.00 -0.84 -1.15 119.26 118.37 3jvo h ALA 36 Ca 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3jvo h ALA 36 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3jvo h ALA 36 CO 0.00 -0.08 0.01 0.35 0.00 0.00 0.00 179.25 179.54 3jvo h PHE 37 N 0.51 0.67 -0.06 0.00 3.57 -1.13 -1.38 116.94 119.11 3jvo h PHE 37 Ca 0.21 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 3jvo h PHE 37 Cb 0.09 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3jvo h PHE 37 CO -0.09 0.71 0.03 0.22 -2.23 0.00 0.00 178.31 176.95 3jvo h ASP 38 N 0.43 0.07 -0.02 0.41 3.58 -1.14 -2.89 116.42 116.86 3jvo h ASP 38 Ca 0.10 -0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.51 3jvo h ASP 38 Cb 0.43 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.41 3jvo h ASP 38 CO 0.02 0.12 -0.42 0.22 -2.88 0.00 0.00 179.24 176.29 3jvo h TYR 39 N 0.02 -1.21 0.00 0.28 3.20 -1.17 -0.80 116.97 117.29 3jvo h TYR 39 Ca 0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3jvo h TYR 39 Cb 0.06 0.53 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3jvo h TYR 39 CO -0.05 -0.50 0.00 0.00 -1.64 0.00 0.00 178.16 175.97 3jvo n ARG 42 N 0.76 0.00 0.01 0.00 3.00 -0.31 -1.37 116.66 118.75 3jvo n ARG 42 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.72 3jvo n ARG 42 Cb 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.42 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 0.07 -0.45 -1.55 7.01 -1.32 -2.94 115.95 116.77 3jvo h TRP 43 Ca 0.00 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.91 3jvo h TRP 43 Cb 0.00 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 3jvo h TRP 43 CO 0.00 0.13 -0.07 0.00 -2.79 0.00 0.00 178.44 175.71 3jvo n ASP 45 N -4.18 -0.80 -4.07 0.00 2.03 -1.11 -0.70 116.55 107.71 3jvo n ASP 45 Ca 0.02 -0.96 -0.35 0.00 0.52 0.00 0.00 54.79 54.02 3jvo n ASP 45 Cb 0.34 -3.35 -0.09 0.00 -0.72 0.00 0.00 41.12 37.30 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 -6.36 2.78 0.00 -0.67 2.56 -1.26 -4.28 118.70 111.46 3jvo s GLU 46 Ca 0.03 -2.89 0.15 0.00 0.00 0.00 0.00 54.97 52.26 3jvo s GLU 46 Cb -0.01 -3.76 0.78 0.00 2.00 0.00 0.00 34.13 33.15 3jvo s GLU 46 CO 0.87 -1.22 1.42 -2.30 -0.56 0.00 0.00 175.26 173.47 3jvo n PRO 47 N 2.89 0.24 0.29 4.30 -0.02 -1.26 -2.04 135.00 139.39 3jvo n PRO 47 Ca 0.14 0.13 0.17 0.00 -2.02 0.00 0.00 63.50 61.92 3jvo n PRO 47 Cb 0.37 -1.50 0.81 0.00 -0.02 0.00 0.00 33.50 33.16 3jvo n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jvo h ALA 48 N 2.74 1.06 -1.57 3.55 0.00 -2.02 -3.39 119.26 119.63 3jvo h ALA 48 Ca 0.00 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.32 3jvo h ALA 48 Cb 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3jvo h ALA 48 CO 0.00 0.06 1.07 -1.58 0.00 0.00 0.00 179.25 178.80 3jvo s TRP 49 N -3.90 2.36 -0.17 0.00 0.51 -0.87 -4.81 118.94 112.05 3jvo s TRP 49 Ca -0.01 0.42 0.14 0.00 -2.12 0.00 0.00 56.10 54.53 3jvo s TRP 49 Cb 0.11 -4.44 -0.21 0.00 -0.81 0.00 0.00 33.47 28.12 3jvo s TRP 49 CO 0.53 -1.89 0.04 1.63 -0.51 0.00 0.00 