#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 5.14 -0.21 0.00 1.01 -1.26 -5.06 121.20 120.82 3jvo s ILE 3 Ca 0.00 0.75 -0.19 0.00 0.00 0.00 0.00 60.65 61.20 3jvo s ILE 3 Cb 0.00 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3jvo s ILE 3 CO 0.00 0.52 0.57 -0.62 0.00 0.00 0.00 174.94 175.41 3jvo s ASP 4 N -0.60 6.59 0.43 3.58 -1.08 -1.26 -4.96 116.67 119.38 3jvo s ASP 4 Ca 0.22 0.72 0.17 0.00 -0.52 0.00 0.00 52.55 53.14 3jvo s ASP 4 Cb -0.15 -2.32 1.08 0.00 -1.46 0.00 0.00 42.92 40.07 3jvo s ASP 4 CO 0.11 -0.25 1.91 1.62 0.52 0.00 0.00 175.17 179.08 3jvo h VAL 5 N 5.20 0.77 0.00 1.11 3.04 -1.93 -0.37 116.25 124.08 3jvo h VAL 5 Ca -0.32 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3jvo h VAL 5 Cb 1.15 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 3jvo h VAL 5 CO 0.75 0.07 0.00 0.18 -1.01 0.00 0.00 177.57 177.56 3jvo n LEU 6 N -4.47 0.62 0.07 3.16 4.77 -1.26 -0.77 117.00 119.12 3jvo n LEU 6 Ca 0.15 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.88 3jvo n LEU 6 Cb 0.57 -0.49 0.31 0.00 -2.33 0.00 0.00 43.42 41.48 3jvo n LEU 6 CO 0.33 -0.40 0.64 0.47 -1.33 0.00 0.00 177.39 177.09 3jvo n ASP 7 N -2.15 0.70 -0.11 -1.43 8.00 -0.15 -3.92 116.55 117.48 3jvo n ASP 7 Ca 0.03 0.33 -0.25 0.00 0.71 0.00 0.00 54.79 55.62 3jvo n ASP 7 Cb 0.29 -0.31 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 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 -2.11 1.55 -3.82 2.53 0.31 -0.09 -4.82 118.33 111.88 3jvo n VAL 8 Ca 0.05 -0.34 -0.23 0.00 -0.01 0.00 0.00 64.34 63.81 3jvo n VAL 8 Cb 0.42 -1.85 -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 -2.47 0.44 0.69 2.52 1.01 0.05 -5.07 121.20 118.37 3jvo s ILE 9 Ca -0.33 0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 3jvo s ILE 9 Cb 0.10 -0.57 0.02 0.00 0.01 0.00 0.00 42.46 42.02 3jvo s ILE 9 CO 0.57 0.26 1.13 -0.94 0.00 0.00 0.00 174.94 175.96 3jvo s SER 10 N 1.83 4.77 0.27 3.58 1.04 -1.25 -4.02 113.70 119.91 3jvo s SER 10 Ca 0.03 2.07 -0.00 0.00 0.48 0.00 0.00 55.95 58.53 3jvo s SER 10 Cb -0.12 -2.56 0.53 0.00 0.10 0.00 0.00 66.02 63.97 3jvo s SER 10 CO -0.05 -1.86 1.79 0.25 0.98 0.00 0.00 173.24 174.35 3jvo h LEU 11 N -0.21 0.67 -1.04 2.42 5.85 -1.94 -1.84 115.31 119.21 3jvo h LEU 11 Ca -0.47 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.37 3jvo h LEU 11 Cb 1.26 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 3jvo h LEU 11 CO 0.52 0.32 0.64 -1.28 -0.34 0.00 0.00 178.44 178.30 3jvo h SER 12 N 0.75 1.06 -0.21 1.25 0.87 -1.99 -1.26 113.55 114.03 3jvo h SER 12 Ca 0.47 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.97 3jvo h SER 12 Cb 0.59 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 3jvo h SER 12 CO -0.32 0.72 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.54 3jvo h LEU 13 N 1.23 0.43 -0.83 2.23 3.38 -1.70 -2.17 115.31 117.88 3jvo h LEU 13 Ca 0.39 -0.40 0.17 0.00 0.09 0.00 0.00 57.88 58.13 3jvo h LEU 13 Cb 0.03 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 40.55 3jvo h LEU 13 CO -0.13 0.74 0.36 -0.26 0.09 0.00 0.00 178.44 179.24 3jvo h PHE 14 N 0.13 0.61 -0.52 1.13 0.04 -1.15 0.94 116.94 118.12 3jvo h PHE 14 Ca 0.05 0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.76 3jvo h PHE 14 Cb 0.57 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 3jvo h PHE 14 CO 0.06 0.05 -0.06 0.87 -0.60 0.00 0.00 178.31 178.63 3jvo h LYS 15 N 0.47 0.96 -1.00 1.51 1.57 -1.16 -2.57 116.57 116.34 3jvo h LYS 15 Ca 0.48 -0.34 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3jvo h LYS 15 Cb 0.79 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 3jvo h LYS 15 CO -0.44 1.00 0.66 1.96 -0.57 0.00 0.00 179.45 182.06 3jvo h GLN 16 N 0.83 1.27 -0.67 3.15 4.20 -0.68 0.41 115.11 123.63 3jvo h GLN 16 Ca 0.14 -0.08 0.12 0.00 0.06 0.00 0.00 58.65 58.89 3jvo h GLN 16 Cb 0.61 -0.29 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 3jvo h GLN 16 CO 0.04 0.84 0.24 0.37 -0.67 0.00 0.00 178.83 179.65 3jvo h GLN 17 N 1.31 0.39 -0.39 1.46 5.75 -0.43 -1.51 115.11 121.68 3jvo h GLN 17 Ca 0.38 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 3jvo h GLN 17 Cb -0.08 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.39 3jvo h GLN 17 CO -0.10 0.26 0.00 0.44 -2.65 0.00 0.00 178.83 176.77 3jvo n ILE 18 N -5.02 0.51 -3.88 2.39 -5.35 -1.11 -4.96 119.36 101.94 3jvo n ILE 18 Ca 0.11 -0.65 -0.29 0.00 -0.27 0.00 0.00 62.75 61.65 3jvo n ILE 18 Cb 0.34 0.65 0.02 0.00 -1.74 0.00 0.00 39.64 38.91 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 1.11 -5.31 -3.55 6.28 1.02 -0.39 -4.95 120.64 114.85 3jvo n GLU 19 Ca 0.19 0.59 -0.41 0.00 -0.02 0.00 0.00 57.16 57.51 3jvo n GLU 19 Cb 0.50 -5.39 -0.11 0.00 -0.02 0.00 0.00 31.44 26.42 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 -3.39 3.23 -0.55 -0.32 5.36 -0.00 -4.99 117.98 117.32 3jvo s PHE 20 Ca 0.52 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.77 3jvo s PHE 20 Cb -0.26 -2.48 0.50 0.00 -0.34 0.00 0.00 43.02 40.44 3jvo s PHE 20 CO 0.83 -0.58 1.88 0.39 -1.46 0.00 0.00 175.22 176.27 3jvo n GLU 21 N 5.06 2.64 -4.47 10.12 4.71 -1.26 -4.66 120.64 132.78 3jvo n GLU 21 Ca -0.12 -3.32 -0.23 0.00 -0.01 0.00 0.00 57.16 53.48 3jvo n GLU 21 Cb 0.47 -2.23 -0.10 0.00 -1.01 0.00 0.00 31.44 28.57 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 -3.65 1.65 0.00 3.49 0.41 -1.26 -5.06 118.70 114.28 3jvo s GLU 22 Ca 0.60 -1.80 0.11 0.00 -0.41 0.00 0.00 54.97 53.48 3jvo s GLU 22 Cb 0.49 -1.56 0.11 0.00 -1.78 0.00 0.00 34.13 31.39 3jvo s GLU 22 CO 0.02 0.21 0.90 -0.25 -0.49 0.00 0.00 175.26 175.65 3jvo n ASP 23 N -0.63 2.05 -0.49 -0.19 10.43 -1.26 -4.64 116.55 121.81 3jvo n ASP 23 Ca -0.06 -1.53 0.07 0.00 2.57 0.00 0.00 54.79 55.85 3jvo n ASP 23 Cb 0.62 -0.02 0.27 0.00 1.84 0.00 0.00 41.12 43.82 3jvo n ASP 23 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3jvo n ASP 24 N 0.63 1.45 -0.69 -2.24 5.75 -1.26 -3.60 116.55 116.59 3jvo n ASP 24 Ca 0.07 -1.83 0.05 0.00 -0.01 0.00 0.00 54.79 53.07 3jvo n ASP 24 Cb 0.30 -0.14 0.08 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 0.23 0.63 -0.37 0.11 5.12 -1.26 -4.85 116.66 116.27 3jvo n ARG 25 Ca 0.13 -2.12 0.01 0.00 -1.93 0.00 0.00 57.85 53.94 3jvo n ARG 25 Cb 0.26 -0.83 0.16 0.00 -1.16 0.00 