#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 3.15 -0.03 0.00 1.01 -1.26 -5.00 121.20 119.07 3jvo s ILE 3 Ca 0.00 0.94 -0.22 0.00 0.00 0.00 0.00 60.65 61.37 3jvo s ILE 3 Cb 0.00 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 3jvo s ILE 3 CO 0.00 0.13 0.66 -0.62 0.00 0.00 0.00 174.94 175.11 3jvo s ASP 4 N 0.42 7.00 0.37 3.58 -1.08 -1.26 -4.97 116.67 120.72 3jvo s ASP 4 Ca 0.58 1.19 0.05 0.00 -0.52 0.00 0.00 52.55 53.85 3jvo s ASP 4 Cb -0.37 -2.40 0.73 0.00 -1.46 0.00 0.00 42.92 39.42 3jvo s ASP 4 CO 0.38 -0.01 2.00 1.62 0.52 0.00 0.00 175.17 179.68 3jvo h VAL 5 N 4.44 1.09 0.00 1.11 3.04 -1.93 -2.39 116.25 121.60 3jvo h VAL 5 Ca -0.43 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 3jvo h VAL 5 Cb 1.20 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 3jvo h VAL 5 CO 0.73 0.14 0.00 0.18 -1.01 0.00 0.00 177.57 177.60 3jvo n LEU 6 N -4.46 0.00 0.08 3.16 4.77 -1.26 -0.57 117.00 118.71 3jvo n LEU 6 Ca 0.08 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 3jvo n LEU 6 Cb 0.12 -0.49 0.23 0.00 -2.33 0.00 0.00 43.42 40.95 3jvo n LEU 6 CO 0.35 -0.12 0.50 0.47 -1.33 0.00 0.00 177.39 177.25 3jvo n ASP 7 N -1.49 0.75 -0.10 -1.43 8.00 -0.90 -4.24 116.55 117.13 3jvo n ASP 7 Ca 0.05 0.25 -0.24 0.00 0.71 0.00 0.00 54.79 55.57 3jvo n ASP 7 Cb 0.25 -0.11 -0.12 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.17 1.57 -3.71 2.53 0.31 0.18 -4.83 118.33 112.21 3jvo n VAL 8 Ca 0.04 -0.39 -0.19 0.00 -0.01 0.00 0.00 64.34 63.79 3jvo n VAL 8 Cb 0.44 -1.79 -0.17 0.00 -0.91 0.00 0.00 33.84 31.41 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 -2.48 -0.06 0.76 2.52 1.01 0.26 -5.10 121.20 118.11 3jvo s ILE 9 Ca -0.32 0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 3jvo s ILE 9 Cb 0.10 -0.16 0.05 0.00 0.01 0.00 0.00 42.46 42.46 3jvo s ILE 9 CO 0.60 0.16 1.12 -0.94 0.00 0.00 0.00 174.94 175.88 3jvo s SER 10 N 1.87 4.40 0.34 3.58 1.04 -1.26 -4.16 113.70 119.51 3jvo s SER 10 Ca 0.01 2.00 0.03 0.00 0.48 0.00 0.00 55.95 58.47 3jvo s SER 10 Cb -0.12 -2.55 0.62 0.00 0.10 0.00 0.00 66.02 64.08 3jvo s SER 10 CO -0.03 -2.11 1.96 0.25 0.98 0.00 0.00 173.24 174.28 3jvo h LEU 11 N -0.81 0.64 -0.59 2.42 5.85 -1.96 -2.06 115.31 118.81 3jvo h LEU 11 Ca -0.45 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.32 3jvo h LEU 11 Cb 1.25 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 42.04 3jvo h LEU 11 CO 0.50 0.55 0.17 -1.28 -0.34 0.00 0.00 178.44 178.04 3jvo h SER 12 N 0.72 0.09 -0.14 1.25 0.87 -1.99 -0.16 113.55 114.19 3jvo h SER 12 Ca 0.18 0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.73 3jvo h SER 12 Cb 0.07 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3jvo h SER 12 CO -0.03 0.06 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.02 3jvo h LEU 13 N 0.32 0.59 -0.43 2.23 3.38 -1.76 -1.77 115.31 117.87 3jvo h LEU 13 Ca 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3jvo h LEU 13 Cb 0.42 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3jvo