176.95 176.74 3jvo n LYS 50 N 8.67 1.13 -4.32 4.98 4.76 -1.26 -5.00 118.16 127.12 3jvo n LYS 50 Ca 0.11 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.34 3jvo n LYS 50 Cb 0.49 -1.44 -0.11 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.42 1.72 0.30 -0.18 -7.23 -1.26 -4.77 120.40 106.56 3jvo s VAL 51 Ca -0.10 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 3jvo s VAL 51 Cb 0.05 -1.83 0.39 0.00 0.56 0.00 0.00 36.38 35.55 3jvo s VAL 51 CO 0.69 -0.39 1.59 0.00 -0.31 0.00 0.00 175.10 176.68 3jvo h ALA 52 N 3.15 1.20 0.00 1.32 0.00 -1.93 0.23 119.26 123.23 3jvo h ALA 52 Ca -0.41 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3jvo h ALA 52 Cb 1.21 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 3jvo h ALA 52 CO 0.53 -0.57 -0.06 0.00 0.00 0.00 0.00 179.25 179.16 3jvo h ALA 53 N 1.94 1.30 0.00 0.00 0.00 -1.96 -1.78 119.26 118.77 3jvo h ALA 53 Ca 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 3jvo h ALA 53 Cb 1.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3jvo h ALA 53 CO -0.86 0.07 -0.07 -0.44 0.00 0.00 0.00 179.25 177.95 3jvo h ASP 54 N 0.00 0.00 -2.81 0.00 3.32 -0.94 -3.45 116.42 112.54 3jvo h ASP 54 Ca -0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 3jvo h ASP 54 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3jvo h ASP 54 CO 0.01 0.07 0.94 -0.63 -1.72 0.00 0.00 179.24 177.91 3jvo s ILE 55 N -3.82 3.83 0.69 0.35 -1.09 -0.67 -4.94 121.20 115.55 3jvo s ILE 55 Ca -0.00 1.09 -0.16 0.00 -2.23 0.00 0.00 60.65 59.35 3jvo s ILE 55 Cb 0.10 -3.70 0.02 0.00 -1.58 0.00 0.00 42.46 37.30 3jvo s ILE 55 CO 0.55 -0.06 1.18 -2.84 -1.23 0.00 0.00 174.94 172.54 3jvo s PRO 56 N 3.26 2.47 0.30 2.79 0.02 -1.26 -4.85 135.00 137.73 3jvo s PRO 56 Ca 0.64 1.67 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 3jvo s PRO 56 Cb -0.29 -1.88 0.48 0.00 0.02 0.00 0.00 34.50 32.83 3jvo s PRO 56 CO 0.24 -1.56 1.95 0.00 -0.33 0.00 0.00 177.00 177.30 3jvo h ALA 57 N 0.00 1.46 -0.42 -1.55 0.00 -1.98 -2.23 119.26 114.54 3jvo h ALA 57 Ca -0.48 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 3jvo h ALA 57 Cb 1.28 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3jvo h ALA 57 CO 0.52 0.47 -0.18 0.00 0.00 0.00 0.00 179.25 180.06 3jvo h ALA 58 N 1.50 0.89 -0.61 0.00 0.00 -2.00 -1.98 119.26 117.06 3jvo h ALA 58 Ca 0.33 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3jvo h ALA 58 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3jvo h ALA 58 CO -0.09 0.63 0.10 0.28 0.00 0.00 0.00 179.25 180.17 3jvo h VAL 59 N 0.72 1.25 -0.66 0.00 2.07 -1.82 -1.87 116.25 115.95 3jvo h VAL 59 Ca 0.11 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3jvo h VAL 59 Cb 0.69 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3jvo h VAL 59 CO 0.05 0.37 0.43 0.11 0.02 0.00 0.00 177.57 178.55 3jvo h LYS 60 N 0.93 0.81 -0.21 1.57 1.57 -0.96 -1.50 116.57 118.79 3jvo h LYS 60 Ca 0.19 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3jvo h LYS 60 Cb 0.41 