#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 4.88 -0.23 0.00 1.01 -1.26 -5.04 121.20 120.55 3jvo s ILE 3 Ca 0.00 1.42 -0.24 0.00 0.00 0.00 0.00 60.65 61.83 3jvo s ILE 3 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 3jvo s ILE 3 CO 0.00 0.36 0.82 -0.62 0.00 0.00 0.00 174.94 175.50 3jvo s ASP 4 N 0.07 6.84 0.38 3.58 -1.08 -1.26 -4.95 116.67 120.25 3jvo s ASP 4 Ca 0.35 1.04 0.12 0.00 -0.52 0.00 0.00 52.55 53.54 3jvo s ASP 4 Cb -0.19 -2.43 0.91 0.00 -1.46 0.00 0.00 42.92 39.75 3jvo s ASP 4 CO 0.19 -0.49 1.86 1.62 0.52 0.00 0.00 175.17 178.88 3jvo h VAL 5 N 5.39 0.78 0.00 1.11 3.04 -1.93 0.03 116.25 124.66 3jvo h VAL 5 Ca -0.24 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 3jvo h VAL 5 Cb 1.10 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 3jvo h VAL 5 CO 0.86 0.11 0.00 0.18 -1.01 0.00 0.00 177.57 177.71 3jvo n LEU 6 N -4.55 0.43 0.11 3.16 4.77 -1.26 -0.90 117.00 118.76 3jvo n LEU 6 Ca 0.18 0.62 0.12 0.00 -0.03 0.00 0.00 56.01 56.90 3jvo n LEU 6 Cb 0.55 -0.57 0.20 0.00 -2.33 0.00 0.00 43.42 41.27 3jvo n LEU 6 CO 0.30 -0.51 0.52 0.44 -1.33 0.00 0.00 177.39 176.81 3jvo h ASP 7 N 0.00 0.00 0.00 -1.43 3.32 -1.39 -3.33 116.42 113.59 3jvo h ASP 7 Ca 0.00 -0.08 -0.24 0.00 0.02 0.00 0.00 57.03 56.73 3jvo h ASP 7 Cb 0.28 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 3jvo h ASP 7 CO 0.00 0.04 -1.40 0.52 -1.72 0.00 0.00 179.24 176.68 3jvo n VAL 8 N -2.43 1.52 -4.01 -1.35 0.31 -0.26 -4.82 118.33 107.30 3jvo n VAL 8 Ca 0.03 -0.06 -0.24 0.00 -0.01 0.00 0.00 64.34 64.06 3jvo n VAL 8 Cb 0.47 -2.07 -0.17 0.00 -0.91 0.00 0.00 33.84 31.17 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 -2.39 0.79 0.74 2.52 1.01 -0.08 -5.07 121.20 118.71 3jvo s ILE 9 Ca -0.29 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 3jvo s ILE 9 Cb 0.07 -0.83 0.04 0.00 0.01 0.00 0.00 42.46 41.76 3jvo s ILE 9 CO 0.52 0.31 1.17 -0.94 0.00 0.00 0.00 174.94 176.01 3jvo s SER 10 N 1.49 4.25 0.26 3.58 1.04 -1.25 -4.02 113.70 119.05 3jvo s SER 10 Ca -0.01 2.23 -0.03 0.00 0.48 0.00 0.00 55.95 58.62 3jvo s SER 10 Cb -0.13 -2.57 0.37 0.00 0.10 0.00 0.00 66.02 63.78 3jvo s SER 10 CO -0.04 -2.22 1.89 0.25 0.98 0.00 0.00 173.24 174.10 3jvo h LEU 11 N -0.46 1.07 -0.65 2.42 5.85 -1.95 -1.67 115.31 119.93 3jvo h LEU 11 Ca -0.47 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.35 3jvo h LEU 11 Cb 1.28 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 3jvo h LEU 11 CO 0.50 0.71 0.27 -1.28 -0.34 0.00 0.00 178.44 178.30 3jvo h SER 12 N 1.23 0.31 -0.43 1.25 0.87 -1.99 -1.34 113.55 113.44 3jvo h SER 12 Ca 0.42 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.98 3jvo h SER 12 Cb 0.08 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3jvo h SER 12 CO -0.15 0.18 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.25 3jvo h LEU 13 N 0.47 0.76 -0.71 2.23 3.38 -1.69 -2.13 115.31 117.63 3jvo h LEU 13 Ca 0.33 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3jvo h LEU 13 Cb 0.39 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 3jvo h LEU 13 CO -0.30 