h LEU 13 CO -0.36 0.83 0.23 -0.26 0.09 0.00 0.00 178.44 178.97 3jvo h PHE 14 N 0.52 0.59 -0.58 1.13 0.04 -0.77 -1.03 116.94 116.84 3jvo h PHE 14 Ca 0.07 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 3jvo h PHE 14 Cb 0.70 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 3jvo h PHE 14 CO 0.03 0.45 0.24 0.87 -0.60 0.00 0.00 178.31 179.30 3jvo h LYS 15 N 0.56 0.85 -0.32 1.51 1.57 -0.84 -2.75 116.57 117.14 3jvo h LYS 15 Ca 0.15 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 3jvo h LYS 15 Cb 0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3jvo h LYS 15 CO -0.02 0.69 -0.40 1.96 -0.57 0.00 0.00 179.45 181.11 3jvo h GLN 16 N 0.83 0.78 -0.72 3.15 4.20 -1.10 0.83 115.11 123.09 3jvo h GLN 16 Ca 0.20 -0.41 0.16 0.00 0.06 0.00 0.00 58.65 58.66 3jvo h GLN 16 Cb 0.16 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 27.84 3jvo h GLN 16 CO -0.02 1.04 0.13 0.37 -0.67 0.00 0.00 178.83 179.67 3jvo h GLN 17 N 0.64 0.21 -0.49 1.46 5.75 -0.89 -1.89 115.11 119.90 3jvo h GLN 17 Ca 0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3jvo h GLN 17 Cb 0.96 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.46 3jvo h GLN 17 CO 0.09 0.14 0.00 0.44 -2.65 0.00 0.00 178.83 176.85 3jvo n ILE 18 N -5.20 0.65 -3.74 2.39 -5.35 -1.13 -4.95 119.36 102.03 3jvo n ILE 18 Ca 0.13 -0.74 -0.27 0.00 -0.27 0.00 0.00 62.75 61.60 3jvo n ILE 18 Cb 0.45 0.57 0.05 0.00 -1.74 0.00 0.00 39.64 38.97 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 1.23 -6.66 -3.61 6.28 4.71 -0.56 -4.94 120.64 117.08 3jvo n GLU 19 Ca 0.20 0.71 -0.38 0.00 -0.01 0.00 0.00 57.16 57.68 3jvo n GLU 19 Cb 0.52 -5.69 -0.11 0.00 -1.01 0.00 0.00 31.44 25.15 3jvo n GLU 19 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3jvo s PHE 20 N -3.30 3.19 -0.12 -0.32 5.36 0.18 -4.97 117.98 118.00 3jvo s PHE 20 Ca 0.62 -0.12 0.20 0.00 -0.96 0.00 0.00 56.93 56.67 3jvo s PHE 20 Cb -0.29 -2.37 -0.22 0.00 -0.34 0.00 0.00 43.02 39.80 3jvo s PHE 20 CO 0.77 -0.27 0.55 0.39 -1.46 0.00 0.00 175.22 175.20 3jvo n GLU 21 N 5.04 0.65 -1.72 10.12 -0.58 -1.26 -4.65 120.64 128.23 3jvo n GLU 21 Ca -0.14 0.01 -0.31 0.00 -0.42 0.00 0.00 57.16 56.29 3jvo n GLU 21 Cb 0.51 -1.64 0.04 0.00 -0.57 0.00 0.00 31.44 29.78 3jvo n GLU 21 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3jvo s GLU 22 N -3.09 3.12 -0.02 3.49 8.01 -1.26 -5.01 118.70 123.94 3jvo s GLU 22 Ca -0.06 0.98 0.08 0.00 0.01 0.00 0.00 54.97 55.98 3jvo s GLU 22 Cb 0.10 -2.01 0.23 0.00 -4.31 0.00 0.00 34.13 28.14 3jvo s GLU 22 CO 0.85 -0.96 1.19 -0.40 0.01 0.00 0.00 175.26 175.95 3jvo n ASP 23 N -2.82 2.70 -1.63 -0.19 5.68 -1.26 -4.63 116.55 114.40 3jvo n ASP 23 Ca 0.08 -2.10 0.10 0.00 -0.50 0.00 0.00 54.79 52.36 3jvo n ASP 23 Cb 0.53 -0.19 0.37 0.00 -1.14 0.00 0.00 41.12 40.69 3jvo n ASP 23 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3jvo n ASP 24 N 0.08 4.84 -1.05 -1.12 5.68 -1.26 -4.22 116.55 119.49 3jvo n ASP 24 Ca 0.09 -2.45 0.05 0.00 -0.50 