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3jvo h LYS 60 CO 0.01 0.53 0.11 0.78 -0.57 0.00 0.00 179.45 180.32 3jvo h GLY 61 N 0.83 0.31 1.36 3.86 0.00 -0.77 -1.91 103.07 106.75 3jvo h GLY 61 Ca 0.25 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.45 3jvo h GLY 61 CO -0.06 0.14 0.43 0.00 0.00 0.00 0.00 176.54 177.04 3jvo h ALA 62 N 1.00 1.53 -0.39 3.60 0.00 -0.89 -2.30 119.26 121.81 3jvo h ALA 62 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3jvo h ALA 62 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3jvo h ALA 62 CO -0.01 0.44 0.06 0.28 0.00 0.00 0.00 179.25 180.02 3jvo h VAL 63 N 0.89 1.24 -0.72 0.00 2.07 -0.83 -1.81 116.25 117.09 3jvo h VAL 63 Ca 0.24 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3jvo h VAL 63 Cb -0.10 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3jvo h VAL 63 CO -0.05 0.29 0.45 -0.07 0.02 0.00 0.00 177.57 178.22 3jvo h LEU 64 N 0.49 0.75 -0.53 2.57 3.38 -1.04 0.33 115.31 121.26 3jvo h LEU 64 Ca 0.12 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3jvo h LEU 64 Cb 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3jvo h LEU 64 CO 0.01 0.51 0.11 -0.07 0.09 0.00 0.00 178.44 179.09 3jvo h LEU 65 N 0.89 0.82 -0.24 1.67 3.38 -1.16 -1.01 115.31 119.65 3jvo h LEU 65 Ca 0.29 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3jvo h LEU 65 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3jvo h LEU 65 CO -0.11 0.86 -0.06 0.58 0.09 0.00 0.00 178.44 179.79 3jvo h VAL 66 N 0.75 1.28 -0.27 1.22 2.07 -1.05 -1.91 116.25 118.34 3jvo h VAL 66 Ca 0.16 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.67 3jvo h VAL 66 Cb 0.37 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3jvo h VAL 66 CO 0.01 0.33 -0.11 0.15 0.02 0.00 0.00 177.57 177.97 3jvo h PHE 67 N 0.20 -0.26 -0.35 1.57 3.57 -0.87 -2.80 116.94 118.00 3jvo h PHE 67 Ca 0.06 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3jvo h PHE 67 Cb 0.53 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3jvo h PHE 67 CO 0.05 -0.17 -0.11 0.00 -2.23 0.00 0.00 178.31 175.85 3jvo h ALA 68 N 1.18 1.16 0.00 2.41 0.00 -1.06 -1.95 119.26 121.00 3jvo h ALA 68 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3jvo h ALA 68 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3jvo h ALA 68 CO -0.32 0.53 0.00 -3.47 0.00 0.00 0.00 179.25 176.00 3jvo n ASP 69 N -4.19 0.01 0.00 0.00 2.03 -0.73 -1.56 116.55 112.11 3jvo n ASP 69 Ca 0.01 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3jvo n ASP 69 Cb 0.33 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.77 0.00 0.01 -0.67 7.35 -0.73 -0.02 117.46 124.16 3jvo n PHE 71 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 3jvo n PHE 71 Cb 0.00 0.00 -0.14 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 0.07 -4.29 -4.13 4.39 -1.57 -3.43 114.58 105.62 3jvo h GLU 72 Ca 0.00 -0.12 -0.67 0.00 0.34 0.00 0.00 59.36 58.91 3jvo h GLU 72 Cb 0.00 0.04 -0.38 0.00 -0.10 0.00 0.00 28.75 28.31 3jvo h GLU 72 CO 0.00 0.75 -0.62 -1.01 -1.16 0.00 0.00 179.01 176.97 3jvo s HIS 