0.89 0.37 -0.26 0.09 0.00 0.00 178.44 179.23 3jvo h PHE 14 N 0.61 0.66 -0.48 1.13 0.04 -1.00 -0.87 116.94 117.03 3jvo h PHE 14 Ca 0.12 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.86 3jvo h PHE 14 Cb 0.51 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 3jvo h PHE 14 CO 0.04 0.26 0.04 0.87 -0.60 0.00 0.00 178.31 178.92 3jvo h LYS 15 N 0.63 0.78 -0.25 1.51 1.57 -1.11 -2.25 116.57 117.45 3jvo h LYS 15 Ca 0.34 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 3jvo h LYS 15 Cb 0.32 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3jvo h LYS 15 CO -0.25 0.76 -0.24 1.96 -0.57 0.00 0.00 179.45 181.11 3jvo h GLN 16 N 0.73 0.48 -0.66 3.15 4.20 -0.80 0.55 115.11 122.76 3jvo h GLN 16 Ca 0.15 -0.18 0.08 0.00 0.06 0.00 0.00 58.65 58.76 3jvo h GLN 16 Cb 0.39 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 3jvo h GLN 16 CO 0.01 0.69 0.32 0.37 -0.67 0.00 0.00 178.83 179.56 3jvo h GLN 17 N 0.43 0.56 -0.45 1.46 5.75 -0.57 -2.06 115.11 120.22 3jvo h GLN 17 Ca 0.06 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3jvo h GLN 17 Cb 0.66 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.08 3jvo h GLN 17 CO 0.05 0.37 0.00 0.44 -2.65 0.00 0.00 178.83 177.04 3jvo n ILE 18 N -4.88 0.59 -3.79 2.39 -5.35 -1.11 -4.96 119.36 102.25 3jvo n ILE 18 Ca 0.09 -0.70 -0.23 0.00 -0.27 0.00 0.00 62.75 61.65 3jvo n ILE 18 Cb 0.24 0.59 0.02 0.00 -1.74 0.00 0.00 39.64 38.75 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 1.16 -4.47 -3.95 6.28 1.02 -0.38 -4.96 120.64 115.33 3jvo n GLU 19 Ca 0.19 0.55 -0.34 0.00 -0.02 0.00 0.00 57.16 57.54 3jvo n GLU 19 Cb 0.51 -5.01 -0.14 0.00 -0.02 0.00 0.00 31.44 26.77 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 -3.72 3.18 -0.13 -0.32 5.36 0.05 -5.00 117.98 117.40 3jvo s PHE 20 Ca 0.06 -1.82 0.18 0.00 -0.96 0.00 0.00 56.93 54.39 3jvo s PHE 20 Cb -0.03 -2.06 -0.16 0.00 -0.34 0.00 0.00 43.02 40.43 3jvo s PHE 20 CO 0.84 -0.79 0.70 0.39 -1.46 0.00 0.00 175.22 174.90 3jvo n GLU 21 N 4.61 0.63 -1.67 10.12 4.71 -1.26 -4.63 120.64 133.15 3jvo n GLU 21 Ca -0.15 0.13 -0.33 0.00 -0.01 0.00 0.00 57.16 56.80 3jvo n GLU 21 Cb 0.45 -1.74 0.06 0.00 -1.01 0.00 0.00 31.44 29.20 3jvo n GLU 21 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3jvo s GLU 22 N -2.98 2.60 0.00 3.49 2.02 -1.26 -4.97 118.70 117.59 3jvo s GLU 22 Ca -0.04 1.52 0.12 0.00 0.02 0.00 0.00 54.97 56.59 3jvo s GLU 22 Cb 0.09 -1.91 0.11 0.00 0.10 0.00 0.00 34.13 32.51 3jvo s GLU 22 CO 0.82 -1.43 0.91 -0.25 0.02 0.00 0.00 175.26 175.33 3jvo n ASP 23 N -2.48 2.07 -0.37 -0.19 8.00 -1.26 -4.57 116.55 117.75 3jvo n ASP 23 Ca 0.11 -1.53 0.02 0.00 0.71 0.00 0.00 54.79 54.11 3jvo n ASP 23 Cb 0.51 -0.01 0.07 0.00 -0.02 0.00 0.00 41.12 41.68 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 0.70 1.03 -0.61 -2.24 5.75 -1.26 -3.82 116.55 116.09 3jvo n ASP 24 Ca 0.07 -2.03 0.05 0.00 -0.01 0.00 0.00 54.79 52.88 3jvo n ASP 24 Cb 0.32 -0.16 0.09 0.00 -1.03 0.00 0.00 41.12 40.33 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 -0.00 0.73 -0.31 0.11 5.12 -1.26 -4.88 