0.00 0.00 54.79 51.98 3jvo n ASP 24 Cb 0.41 -0.59 0.10 0.00 -1.14 0.00 0.00 41.12 39.91 3jvo n ASP 24 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3jvo n ARG 25 N 1.18 0.71 -0.33 0.11 5.12 -1.26 -4.90 116.66 117.29 3jvo n ARG 25 Ca 0.26 -2.54 -0.04 0.00 -1.93 0.00 0.00 57.85 53.60 3jvo n ARG 25 Cb 0.90 -0.74 0.09 0.00 -1.16 0.00 0.00 32.46 31.55 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 0.95 1.13 -0.07 0.55 5.19 -1.92 -1.63 116.42 120.62 3jvo h ASP 26 Ca -0.12 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.17 3jvo h ASP 26 Cb 1.48 -0.29 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 3jvo h ASP 26 CO 0.05 0.92 0.03 -0.33 -3.12 0.00 0.00 179.24 176.79 3jvo h GLU 27 N 1.25 0.11 -0.32 3.56 3.07 -1.94 1.00 114.58 121.30 3jvo h GLU 27 Ca 0.31 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3jvo h GLU 27 Cb 0.06 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 3jvo h GLU 27 CO -0.05 0.23 0.21 1.25 -1.40 0.00 0.00 179.01 179.25 3jvo h LEU 28 N -0.04 0.37 -0.74 1.33 5.85 -1.92 -2.01 115.31 118.16 3jvo h LEU 28 Ca 0.02 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3jvo h LEU 28 Cb 0.16 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3jvo h LEU 28 CO -0.00 0.28 0.37 0.40 -0.34 0.00 0.00 178.44 179.15 3jvo h ILE 29 N 0.42 1.24 -0.57 4.05 2.04 -1.19 -1.96 117.51 121.54 3jvo h ILE 29 Ca 0.12 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.36 3jvo h ILE 29 Cb -0.03 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 3jvo h ILE 29 CO -0.02 0.27 0.34 0.74 0.00 0.00 0.00 178.15 179.48 3jvo h THR 30 N 1.03 1.04 -0.68 -0.27 2.02 -0.64 0.10 112.91 115.52 3jvo h THR 30 Ca 0.25 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3jvo h THR 30 Cb 0.10 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3jvo h THR 30 CO -0.03 0.12 0.42 0.25 0.37 0.00 0.00 175.52 176.64 3jvo h LEU 31 N 0.66 0.81 -0.34 2.58 6.46 -0.92 0.20 115.31 124.75 3jvo h LEU 31 Ca 0.23 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.91 3jvo h LEU 31 Cb 0.05 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 3jvo h LEU 31 CO -0.11 0.62 0.11 1.88 -0.62 0.00 0.00 178.44 180.32 3jvo h TYR 32 N 0.92 0.54 -0.39 1.25 0.05 -0.95 0.33 116.97 118.72 3jvo h TYR 32 Ca 0.24 -0.05 0.05 0.00 0.05 0.00 0.00 58.73 59.02 3jvo h TYR 32 Cb -0.04 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.50 3jvo h TYR 32 CO -0.02 0.53 0.14 0.00 -1.05 0.00 0.00 178.16 177.76 3jvo h ALA 33 N 0.95 0.46 -0.61 3.88 0.00 -0.41 0.08 119.26 123.61 3jvo h ALA 33 Ca 0.11 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3jvo h ALA 33 Cb 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3jvo h ALA 33 CO -0.00 -0.25 0.14 1.96 0.00 0.00 0.00 179.25 181.09 3jvo h GLN 34 N 0.30 0.99 -0.40 0.00 4.20 -0.39 -1.22 115.11 118.59 3jvo h GLN 34 Ca 0.18 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3jvo h GLN 34 Cb 0.16 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3jvo h