0.00 32.46 30.89 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 0.48 1.06 -0.22 0.55 3.32 -1.88 -0.66 116.42 119.07 3jvo h ASP 26 Ca -0.06 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 3jvo h ASP 26 Cb 1.36 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 3jvo h ASP 26 CO 0.03 0.70 -0.10 -0.08 -1.72 0.00 0.00 179.24 178.07 3jvo h GLU 27 N 1.21 0.45 -0.19 3.56 4.81 -1.90 0.09 114.58 122.62 3jvo h GLU 27 Ca 0.42 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3jvo h GLU 27 Cb 0.09 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3jvo h GLU 27 CO -0.15 0.73 0.11 1.25 -0.73 0.00 0.00 179.01 180.21 3jvo h LEU 28 N 0.16 0.23 -0.77 1.64 5.85 -1.89 -1.40 115.31 119.13 3jvo h LEU 28 Ca 0.05 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3jvo h LEU 28 Cb 0.59 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3jvo h LEU 28 CO 0.03 0.23 0.50 0.40 -0.34 0.00 0.00 178.44 179.27 3jvo h ILE 29 N 0.20 1.15 -0.74 4.05 2.04 -1.08 -0.96 117.51 122.19 3jvo h ILE 29 Ca 0.07 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 3jvo h ILE 29 Cb 0.05 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 3jvo h ILE 29 CO -0.01 0.18 0.44 0.74 0.00 0.00 0.00 178.15 179.50 3jvo h THR 30 N 1.00 1.21 -0.18 -0.27 2.02 -0.82 0.06 112.91 115.93 3jvo h THR 30 Ca 0.30 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3jvo h THR 30 Cb -0.05 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3jvo h THR 30 CO -0.09 0.22 0.12 0.25 0.37 0.00 0.00 175.52 176.39 3jvo h LEU 31 N 1.00 0.21 -0.86 2.58 6.46 -0.46 0.27 115.31 124.52 3jvo h LEU 31 Ca 0.26 -0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.07 3jvo h LEU 31 Cb -0.03 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 39.78 3jvo h LEU 31 CO -0.05 0.17 0.53 1.88 -0.62 0.00 0.00 178.44 180.34 3jvo h TYR 32 N 0.24 0.97 -0.52 1.25 0.05 -0.71 -0.62 116.97 117.63 3jvo h TYR 32 Ca 0.07 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 3jvo h TYR 32 Cb -0.02 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.39 3jvo h TYR 32 CO -0.06 0.48 0.17 0.00 -1.05 0.00 0.00 178.16 177.70 3jvo h ALA 33 N 1.42 0.68 -0.46 3.88 0.00 -0.50 -0.53 119.26 123.74 3jvo h ALA 33 Ca 0.38 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3jvo h ALA 33 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3jvo h ALA 33 CO -0.19 0.32 0.15 1.96 0.00 0.00 0.00 179.25 181.49 3jvo h GLN 34 N 0.70 0.71 -0.09 0.00 4.20 -0.62 -1.42 115.11 118.59 3jvo h GLN 34 Ca 0.17 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3jvo h GLN 34 Cb 0.26 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 3jvo h GLN 34 CO -0.01 0.68 0.03 0.00 -0.67 0.00 0.00 178.83 178.86 3jvo h ALA 35 N 1.00 0.12 -0.50 3.87 0.00 -0.95 0.29 119.26 123.08 3jvo h ALA 35 Ca 0.15 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3jvo h ALA 35 Cb 0.26 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3jvo h ALA 35 CO -0.01 -0.27 0.17 0.00 0.00 0.00 0.00 179.25 179.15 3jvo h ALA 36 N 0.85 0.61 -0.28 0.00 0.00 -1.05 0.79 119.26 120.18 3jvo h ALA 36 Ca 0.03 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3jvo h ALA 36 Cb 0.