116.66 116.16 3jvo n ARG 25 Ca 0.06 -2.19 -0.05 0.00 -1.93 0.00 0.00 57.85 53.74 3jvo n ARG 25 Cb 0.18 -0.93 0.08 0.00 -1.16 0.00 0.00 32.46 30.62 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 0.44 1.10 -0.21 0.55 3.32 -1.90 -0.37 116.42 119.35 3jvo h ASP 26 Ca -0.05 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3jvo h ASP 26 Cb 1.30 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3jvo h ASP 26 CO 0.02 0.93 0.00 -0.08 -1.72 0.00 0.00 179.24 178.39 3jvo h GLU 27 N 1.20 0.37 0.10 3.56 4.81 -1.91 0.20 114.58 122.91 3jvo h GLU 27 Ca 0.29 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3jvo h GLU 27 Cb 0.11 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 3jvo h GLU 27 CO -0.04 0.56 -0.06 1.25 -0.73 0.00 0.00 179.01 179.99 3jvo h LEU 28 N 0.13 -0.15 -0.64 1.64 5.85 -1.89 -1.60 115.31 118.66 3jvo h LEU 28 Ca 0.06 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3jvo h LEU 28 Cb 0.39 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3jvo h LEU 28 CO 0.01 -0.10 0.32 0.40 -0.34 0.00 0.00 178.44 178.73 3jvo h ILE 29 N -0.15 0.90 -0.98 4.05 2.04 -1.05 -0.90 117.51 121.41 3jvo h ILE 29 Ca -0.01 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.71 3jvo h ILE 29 Cb 0.13 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 3jvo h ILE 29 CO 0.01 0.11 0.64 0.74 0.00 0.00 0.00 178.15 179.64 3jvo h THR 30 N 0.58 1.10 -0.55 -0.27 2.02 -0.83 -0.64 112.91 114.31 3jvo h THR 30 Ca 0.30 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 3jvo h THR 30 Cb 0.26 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 3jvo h THR 30 CO -0.22 0.21 0.10 0.25 0.37 0.00 0.00 175.52 176.23 3jvo h LEU 31 N 1.16 0.87 -0.64 2.58 6.46 -0.18 -0.30 115.31 125.26 3jvo h LEU 31 Ca 0.42 -0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 3jvo h LEU 31 Cb 0.15 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 3jvo h LEU 31 CO -0.16 0.90 0.24 1.88 -0.62 0.00 0.00 178.44 180.68 3jvo h TYR 32 N 0.80 0.99 -0.46 1.25 0.05 -0.79 -0.20 116.97 118.62 3jvo h TYR 32 Ca 0.17 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 3jvo h TYR 32 Cb 0.39 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 3jvo h TYR 32 CO 0.03 0.79 0.22 0.00 -1.05 0.00 0.00 178.16 178.15 3jvo h ALA 33 N 1.10 0.59 -0.60 3.88 0.00 -0.89 0.26 119.26 123.62 3jvo h ALA 33 Ca 0.21 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3jvo h ALA 33 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3jvo h ALA 33 CO -0.01 0.16 0.13 1.96 0.00 0.00 0.00 179.25 181.48 3jvo h GLN 34 N 0.60 0.97 -0.42 0.00 4.20 -0.83 -1.13 115.11 118.49 3jvo h GLN 34 Ca 0.16 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 3jvo h GLN 34 Cb 0.12 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3jvo h GLN 34 CO -0.02 0.90 0.12 0.00 -0.67 0.00 0.00 178.83 179.16 3jvo h ALA 35 N 1.03 0.55 -0.65 3.87 0.00 -0.78 -0.02 119.26 123.26 3jvo h ALA 35 Ca 0.18 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3jvo h ALA 35 Cb 0.38 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3jvo h ALA 35 CO 0.01 