GLN 34 CO -0.18 0.91 0.21 0.00 -0.67 0.00 0.00 178.83 179.09 3jvo h ALA 35 N 1.04 0.52 -0.44 3.87 0.00 -0.70 -0.93 119.26 122.62 3jvo h ALA 35 Ca 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3jvo h ALA 35 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3jvo h ALA 35 CO 0.00 0.06 0.21 0.00 0.00 0.00 0.00 179.25 179.52 3jvo h ALA 36 N 1.06 0.57 -0.23 0.00 0.00 -0.78 -1.01 119.26 118.86 3jvo h ALA 36 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3jvo h ALA 36 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3jvo h ALA 36 CO -0.02 0.14 0.10 0.35 0.00 0.00 0.00 179.25 179.82 3jvo h PHE 37 N 0.57 0.35 -0.37 0.00 3.57 -1.17 -0.22 116.94 119.67 3jvo h PHE 37 Ca 0.15 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.69 3jvo h PHE 37 Cb 0.13 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 3jvo h PHE 37 CO -0.01 0.37 0.00 0.22 -2.23 0.00 0.00 178.31 176.66 3jvo h ASP 38 N 0.23 -0.15 0.18 0.41 3.58 -1.06 -2.84 116.42 116.78 3jvo h ASP 38 Ca 0.08 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 3jvo h ASP 38 Cb 0.16 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 3jvo h ASP 38 CO -0.01 -0.04 -0.10 0.22 -2.88 0.00 0.00 179.24 176.43 3jvo h TYR 39 N 0.10 -0.27 0.00 0.28 3.20 -1.02 -1.92 116.97 117.35 3jvo h TYR 39 Ca 0.18 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3jvo h TYR 39 Cb 0.25 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3jvo h TYR 39 CO -0.25 -0.17 0.00 0.00 -1.64 0.00 0.00 178.16 176.10 3jvo n ARG 42 N 0.79 0.00 -0.11 0.00 1.74 -0.72 -0.94 116.66 117.42 3jvo n ARG 42 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 3jvo n ARG 42 Cb 0.10 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.51 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 0.79 -0.28 -1.55 7.01 -1.46 -3.05 115.95 117.41 3jvo h TRP 43 Ca 0.00 -0.19 -0.12 0.00 2.11 0.00 0.00 58.89 60.69 3jvo h TRP 43 Cb 0.00 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 26.86 3jvo h TRP 43 CO 0.00 0.89 -0.32 0.00 -2.79 0.00 0.00 178.44 176.22 3jvo n ASP 45 N -4.07 -2.60 -4.04 0.00 2.03 -1.16 -4.94 116.55 101.77 3jvo n ASP 45 Ca -0.01 -0.96 -0.34 0.00 0.52 0.00 0.00 54.79 54.01 3jvo n ASP 45 Cb 0.46 -3.49 -0.11 0.00 -0.72 0.00 0.00 41.12 37.26 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 -6.12 2.35 0.53 -0.67 2.56 -1.26 -4.94 118.70 111.14 3jvo s GLU 46 Ca 0.19 -2.59 0.35 0.00 0.00 0.00 0.00 54.97 52.92 3jvo s GLU 46 Cb -0.07 -3.57 1.72 0.00 2.00 0.00 0.00 34.13 34.21 3jvo s GLU 46 CO 0.85 -1.15 2.06 -1.00 -0.56 0.00 0.00 175.26 175.46 3jvo h PRO 47 N 6.79 0.00 0.00 4.30 0.13 -2.01 -2.60 132.00 138.61 3jvo h PRO 47 Ca -0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3jvo h PRO 47 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 3jvo h PRO 47 CO 0.70 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.47 3jvo h ALA 48 N 2.03 1.05 -1.41 -0.56 0.00 -2.02 -3.36 119.26 114.99 3jvo h ALA 48 Ca 0.00 