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3jvo h ALA 36 CO -0.00 -0.22 -0.00 0.35 0.00 0.00 0.00 179.25 179.38 3jvo h PHE 37 N 0.35 0.54 -0.43 0.00 3.57 -1.12 -0.73 116.94 119.12 3jvo h PHE 37 Ca 0.24 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3jvo h PHE 37 Cb 0.26 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3jvo h PHE 37 CO -0.16 0.64 0.25 0.22 -2.23 0.00 0.00 178.31 177.03 3jvo h ASP 38 N 0.28 0.41 0.36 0.41 3.58 -0.77 -2.87 116.42 117.83 3jvo h ASP 38 Ca 0.08 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 3jvo h ASP 38 Cb 0.43 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 3jvo h ASP 38 CO 0.01 0.30 -0.29 0.22 -2.88 0.00 0.00 179.24 176.60 3jvo h TYR 39 N 0.51 -0.78 0.00 0.28 3.20 -0.62 -2.29 116.97 117.27 3jvo h TYR 39 Ca 0.17 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3jvo h TYR 39 Cb 0.00 0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.57 3jvo h TYR 39 CO -0.07 -0.43 0.00 0.00 -1.64 0.00 0.00 178.16 176.02 3jvo n ARG 42 N 0.81 0.00 -0.19 0.00 5.12 -0.86 -1.03 116.66 120.51 3jvo n ARG 42 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 3jvo n ARG 42 Cb 0.06 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.37 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 1.16 0.10 -1.55 7.01 -1.57 -2.97 115.95 118.13 3jvo h TRP 43 Ca 0.00 -0.24 -0.27 0.00 2.11 0.00 0.00 58.89 60.49 3jvo h TRP 43 Cb 0.00 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 26.77 3jvo h TRP 43 CO 0.00 1.07 -1.25 0.00 -2.79 0.00 0.00 178.44 175.47 3jvo n ASP 45 N -3.48 -1.64 -4.31 0.00 2.03 -1.12 -1.90 116.55 106.12 3jvo n ASP 45 Ca -0.08 -0.84 -0.41 0.00 0.52 0.00 0.00 54.79 53.97 3jvo n ASP 45 Cb 1.01 -3.99 -0.10 0.00 -0.72 0.00 0.00 41.12 37.33 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 -5.95 2.70 0.39 -0.67 2.56 -1.26 -4.60 118.70 111.88 3jvo s GLU 46 Ca 0.06 -1.38 0.09 0.00 0.00 0.00 0.00 54.97 53.74 3jvo s GLU 46 Cb -0.02 -3.83 0.78 0.00 2.00 0.00 0.00 34.13 33.06 3jvo s GLU 46 CO 0.82 -0.92 1.93 -1.35 -0.56 0.00 0.00 175.26 175.18 3jvo h PRO 47 N 8.47 0.30 0.00 4.30 0.11 -2.02 -3.13 132.00 140.03 3jvo h PRO 47 Ca -0.24 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3jvo h PRO 47 Cb 1.09 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3jvo h PRO 47 CO 0.76 0.39 0.00 0.00 -0.21 0.00 0.00 178.00 178.94 3jvo n ALA 48 N -2.49 1.32 -2.54 -0.75 0.00 -1.26 -4.36 120.51 110.44 3jvo n ALA 48 Ca -0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.02 3jvo n ALA 48 Cb 0.24 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.74 3.23 0.00 0.00 0.51 -1.19 -4.93 118.94 113.82 3jvo s TRP 49 Ca 0.03 -0.14 0.00 0.00 -2.12 0.00 0.00 56.10 53.87 3jvo s TRP 49 Cb 0.03 -2.50 0.00 0.00 -0.81 0.00 0.00 33.47 30.19 3jvo s TRP 49 CO 0.07 -0.35 0.00 1.63 -0.51 0.00 0.00 176.95 177.79 3jvo n LYS 50 N 5.15 0.96 -4.47 4.98 5.02 -1.26 -5.03 118.16 123.50 3jvo n LYS 50 Ca -0.12 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.94 3jvo n LYS 50 Cb 0.50 -0.98 -0.10 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.92 