0.21 0.10 0.00 0.00 0.00 0.00 179.25 179.57 3jvo h ALA 36 N 0.97 0.86 -0.08 0.00 0.00 -0.78 -1.24 119.26 118.98 3jvo h ALA 36 Ca 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3jvo h ALA 36 Cb 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3jvo h ALA 36 CO -0.00 0.63 -0.03 0.35 0.00 0.00 0.00 179.25 180.20 3jvo h PHE 37 N 0.99 0.19 -0.54 0.00 3.57 -1.08 -1.11 116.94 118.96 3jvo h PHE 37 Ca 0.20 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.75 3jvo h PHE 37 Cb 0.44 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.06 3jvo h PHE 37 CO 0.03 0.50 0.10 0.22 -2.23 0.00 0.00 178.31 176.94 3jvo h ASP 38 N -0.18 -0.01 0.13 0.41 3.58 -0.94 -2.65 116.42 116.76 3jvo h ASP 38 Ca 0.02 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 3jvo h ASP 38 Cb 0.45 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.64 3jvo h ASP 38 CO 0.01 0.02 -0.06 0.22 -2.88 0.00 0.00 179.24 176.54 3jvo h TYR 39 N 0.24 -0.16 0.00 0.28 3.20 -1.14 -1.28 116.97 118.11 3jvo h TYR 39 Ca 0.27 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3jvo h TYR 39 Cb 0.39 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.71 3jvo h TYR 39 CO -0.24 -0.03 0.00 0.00 -1.64 0.00 0.00 178.16 176.25 3jvo n ARG 42 N 0.75 0.00 -0.07 0.00 5.12 -0.48 -1.10 116.66 120.88 3jvo n ARG 42 Ca 0.00 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 3jvo n ARG 42 Cb 0.09 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.35 3jvo n ARG 42 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 3jvo h TRP 43 N 0.00 0.39 -0.39 -1.55 7.01 -1.46 -2.85 115.95 117.09 3jvo h TRP 43 Ca 0.00 -0.04 -0.13 0.00 2.11 0.00 0.00 58.89 60.83 3jvo h TRP 43 Cb 0.00 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 3jvo h TRP 43 CO 0.00 0.46 -0.26 0.00 -2.79 0.00 0.00 178.44 175.84 3jvo n ASP 45 N -4.09 -1.92 -4.18 0.00 2.03 -1.08 -0.65 116.55 106.65 3jvo n ASP 45 Ca -0.00 -0.74 -0.39 0.00 0.52 0.00 0.00 54.79 54.17 3jvo n ASP 45 Cb 0.46 -4.43 -0.10 0.00 -0.72 0.00 0.00 41.12 36.33 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 -5.84 2.32 0.47 -0.67 2.56 -1.26 -4.47 118.70 111.81 3jvo s GLU 46 Ca 0.07 -1.76 0.16 0.00 0.00 0.00 0.00 54.97 53.45 3jvo s GLU 46 Cb -0.03 -3.79 1.12 0.00 2.00 0.00 0.00 34.13 33.43 3jvo s GLU 46 CO 0.78 -1.13 2.04 -1.35 -0.56 0.00 0.00 175.26 175.04 3jvo h PRO 47 N 8.31 0.00 0.00 4.30 0.11 -2.01 -2.89 132.00 139.82 3jvo h PRO 47 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3jvo h PRO 47 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3jvo h PRO 47 CO 0.79 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.72 3jvo n ALA 48 N -2.48 2.16 -3.03 -0.75 0.00 -1.26 -4.38 120.51 110.77 3jvo n ALA 48 Ca -0.03 -0.11 -0.45 0.00 0.00 0.00 0.00 53.44 52.86 3jvo n ALA 48 Cb 0.21 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.11 3.25 -0.10 0.00 0.51 -1.09 -4.84 118.94 114.56 3jvo s TRP 49 Ca 0.26 -1.48 -0.02 0.00 -2.12 0.00 0.00 56.10 52.75 3jvo s TRP 49 Cb 0.13 -4.16 -0.25 0.00 -0.81 0.00 0.00 33.47 28.38 3jvo s TRP 49 CO 0.23 -1.36 0.43 1.63 -0.51 0.00 