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3jvo h ALA 48 Cb 0.21 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 3jvo h ALA 48 CO 0.00 0.01 1.00 -1.58 0.00 0.00 0.00 179.25 178.67 3jvo s TRP 49 N -4.12 2.35 -0.17 0.00 0.51 -0.98 -4.84 118.94 111.70 3jvo s TRP 49 Ca -0.04 -0.06 0.05 0.00 -2.12 0.00 0.00 56.10 53.92 3jvo s TRP 49 Cb 0.13 -4.58 -0.22 0.00 -0.81 0.00 0.00 33.47 27.98 3jvo s TRP 49 CO 0.45 -1.99 0.18 1.63 -0.51 0.00 0.00 176.95 176.70 3jvo n LYS 50 N 9.12 0.69 -4.50 4.98 5.02 -1.26 -4.99 118.16 127.23 3jvo n LYS 50 Ca 0.03 0.18 -0.24 0.00 -2.02 0.00 0.00 58.31 56.26 3jvo n LYS 50 Cb 0.49 -1.63 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 3jvo n LYS 50 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3jvo s VAL 51 N -2.54 1.79 0.26 -0.18 -7.23 -1.26 -4.76 120.40 106.48 3jvo s VAL 51 Ca -0.21 -2.10 -0.02 0.00 -1.81 0.00 0.00 61.98 57.85 3jvo s VAL 51 Cb 0.07 -2.67 0.24 0.00 0.56 0.00 0.00 36.38 34.58 3jvo s VAL 51 CO 0.74 -0.16 1.75 0.00 -0.31 0.00 0.00 175.10 177.12 3jvo h ALA 52 N 2.08 1.22 0.00 1.32 0.00 -1.93 -0.65 119.26 121.31 3jvo h ALA 52 Ca -0.41 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3jvo h ALA 52 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3jvo h ALA 52 CO 0.71 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3jvo h ALA 53 N 1.56 1.00 0.00 0.00 0.00 -1.97 -2.38 119.26 117.47 3jvo h ALA 53 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3jvo h ALA 53 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3jvo h ALA 53 CO -0.38 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.43 3jvo h ASP 54 N 0.00 0.00 -2.84 0.00 3.32 -1.52 -3.44 116.42 111.94 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 0.20 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3jvo h ASP 54 CO 0.00 0.00 1.01 -0.63 -1.72 0.00 0.00 179.24 177.90 3jvo s ILE 55 N -3.48 3.96 0.65 0.35 -1.09 -0.90 -4.90 121.20 115.79 3jvo s ILE 55 Ca 0.04 1.13 -0.17 0.00 -2.23 0.00 0.00 60.65 59.41 3jvo s ILE 55 Cb 0.08 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 3jvo s ILE 55 CO 0.57 -0.21 1.23 -2.84 -1.23 0.00 0.00 174.94 172.47 3jvo s PRO 56 N 4.00 2.61 0.37 2.79 0.02 -1.26 -4.85 135.00 138.68 3jvo s PRO 56 Ca 0.63 1.88 0.04 0.00 0.02 0.00 0.00 61.00 63.58 3jvo s PRO 56 Cb -0.24 -1.88 0.72 0.00 0.02 0.00 0.00 34.50 33.12 3jvo s PRO 56 CO 0.23 -1.50 2.02 0.00 -0.33 0.00 0.00 177.00 177.41 3jvo h ALA 57 N 0.45 1.62 -0.20 -1.55 0.00 -1.98 -1.90 119.26 115.71 3jvo h ALA 57 Ca -0.50 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 3jvo h ALA 57 Cb 1.