2.15 0.30 -0.18 -7.23 -1.26 -4.84 120.40 107.43 3jvo s VAL 51 Ca 0.00 -2.27 0.06 0.00 -1.81 0.00 0.00 61.98 57.96 3jvo s VAL 51 Cb 0.00 -2.39 0.30 0.00 0.56 0.00 0.00 36.38 34.85 3jvo s VAL 51 CO 0.00 -0.36 1.77 0.00 -0.31 0.00 0.00 175.10 176.21 3jvo h ALA 52 N 2.24 1.67 0.00 1.32 0.00 -1.93 -0.64 119.26 121.93 3jvo h ALA 52 Ca -0.40 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3jvo h ALA 52 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3jvo h ALA 52 CO 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3jvo n ALA 53 N -2.33 1.69 0.20 0.00 0.00 -1.26 -2.83 120.51 115.99 3jvo n ALA 53 Ca 0.24 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.81 3jvo n ALA 53 Cb 0.58 -1.36 0.25 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.90 0.00 3.32 -1.52 -3.46 116.42 111.86 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 0.36 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3jvo h ASP 54 CO 0.00 0.22 0.87 -0.63 -1.72 0.00 0.00 179.24 177.97 3jvo s ILE 55 N -3.29 4.02 0.76 0.35 1.01 -1.13 -4.94 121.20 117.99 3jvo s ILE 55 Ca 0.04 1.31 -0.12 0.00 0.00 0.00 0.00 60.65 61.88 3jvo s ILE 55 Cb 0.07 -3.85 0.05 0.00 0.01 0.00 0.00 42.46 38.75 3jvo s ILE 55 CO 0.67 -0.06 1.10 -2.84 0.00 0.00 0.00 174.94 173.81 3jvo s PRO 56 N 3.01 2.29 0.21 2.79 0.02 -1.26 -4.84 135.00 137.22 3jvo s PRO 56 Ca 0.60 1.26 -0.09 0.00 0.02 0.00 0.00 61.00 62.79 3jvo s PRO 56 Cb -0.27 -1.90 0.17 0.00 0.02 0.00 0.00 34.50 32.52 3jvo s PRO 56 CO 0.21 -1.63 1.84 0.00 -0.33 0.00 0.00 177.00 177.10 3jvo h ALA 57 N -0.90 1.02 -0.10 -1.55 0.00 -1.99 -2.04 119.26 113.70 3jvo h ALA 57 Ca -0.44 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 3jvo h ALA 57 Cb 1.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3jvo h ALA 57 CO 0.51 0.51 -0.17 0.00 0.00 0.00 0.00 179.25 180.10 3jvo h ALA 58 N 1.24 1.53 -0.17 0.00 0.00 -1.99 -1.24 119.26 118.62 3jvo h ALA 58 Ca 0.28 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 3jvo h ALA 58 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3jvo h ALA 58 CO -0.05 0.34 -0.69 0.28 0.00 0.00 0.00 179.25 179.13 3jvo h VAL 59 N 0.15 1.30 -0.91 0.00 2.07 -1.76 -1.73 116.25 115.37 3jvo h VAL 59 Ca 0.03 -1.93 0.04 0.00 0.82 0.00 0.00 66.70 65.66 3jvo h VAL 59 Cb 0.40 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 3jvo h VAL 59 CO 0.03 0.61 0.59 0.11 0.02 0.00 0.00 177.57 178.92 3jvo h LYS 60 N 0.50 1.10 -0.37 1.57 1.57 -0.89 -0.21 116.57 119.84 3jvo h LYS 60 Ca -0.03 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3jvo h LYS 60 Cb 1.29 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3jvo h LYS 60 CO 0.14 0.73 0.24 0.78 -0.57 0.00 0.00 179.45 180.77 3jvo h GLY 61 N 1.14 0.52 0.96 3.86 0.00 -1.00 -1.48 103.07 107.07 3jvo h GLY 61 Ca 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3jvo h GLY 61 CO -0.12 0.18 0.22 0.00 0.00 0.00 0.00 176.54 176.81 3jvo h ALA 62 N 1.14 0.56 -0.57 3.60 0.00 -0.97 -2.08 119.26 120.95 3jvo h ALA 62 Ca 0.14 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3jvo h ALA 62 Cb -0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 