73 N -2.61 3.58 -1.13 4.33 3.76 0.97 -4.98 115.29 119.21 3jvo s HIS 73 Ca -0.06 -2.86 0.25 0.00 -0.15 0.00 0.00 55.06 52.24 3jvo s HIS 73 Cb 0.08 -3.01 0.47 0.00 1.11 0.00 0.00 32.58 31.23 3jvo s HIS 73 CO 0.82 -0.91 1.39 0.54 -0.85 0.00 0.00 174.74 175.74 3jvo n ARG 74 N 4.05 0.14 -4.70 1.40 5.12 -1.26 -4.93 116.66 116.48 3jvo n ARG 74 Ca 0.03 -0.09 -0.29 0.00 -1.93 0.00 0.00 57.85 55.57 3jvo n ARG 74 Cb 0.40 -1.50 -0.14 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 -2.92 2.10 0.42 0.55 -4.23 -1.26 -5.02 115.64 105.28 3jvo s THR 75 Ca 0.13 -1.48 0.34 0.00 -1.18 0.00 0.00 61.69 59.50 3jvo s THR 75 Cb 0.18 -1.82 0.36 0.00 1.34 0.00 0.00 72.50 72.56 3jvo s THR 75 CO 0.69 0.25 2.15 0.00 -0.54 0.00 0.00 174.62 177.16 3jvo h ALA 76 N 4.51 1.14 -3.29 3.99 0.00 -2.06 -3.42 119.26 120.13 3jvo h ALA 76 Ca -0.47 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.07 3jvo h ALA 76 Cb 1.15 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.72 3jvo h ALA 76 CO 0.42 0.07 -0.75 -0.65 0.00 0.00 0.00 179.25 178.34 3jvo s GLN 77 N -4.07 0.61 0.12 0.00 -0.21 -1.26 -5.17 119.66 109.68 3jvo s GLN 77 Ca -0.03 -0.78 -0.00 0.00 0.02 0.00 0.00 55.36 54.57 3jvo s GLN 77 Cb 0.12 -0.46 -0.04 0.00 1.00 0.00 0.00 33.01 33.63 3jvo s GLN 77 CO 0.52 0.09 0.01 -1.54 -2.12 0.00 0.00 175.29 172.26 3jvo s SER 78 N -1.54 0.66 0.33 5.90 1.04 -1.26 -5.04 113.70 113.79 3jvo s SER 78 Ca -0.07 -1.14 0.17 0.00 0.48 0.00 0.00 55.95 55.40 3jvo s SER 78 Cb -0.10 0.21 0.14 0.00 0.10 0.00 0.00 66.02 66.38 3jvo s SER 78 CO 0.01 -0.64 1.49 -0.33 0.98 0.00 0.00 173.24 174.75 3jvo h GLU 79 N 2.89 0.00 -5.30 4.02 3.07 -2.02 -3.43 114.58 113.80 3jvo h GLU 79 Ca -0.35 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 57.89 3jvo h GLU 79 Cb 1.18 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.95 3jvo h GLU 79 CO 0.62 0.35 -0.55 0.14 -1.40 0.00 0.00 179.01 178.17 3jvo s VAL 80 N -3.03 4.90 0.31 3.13 -7.23 -1.26 -5.08 120.40 112.14 3jvo s VAL 80 Ca 0.05 0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.93 3jvo s VAL 80 Cb 0.07 -3.21 -0.11 0.00 0.56 0.00 0.00 36.38 33.68 3jvo s VAL 80 CO 0.72 0.47 1.58 1.67 -0.31 0.00 0.00 175.10 179.23 3jvo n GLN 81 N 3.45 2.71 -4.04 4.82 -0.06 -1.26 -5.01 117.38 117.99 3jvo n GLN 81 Ca -0.17 0.96 -0.36 0.00 -2.00 0.00 0.00 57.00 55.44 3jvo n GLN 81 Cb 0.52 -2.73 -0.07 0.00 -4.06 0.00 0.00 30.24 23.90 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 -0.80 4.12 -0.08 1.69 1.43 -1.26 -5.10 118.68 118.67 3jvo s LEU 82 Ca 0.62 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 3jvo s LEU 82 Cb -0.49 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 3jvo s LEU 82 CO 0.52 0.37 -0.10 -0.31 0.23 0.00 0.00 176.35 177.06 3jvo s TYR 83 N -1.04 2.84 0.11 0.29 2.02 -1.26 -5.09 117.35 115.22 3jvo s TYR 83 Ca 0.17 -0.20 -0.31 0.00 -0.37 0.00 0.00 57.07 56.35 3jvo s TYR 83 Cb -0.12 -1.74 -0.09 0.00 -0.40 0.00 0.00 41.96 39.62 3jvo s TYR 83 CO 0.06 0.14 1.61 -2.00 -1.57 0.00 0.00 175.55 173.79 3jvo