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3jvo h ALA 57 CO 0.53 0.33 -0.23 0.00 0.00 0.00 0.00 179.25 179.88 3jvo h ALA 58 N 1.64 1.24 -0.33 0.00 0.00 -2.00 -1.87 119.26 117.95 3jvo h ALA 58 Ca 0.22 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3jvo h ALA 58 Cb -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3jvo h ALA 58 CO -0.05 0.50 -0.45 0.28 0.00 0.00 0.00 179.25 179.52 3jvo h VAL 59 N 0.32 1.28 -0.85 0.00 2.07 -1.73 -2.12 116.25 115.22 3jvo h VAL 59 Ca 0.05 -1.63 0.08 0.00 0.82 0.00 0.00 66.70 66.02 3jvo h VAL 59 Cb 0.59 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 3jvo h VAL 59 CO 0.04 0.54 0.55 0.11 0.02 0.00 0.00 177.57 178.83 3jvo h LYS 60 N 0.67 0.86 -0.57 1.57 1.57 -1.09 0.10 116.57 119.68 3jvo h LYS 60 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3jvo h LYS 60 Cb 1.05 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 3jvo h LYS 60 CO 0.11 0.57 0.32 0.78 -0.57 0.00 0.00 179.45 180.66 3jvo h GLY 61 N 0.89 0.84 0.97 3.86 0.00 -1.02 -2.17 103.07 106.43 3jvo h GLY 61 Ca 0.38 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 3jvo h GLY 61 CO -0.14 0.36 0.03 0.00 0.00 0.00 0.00 176.54 176.78 3jvo h ALA 62 N 1.15 0.07 -0.67 3.60 0.00 -0.65 -2.31 119.26 120.45 3jvo h ALA 62 Ca 0.20 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.21 3jvo h ALA 62 Cb 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 3jvo h ALA 62 CO -0.03 -0.42 0.22 0.28 0.00 0.00 0.00 179.25 179.29 3jvo h VAL 63 N 0.04 0.67 -0.73 0.00 2.07 -0.90 -0.98 116.25 116.41 3jvo h VAL 63 Ca 0.02 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 3jvo h VAL 63 Cb 0.03 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3jvo h VAL 63 CO -0.00 0.07 0.22 -0.07 0.02 0.00 0.00 177.57 177.80 3jvo h LEU 64 N 0.36 1.06 -0.62 2.57 3.38 -1.13 -0.33 115.31 120.60 3jvo h LEU 64 Ca 0.36 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3jvo h LEU 64 Cb 0.52 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3jvo h LEU 64 CO -0.39 0.98 0.30 -0.07 0.09 0.00 0.00 178.44 179.36 3jvo h LEU 65 N 1.08 0.81 -0.36 1.67 3.38 -0.83 -0.10 115.31 120.96 3jvo h LEU 65 Ca 0.23 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3jvo h LEU 65 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3jvo h LEU 65 CO -0.01 0.71 -0.20 0.58 0.09 0.00 0.00 178.44 179.61 3jvo h VAL 66 N 0.85 1.29 0.19 1.22 2.07 -0.97 -2.31 116.25 118.58 3jvo h VAL 66 Ca 0.21 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 3jvo h VAL 66 Cb 0.11 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3jvo h VAL 66 CO -0.03 0.44 -0.14 0.15 0.02 0.00 0.00 177.57 178.01 3jvo h PHE 67 N 0.56 -0.36 -0.61 1.57 3.57 -0.96 -2.99 116.94 117.72 3jvo h PHE 67 Ca 0.08 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3jvo h PHE 67 Cb 0.75 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 3jvo h PHE 67 CO 0.06 -0.21 0.41 0.00 -2.23 0.00 0.00 178.31 176.33 3jvo h ALA 68 N 0.47 1.62 0.00 2.41 0.00 -0.96 -1.80 119.26 121.00 3jvo h ALA 68 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3jvo h ALA 68 Cb 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3jvo h ALA 68 CO -0.00 0.33 0.00 -3.47 0.00 0.00 0.00 179.25 176.11 3jvo n ASP 69 N -4.46 0.17 0.00 0.00 2.03 -0.87 -1.04 116.55 112.38 3jvo n ASP 69 Ca 0.07 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.18 3jvo n ASP 69 Cb 0.09 