0.00 176.95 177.37 3jvo n LYS 50 N 5.96 0.73 -4.46 4.98 4.01 -1.26 -4.96 118.16 123.16 3jvo n LYS 50 Ca 0.18 0.27 -0.23 0.00 -0.51 0.00 0.00 58.31 58.02 3jvo n LYS 50 Cb 0.48 -1.73 -0.10 0.00 -0.51 0.00 0.00 35.03 33.17 3jvo n LYS 50 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3jvo s VAL 51 N -2.57 2.05 0.30 -0.18 -7.23 -1.26 -4.75 120.40 106.76 3jvo s VAL 51 Ca -0.18 -2.24 0.05 0.00 -1.81 0.00 0.00 61.98 57.80 3jvo s VAL 51 Cb 0.07 -2.39 0.30 0.00 0.56 0.00 0.00 36.38 34.92 3jvo s VAL 51 CO 0.78 -0.35 1.79 0.00 -0.31 0.00 0.00 175.10 177.01 3jvo h ALA 52 N 2.25 1.66 0.00 1.32 0.00 -1.93 0.86 119.26 123.43 3jvo h ALA 52 Ca -0.40 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3jvo h ALA 52 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3jvo h ALA 52 CO 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3jvo h ALA 53 N 1.62 1.00 0.00 0.00 0.00 -1.97 -2.62 119.26 117.29 3jvo h ALA 53 Ca 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.41 3jvo h ALA 53 Cb 0.82 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3jvo h ALA 53 CO -0.35 0.00 -0.25 -0.44 0.00 0.00 0.00 179.25 178.21 3jvo h ASP 54 N 0.00 0.00 -2.76 0.00 3.32 -1.22 -3.46 116.42 112.30 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 0.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3jvo h ASP 54 CO 0.00 0.25 0.96 -0.63 -1.72 0.00 0.00 179.24 178.11 3jvo s ILE 55 N -3.41 3.62 0.67 0.35 -1.09 -0.99 -4.96 121.20 115.40 3jvo s ILE 55 Ca 0.02 0.90 -0.16 0.00 -2.23 0.00 0.00 60.65 59.19 3jvo s ILE 55 Cb 0.09 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 37.39 3jvo s ILE 55 CO 0.66 -0.04 1.16 -2.84 -1.23 0.00 0.00 174.94 172.66 3jvo s PRO 56 N 3.18 2.57 0.24 2.79 0.02 -1.26 -4.86 135.00 137.68 3jvo s PRO 56 Ca 0.68 1.61 -0.05 0.00 0.02 0.00 0.00 61.00 63.26 3jvo s PRO 56 Cb -0.32 -1.90 0.36 0.00 0.02 0.00 0.00 34.50 32.66 3jvo s PRO 56 CO 0.27 -1.47 1.84 0.00 -0.33 0.00 0.00 177.00 177.31 3jvo h ALA 57 N 0.06 1.20 -0.67 -1.55 0.00 -1.99 -1.38 119.26 114.94 3jvo h ALA 57 Ca -0.48 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3jvo h ALA 57 Cb 1.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3jvo h ALA 57 CO 0.52 0.22 0.24 0.00 0.00 0.00 0.00 179.25 180.24 3jvo h ALA 58 N 1.43 1.17 -0.51 0.00 0.00 -1.99 -0.67 119.26 118.68 3jvo h ALA 58 Ca 0.39 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3jvo h ALA 58 Cb 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3jvo h ALA 58 CO -0.20 0.59 -0.13 0.28 0.00 0.00 0.00 179.25 179.79 3jvo h VAL 59 N 0.97 1.27 -0.86 0.00 2.07 -1.79 -1.36 116.25 116.55 3jvo h VAL 59 Ca 0.22 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.52 3jvo h VAL 59 Cb 0.23 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 3jvo h VAL 59 CO -0.02 0.45 0.55 0.11 0.02 0.00 0.00 177.57 178.68 3jvo h LYS 60 N 0.87 0.99 -0.54 1.57 1.57 -0.53 -1.08 116.57 119.42 3jvo h LYS 60 Ca 0.13 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3jvo h LYS 60 Cb 0.69 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 3jvo h LYS 60 