s GLU 84 N -0.43 4.21 -0.50 -0.62 2.12 -1.26 -4.98 118.70 117.24 3jvo s GLU 84 Ca 0.06 2.33 -0.26 0.00 0.36 0.00 0.00 54.97 57.45 3jvo s GLU 84 Cb -0.12 -3.42 0.03 0.00 0.26 0.00 0.00 34.13 30.88 3jvo s GLU 84 CO 0.02 -0.67 1.02 1.21 -0.54 0.00 0.00 175.26 176.30 3jvo s ASN 85 N 1.88 6.49 0.62 -1.70 3.84 -1.26 -4.94 114.94 119.87 3jvo s ASN 85 Ca 0.72 0.11 0.34 0.00 0.21 0.00 0.00 52.86 54.23 3jvo s ASN 85 Cb -0.41 -2.49 1.93 0.00 -0.55 0.00 0.00 41.25 39.74 3jvo s ASN 85 CO 0.32 -1.20 2.22 0.00 -2.79 0.00 0.00 177.10 175.65 3jvo h ALA 86 N 9.24 1.45 -0.94 1.71 0.00 -2.02 -2.85 119.26 125.85 3jvo h ALA 86 Ca -0.24 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.80 3jvo h ALA 86 Cb 1.07 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 3jvo h ALA 86 CO 1.09 -0.10 0.56 0.00 0.00 0.00 0.00 179.25 180.80 3jvo h ALA 87 N 1.89 1.43 0.50 0.00 0.00 -1.99 -1.05 119.26 120.04 3jvo h ALA 87 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3jvo h ALA 87 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3jvo h ALA 87 CO -0.00 0.10 -0.31 0.00 0.00 0.00 0.00 179.25 179.04 3jvo h ALA 88 N 1.54 -0.77 -0.78 0.00 0.00 -1.88 -3.01 119.26 114.37 3jvo h ALA 88 Ca 0.49 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3jvo h ALA 88 Cb 0.57 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3jvo h ALA 88 CO -0.30 -0.95 0.27 1.49 0.00 0.00 0.00 179.25 179.76 3jvo h GLU 89 N -0.77 1.19 -5.01 0.00 4.22 -1.73 -3.44 114.58 109.04 3jvo h GLU 89 Ca -0.06 -0.24 -0.40 0.00 0.08 0.00 0.00 59.36 58.75 3jvo h GLU 89 Cb 0.63 -0.18 0.04 0.00 0.50 0.00 0.00 28.75 29.74 3jvo h GLU 89 CO 0.06 0.98 1.19 0.54 -2.18 0.00 0.00 179.01 179.60 3jvo n ARG 90 N -4.26 0.80 0.00 1.92 1.74 -0.41 -4.65 116.66 111.80 3jvo n ARG 90 Ca 0.07 -1.76 0.00 0.00 -0.77 0.00 0.00 57.85 55.39 3jvo n ARG 90 Cb 0.21 -3.27 0.00 0.00 -1.02 0.00 0.00 32.46 28.38 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 12.70 0.00 0.38 -1.55 7.35 -1.26 -4.84 117.46 130.23 3jvo n PHE 93 Ca 0.46 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 57.24 3jvo n PHE 93 Cb 0.44 0.00 0.39 0.00 0.35 0.00 0.00 39.48 40.66 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 1.01 -0.61 -2.13 -5.35 -1.26 -2.34 119.36 108.68 3jvo n ILE 94 Ca 0.00 0.30 0.06 0.00 -0.27 0.00 0.00 62.75 62.84 3jvo n ILE 94 Cb 0.00 -1.18 0.09 0.00 -1.74 0.00 0.00 39.64 36.81 3jvo n ILE 94 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3jvo n HIS 95 N -1.89 0.05 -2.21 4.28 8.25 -1.26 -5.06 115.22 117.38 3jvo n HIS 95 Ca 0.02 -0.78 -0.40 0.00 -0.26 0.00 0.00 57.72 56.30 3jvo n HIS 95 Cb 0.17 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 3jvo n HIS 95 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3jvo s ARG 96 N -2.07 4.34 0.00 -0.41 1.70 -0.99 -4.82 118.95 116.71 3jvo s ARG 96 Ca 0.19 2.07 0.18 0.00 -0.47 0.00 0.00 55.73 57.70 3jvo s ARG 96 Cb 0.17 -3.02 0.14 0.00 -0.57 0.00 0.00 34.95 31.67 3jvo s ARG 96 CO 0.02 -0.14 1.07 -1.71 -1.08 0.00 0.00 175.30 173.47