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 0.63 0.00 0.00 -0.67 7.35 -0.68 0.02 117.46 124.12 3jvo n PHE 71 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 3jvo n PHE 71 Cb 0.03 0.00 -0.14 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 0.08 -4.31 -4.13 4.39 -1.37 -3.42 114.58 105.82 3jvo h GLU 72 Ca 0.00 -0.13 -0.67 0.00 0.34 0.00 0.00 59.36 58.89 3jvo h GLU 72 Cb 0.00 0.05 -0.38 0.00 -0.10 0.00 0.00 28.75 28.32 3jvo h GLU 72 CO 0.00 0.75 -0.60 -1.01 -1.16 0.00 0.00 179.01 176.99 3jvo s HIS 73 N -2.61 3.58 -1.53 4.33 3.76 0.10 -4.97 115.29 117.96 3jvo s HIS 73 Ca -0.07 -2.79 0.25 0.00 -0.15 0.00 0.00 55.06 52.30 3jvo s HIS 73 Cb 0.08 -3.05 0.49 0.00 1.11 0.00 0.00 32.58 31.20 3jvo s HIS 73 CO 0.82 -0.92 1.40 0.54 -0.85 0.00 0.00 174.74 175.73 3jvo n ARG 74 N 4.13 0.60 -4.81 1.40 5.12 -1.26 -4.93 116.66 116.91 3jvo n ARG 74 Ca 0.02 -0.40 -0.29 0.00 -1.93 0.00 0.00 57.85 55.26 3jvo n ARG 74 Cb 0.40 -1.49 -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 -2.67 2.06 0.42 0.55 -4.23 -1.26 -5.02 115.64 105.49 3jvo s THR 75 Ca 0.18 -1.39 0.38 0.00 -1.18 0.00 0.00 61.69 59.68 3jvo s THR 75 Cb 0.18 -1.78 0.41 0.00 1.34 0.00 0.00 72.50 72.66 3jvo s THR 75 CO 0.61 0.31 2.19 0.00 -0.54 0.00 0.00 174.62 177.18 3jvo h ALA 76 N 4.71 1.04 -3.43 3.99 0.00 -2.06 -3.42 119.26 120.10 3jvo h ALA 76 Ca -0.46 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.05 3jvo h ALA 76 Cb 1.15 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.71 3jvo h ALA 76 CO 0.43 0.02 -0.77 -0.65 0.00 0.00 0.00 179.25 178.28 3jvo s GLN 77 N -3.97 0.75 0.07 0.00 -0.21 -1.26 -5.17 119.66 109.87 3jvo s GLN 77 Ca -0.02 -0.84 0.04 0.00 0.02 0.00 0.00 55.36 54.55 3jvo s GLN 77 Cb 0.11 -0.70 -0.03 0.00 1.00 0.00 0.00 33.01 33.40 3jvo s GLN 77 CO 0.48 0.16 -0.12 -1.54 -2.12 0.00 0.00 175.29 172.15 3jvo s SER 78 N -1.54 1.46 0.42 5.90 1.04 -1.26 -5.03 113.70 114.70 3jvo s SER 78 Ca -0.03 -0.66 0.23 0.00 0.48 0.00 0.00 55.95 55.97 3jvo s SER 78 Cb -0.09 -0.02 0.53 0.00 0.10 0.00 0.00 66.02 66.54 3jvo s SER 78 CO 0.02 -0.15 1.67 -0.33 0.98 0.00 0.00 173.24 175.42 3jvo h GLU 79 N 4.13 0.00 -5.57 4.02 3.07 -2.02 -3.43 114.58 114.79 3jvo h GLU 79 Ca -0.39 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 57.82 3jvo h GLU 79 Cb 1.19 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.89 3jvo h GLU 79 CO 0.44 0.15 -0.69 0.54 -1.40 0.00 0.00 179.01 178.05 3jvo s VAL 80 N -3.29 3.67 0.35 3.13 0.11 -1.26 -5.10 120.40 118.01 3jvo s VAL 80 Ca 0.04 -0.46 -0.28 0.00 -2.93 0.00 0.00 61.98 58.35 3jvo s VAL 80 Cb 0.07 -2.56 -0.11 0.00 -1.53 0.00 0.00 36.38 32.24 3jvo s VAL 80 CO 0.66 0.53 1.47 1.67 -3.33 0.00 0.00 175.10 176.11 3jvo n GLN 81 N 3.12 2.57 -4.10 1.54 -0.06 -1.26 -5.01 117.38 114.18 3jvo n GLN 81 Ca -0.18 0.91 -0.34 0.00 -2.00 0.00 0.00 57.00 55.39 3jvo n GLN 81 Cb 0.53 -2.62 -0.07 0.00 -4.06 0.00 0.00 30.24 24.02 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 -1.52 3.96 -0.08 1.69 1.43 -1.26 -5.11 118.68 117.79 3jvo s LEU 82 Ca 0.56 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 3jvo s LEU 82 Cb -0.50 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 3jvo s LEU 82 CO 0.60 0.31 -0.17 -0.31 0.23 0.00 0.00 176.35 177.02 3jvo s TYR 83 N -1.12 2.67 0.20 0.29 2.02 -1.26 -5.09 117.35 115.05 3jvo s TYR 83 Ca 0.20 -0.46 -0.31 0.00 -0.37 0.00 0.00 57.07 56.13 3jvo s TYR 83 Cb -0.12 -1.69 -0.10 0.00 -0.40 0.00 0.00 41.96 39.65 3jvo s TYR 83 CO 0.10 -0.05 1.49 -2.00 -1.57 0.00 0.00 175.55 173.53 3jvo s GLU 84 N -0.24 4.25 -0.46 -0.62 2.12 -1.26 -4.97 118.70 117.52 3jvo s GLU 84 Ca 0.00 2.30 -0.26 0.00 0.36 0.00 0.00 54.97 57.37 3jvo s GLU 84 Cb -0.13 -3.14 0.03 0.00 0.26 0.00 0.00 34.13 31.14 3jvo s GLU 84 CO 0.03 -0.50 0.97 1.21 -0.54 0.00 0.00 175.26 176.43 3jvo s ASN 85 N 0.79 6.54 0.59 -1.70 3.84 -1.26 -4.94 114.94 118.80 3jvo s ASN 85 Ca 0.65 0.22 0.29 0.00 0.21 0.00 0.00 52.86 54.22 3jvo s ASN 85 Cb -0.42 -2.47 1.69 0.00 -0.55 0.00 0.00 41.25 39.49 3jvo s ASN 85 CO 0.36 -1.08 2.13 0.00 -2.79 0.00 0.00 177.10 175.72 3jvo h ALA 86 N 9.08 1.75 -0.88 1.71 0.00 -2.02 -2.60 119.26 126.30 3jvo h ALA 86 Ca -0.24 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.79 3jvo h ALA 86 Cb 1.07 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 3jvo h ALA 86 CO 1.05 -0.23 0.57 0.00 0.00 0.00 0.00 179.25 180.64 3jvo h ALA 87 N 1.82 1.76 0.79 0.00 0.00 -1.99 -1.59 119.26 120.05 3jvo h ALA 87 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3jvo h ALA 87 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3jvo h ALA 87 CO -0.00 0.03 -0.41 0.00 0.00 0.00 0.00 179.25 178.87 3jvo h ALA 88 N 1.59 -1.10 -0.20 0.00 0.00 -1.84 -3.02 119.26 114.67 3jvo h ALA 88 Ca 0.43 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3jvo h ALA 88 Cb 0.59 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3jvo h ALA 88 CO -0.19 -1.12 -0.44 1.49 0.00 0.00 0.00 179.25 178.98 3jvo h GLU 89 N -1.10 0.49 -4.97 0.00 4.22 -1.73 -3.44 114.58 108.06 3jvo h GLU 89 Ca -0.11 -0.26 -0.50 0.00 0.08 0.00 0.00 59.36 58.57 3jvo h GLU 89 Cb 0.85 0.01 0.11 0.00 0.50 0.00 0.00 28.75 30.22 3jvo h GLU 89 CO 0.16 0.84 1.26 0.54 -2.18 0.00 0.00 179.01 179.63 3jvo n ARG 90 N -4.01 0.22 0.00 1.92 1.74 -0.61 -4.63 116.66 111.29 3jvo n ARG 90 Ca -0.02 -1.24 0.00 0.00 -0.77 0.00 0.00 57.85 55.83 3jvo n ARG 90 Cb 0.53 -2.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.18 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 10.62 0.00 1.08 -1.55 7.35 -1.26 -4.87 117.46 128.82 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 0.43 0.00 0.28 0.00 0.35 0.00 0.00 39.48 40.54 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 0.00 -1.08 -2.13 -5.35 -1.26 -5.18 119.36 104.35 3jvo n ILE 94 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3jvo n ILE 94 Cb 0.00 -0.51 0.00 0.00 -1.74 0.00 0.00 39.64 37.39 3jvo n ILE 94 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20