CO 0.05 0.66 0.28 0.78 -0.57 0.00 0.00 179.45 180.65 3jvo h GLY 61 N 1.02 0.76 1.00 3.86 0.00 -0.63 -1.92 103.07 107.17 3jvo h GLY 61 Ca 0.36 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 3jvo h GLY 61 CO -0.15 0.13 0.29 0.00 0.00 0.00 0.00 176.54 176.81 3jvo h ALA 62 N 1.28 0.81 -0.71 3.60 0.00 -0.58 -2.55 119.26 121.12 3jvo h ALA 62 Ca 0.24 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3jvo h ALA 62 Cb 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3jvo h ALA 62 CO -0.16 0.38 0.47 0.28 0.00 0.00 0.00 179.25 180.23 3jvo h VAL 63 N 0.86 1.18 -0.99 0.00 2.07 -0.88 -0.45 116.25 118.05 3jvo h VAL 63 Ca 0.21 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.44 3jvo h VAL 63 Cb 0.14 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 29.99 3jvo h VAL 63 CO -0.02 0.17 0.65 -0.07 0.02 0.00 0.00 177.57 178.32 3jvo h LEU 64 N 0.95 1.07 -0.22 2.57 3.38 -1.23 0.13 115.31 121.96 3jvo h LEU 64 Ca 0.26 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 3jvo h LEU 64 Cb -0.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.41 3jvo h LEU 64 CO -0.06 0.73 -0.58 -0.07 0.09 0.00 0.00 178.44 178.55 3jvo h LEU 65 N 1.24 0.89 -0.35 1.67 3.38 -0.90 -1.38 115.31 119.86 3jvo h LEU 65 Ca 0.40 -0.57 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3jvo h LEU 65 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3jvo h LEU 65 CO -0.13 1.30 -0.07 0.58 0.09 0.00 0.00 178.44 180.22 3jvo h VAL 66 N 0.53 1.27 -0.06 1.22 2.07 -0.88 -1.77 116.25 118.63 3jvo h VAL 66 Ca -0.01 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.40 3jvo h VAL 66 Cb 1.19 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3jvo h VAL 66 CO 0.13 0.37 -0.02 0.15 0.02 0.00 0.00 177.57 178.22 3jvo h PHE 67 N 0.47 -0.04 -0.33 1.57 3.57 -0.71 -2.73 116.94 118.74 3jvo h PHE 67 Ca 0.09 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3jvo h PHE 67 Cb 0.57 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3jvo h PHE 67 CO 0.05 -0.03 -0.05 0.00 -2.23 0.00 0.00 178.31 176.05 3jvo h ALA 68 N 1.06 1.30 0.00 2.41 0.00 -1.19 -1.93 119.26 120.91 3jvo h ALA 68 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3jvo h ALA 68 Cb 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3jvo h ALA 68 CO -0.07 0.47 0.00 -3.47 0.00 0.00 0.00 179.25 176.18 3jvo n ASP 69 N -4.25 0.00 0.00 0.00 2.03 -0.67 -1.41 116.55 112.25 3jvo n ASP 69 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 3jvo n ASP 69 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.75 0.00 0.02 -0.67 7.35 -0.73 -0.31 117.46 123.87 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 39.69 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 -4.42 -4.13 4.39 -1.52 -3.44 114.58 105.55 3jvo h GLU 72 Ca 0.00 -0.14 -0.64 0.00 0.34 0.00 0.00 59.36 58.92 3jvo h GLU 72 Cb 0.00 0.05 -0.40 0.00 -0.10 0.00 0.00 28.75 28.30 3jvo h GLU 72 CO 0.00 0.80 -0.73 -1.01 -1.16 0.00 0.00 179.01 176.90 3jvo s HIS 73 N -2.62 3.22 -0.89 4.33 3.76 0.57 -4.99 115.29 118.68 3jvo s HIS 73 Ca -0.06 -2.64 0.23 0.00 -0.15 0.00 0.00 55.06 52.44 3jvo s HIS 73 Cb 0.08 -2.56 0.16 0.00 1.11 0.00 0.00 32.58 31.37 3jvo s HIS 73 CO 0.82 -0.92 1.15 0.54 -0.85 0.00 0.00 174.74 175.48 3jvo n ARG 74 N 4.41 0.08 -4.82 1.40 5.12 -1.26 -4.94 116.66 116.65 3jvo n ARG 74 Ca 0.01 -0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.63 3jvo n ARG 74 Cb 0.42 -1.53 -0.14 0.00 -1.16 0.00 0.00 32.46 30.05 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 -3.06 2.41 0.29 0.55 -4.23 -1.26 -5.02 115.64 105.32 3jvo s THR 75 Ca 0.08 -1.29 0.31 0.00 -1.18 0.00 0.00 61.69 59.61 3jvo s THR 75 Cb 0.16 -1.97 0.33 0.00 1.34 0.00 0.00 72.50 72.36 3jvo s THR 75 CO 0.78 0.37 2.03 0.00 -0.54 0.00 0.00 174.62 177.26 3jvo h ALA 76 N 4.73 1.10 -4.01 3.99 0.00 -2.06 -3.41 119.26 119.59 3jvo h ALA 76 Ca -0.47 -0.08 -0.51 0.00 0.00 0.00 0.00 54.91 53.85 3jvo h ALA 76 Cb 1.15 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.66 3jvo h ALA 76 CO 0.45 0.11 -0.82 -0.65 0.00 0.00 0.00 179.25 178.35 3jvo s GLN 77 N -3.91 1.19 0.15 0.00 -0.21 -1.26 -5.16 119.66 110.46 3jvo s GLN 77 Ca -0.01 -0.75 0.06 0.00 0.02 0.00 0.00 55.36 54.67 3jvo s GLN 77 Cb 0.11 -1.21 -0.04 0.00 1.00 0.00 0.00 33.01 32.87 3jvo s GLN 77 CO 0.56 0.31 -0.12 -1.54 -2.12 0.00 0.00 175.29 172.38 3jvo s SER 78 N -0.90 2.04 0.27 5.90 1.04 -1.26 -5.02 113.70 115.76 3jvo s SER 78 Ca 0.05 -0.95 0.09 0.00 0.48 0.00 0.00 55.95 55.62 3jvo s SER 78 Cb -0.08 -0.06 0.36 0.00 0.10 0.00 0.00 66.02 66.35 3jvo s SER 78 CO 0.01 -0.24 1.62 -0.33 0.98 0.00 0.00 173.24 175.28 3jvo h GLU 79 N 2.96 0.07 -5.37 4.02 3.07 -2.01 -3.43 114.58 113.88 3jvo h GLU 79 Ca -0.38 -0.04 -0.62 0.00 -0.50 0.00 0.00 59.36 57.81 3jvo h GLU 79 Cb 1.20 0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 28.97 3jvo h GLU 79 CO 0.59 0.64 -0.55 0.14 -1.40 0.00 0.00 179.01 178.43 3jvo s VAL 80 N -3.71 4.94 0.34 3.13 -7.23 -1.26 -5.07 120.40 111.54 3jvo s VAL 80 Ca -0.02 0.02 -0.28 0.00 -1.81 0.00 0.00 61.98 59.88 3jvo s VAL 80 Cb 0.13 -3.21 -0.12 0.00 0.56 0.00 0.00 36.38 33.74 3jvo s VAL 80 CO 0.77 0.49 1.43 1.67 -0.31 0.00 0.00 175.10 179.14 3jvo n GLN 81 N 3.25 2.45 -4.23 4.82 -0.06 -1.26 -5.01 117.38 117.34 3jvo n GLN 81 Ca -0.17 0.86 -0.34 0.00 -2.00 0.00 0.00 57.00 55.35 3jvo n GLN 81 Cb 0.53 -2.54 -0.08 0.00 -4.06 0.00 0.00 30.24 24.08 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 -1.35 3.75 -0.10 1.69 1.43 -1.26 -5.11 118.68 117.74 3jvo s LEU 82 Ca 0.56 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 3jvo s LEU 82 Cb -0.52 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 3jvo s LEU 82 CO 0.60 0.34 -0.10 -0.31 0.23 0.00 0.00 176.35 177.12 3jvo s TYR 83 N -1.01 2.86 0.25 0.29 2.02 -1.26 -5.09 117.35 115.42 3jvo s TYR 83 Ca 0.17 -0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.28 3jvo s TYR 83 Cb -0.12 -1.78 -0.11 0.00 -0.40 0.00 0.00 41.96 39.56 3jvo s TYR 83 CO 0.06 0.06 1.56 -2.00 -1.57 0.00 0.00 175.55 173.67 3jvo s GLU 84 N -0.22 4.18 -0.36 -0.62 2.12 -1.26 -4.98 118.70 117.57 3jvo s GLU 84 Ca 0.02 2.47 -0.19 0.00 0.36 0.00 0.00 54.97 57.63 3jvo s GLU 84 Cb -0.13 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.19 3jvo s GLU 84 CO 0.03 -0.58 0.58 1.21 -0.54 0.00 0.00 175.26 175.96 3jvo s ASN 85 N 0.62 6.37 0.56 -1.70 3.84 -1.26 -4.97 114.94 118.41 3jvo s ASN 85 Ca 0.64 0.05 0.24 0.00 0.21 0.00 0.00 52.86 54.00 3jvo s ASN 85 Cb -0.46 -2.30 1.58 0.00 -0.55 0.00 0.00 41.25 39.52 3jvo s ASN 85 CO 0.42 -0.55 2.20 0.00 -2.79 0.00 0.00 177.10 176.39 3jvo h ALA 86 N 8.48 1.75 -0.76 1.71 0.00 -2.03 -3.06 119.26 125.34 3jvo h ALA 86 Ca -0.27 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.76 3jvo h ALA 86 Cb 1.12 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3jvo h ALA 86 CO 0.81 -0.02 0.50 0.00 0.00 0.00 0.00 179.25 180.55 3jvo h ALA 87 N 1.99 1.90 0.44 0.00 0.00 -1.99 -2.30 119.26 119.31 3jvo h ALA 87 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3jvo h ALA 87 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3jvo h ALA 87 CO -0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 179.25 178.96 3jvo h ALA 88 N 1.63 -0.59 -0.73 0.00 0.00 -1.91 -3.15 119.26 114.51 3jvo h ALA 88 Ca 0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3jvo h ALA 88 Cb 0.60 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3jvo h ALA 88 CO -0.13 -0.73 0.29 1.05 0.00 0.00 0.00 179.25 179.73 3jvo h GLU 89 N -0.80 1.08 -5.00 0.00 -0.00 -1.76 -3.44 114.58 104.65 3jvo h GLU 89 Ca -0.06 -0.19 -0.38 0.00 -0.00 0.00 0.00 59.36 58.73 3jvo h GLU 89 Cb 0.55 -0.18 0.06 0.00 -0.00 0.00 0.00 28.75 29.18 3jvo h GLU 89 CO 0.10 0.87 1.07 0.54 -0.00 0.00 0.00 179.01 181.59 3jvo n ARG 90 N -4.29 0.51 0.00 1.06 1.74 -0.87 -4.67 116.66 110.13 3jvo n ARG 90 Ca 0.07 -1.57 0.00 0.00 -0.77 0.00 0.00 57.85 55.58 3jvo n ARG 90 Cb 0.18 -3.19 0.00 0.00 -1.02 0.00 0.00 32.46 28.43 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 12.91 0.00 0.91 -1.55 7.35 -1.26 -4.85 117.46 130.97 3jvo n PHE 93 Ca 0.45 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 0.48 0.00 0.35 0.00 0.00 39.48 40.75 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 0.40 -1.33 -2.13 -6.64 -1.26 -2.14 119.36 106.25 3jvo n ILE 94 Ca 0.00 0.10 0.07 0.00 -1.77 0.00 0.00 62.75 61.15 3jvo n ILE 94 Cb 0.00 -0.79 0.10 0.00 -1.44 0.00 0.00 39.64 37.51 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 -1.26 0.00 -2.63 4.28 8.25 -1.26 -5.05 115.22 117.54 3jvo n HIS 95 Ca 0.09 -0.75 -0.42 0.00 -0.26 0.00 0.00 57.72 56.38 3jvo n HIS 95 Cb 0.14 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 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 -2.12 4.54 -0.31 -0.41 6.06 -0.91 -4.84 118.95 120.96 3jvo s ARG 96 Ca 0.24 1.52 -0.29 0.00 -2.50 0.00 0.00 55.73 54.70 3jvo s ARG 96 Cb 0.21 -3.42 0.01 0.00 0.06 0.00 0.00 34.95 31.82 3jvo s ARG 96 CO 0.02 -0.08 1.05 1.21 -2.50 0.00 0.00 175.30 174.99 3jvo s ASN 97 N 0.93 6.93 0.00 -2.12 2.47 0.17 -5.06 114.94 118.27 3jvo s ASN 97 Ca 0.53 1.07 0.24 0.00 0.42 0.00 0.00 52.86 55.12 3jvo s ASN 97 Cb -0.24 -2.53 0.22 0.00 -1.45 0.00 0.00 41.25 37.26 3jvo s ASN 97 CO 0.29 -0.83 1.28 0.79 -3.72 0.00 0.00 177.10 174.91