3jvo h ALA 62 CO -0.04 0.12 0.19 0.28 0.00 0.00 0.00 179.25 179.80 3jvo h VAL 63 N 0.57 0.77 -0.58 0.00 2.07 -0.78 -1.13 116.25 117.17 3jvo h VAL 63 Ca 0.15 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3jvo h VAL 63 Cb 0.11 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3jvo h VAL 63 CO -0.02 0.07 0.19 -0.07 0.02 0.00 0.00 177.57 177.76 3jvo h LEU 64 N 0.37 0.80 -0.24 2.57 3.38 -0.97 -0.79 115.31 120.43 3jvo h LEU 64 Ca 0.28 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3jvo h LEU 64 Cb 0.34 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3jvo h LEU 64 CO -0.30 0.75 0.09 -0.07 0.09 0.00 0.00 178.44 179.00 3jvo h LEU 65 N 0.85 0.34 -0.34 1.67 3.38 -0.63 -1.88 115.31 118.70 3jvo h LEU 65 Ca 0.19 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3jvo h LEU 65 Cb 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3jvo h LEU 65 CO -0.01 0.42 -0.08 0.58 0.09 0.00 0.00 178.44 179.44 3jvo h VAL 66 N 0.23 1.28 -0.27 1.22 2.07 -1.09 -1.56 116.25 118.12 3jvo h VAL 66 Ca 0.08 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.51 3jvo h VAL 66 Cb 0.19 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3jvo h VAL 66 CO -0.01 0.37 -0.00 0.15 0.02 0.00 0.00 177.57 178.10 3jvo h PHE 67 N 0.43 -0.02 -0.26 1.57 3.57 -1.14 -2.75 116.94 118.34 3jvo h PHE 67 Ca 0.09 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 3jvo h PHE 67 Cb 0.58 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3jvo h PHE 67 CO 0.05 -0.04 -0.34 0.00 -2.23 0.00 0.00 178.31 175.74 3jvo h ALA 68 N 1.23 0.92 0.00 2.41 0.00 -1.12 -2.09 119.26 120.61 3jvo h ALA 68 Ca 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3jvo h ALA 68 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3jvo h ALA 68 CO -0.22 0.62 0.00 -3.47 0.00 0.00 0.00 179.25 176.18 3jvo n ASP 69 N -4.06 0.00 0.00 0.00 2.03 -0.61 -1.15 116.55 112.77 3jvo n ASP 69 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 3jvo n ASP 69 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.70 0.00 0.06 -0.67 7.35 -0.79 -0.82 117.46 123.30 3jvo n PHE 71 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 3jvo n PHE 71 Cb 0.00 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.70 3jvo n PHE 71 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3jvo h GLU 72 N 0.00 0.08 -4.14 -4.13 4.39 -1.42 -3.43 114.58 105.93 3jvo h GLU 72 Ca 0.00 -0.14 -0.64 0.00 0.34 0.00 0.00 59.36 58.91 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 0.98 -0.70 -1.01 -1.16 0.00 0.00 179.01 177.12 3jvo s HIS 73 N -2.67 3.33 -1.82 4.33 3.76 0.00 -4.98 115.29 117.24 3jvo s HIS 73 Ca -0.02 -2.91 0.24 0.00 -0.15 0.00 0.00 55.06 52.21 3jvo s HIS 73 Cb 0.09 -2.74 0.20 0.00 1.11 0.00 0.00 32.58 31.24 3jvo s HIS 73 CO 0.84 -0.88 1.21 0.54 -0.85 0.00 0.00 174.74 175.60 3jvo n ARG 74 N 3.95 0.95 -4.57 1.40 1.74 -1.26 -4.94 116.66 113.93 3jvo n ARG 74 Ca 0.04 -0.73 -0.30 0.00 -0.77 0.00 0.00 57.85 56.09 3jvo n ARG 74 Cb 0.39 -1.48 -0.13 0.00 -1.02 0.00 0.00 32.46 30.21 3jvo n ARG 74 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3jvo s THR 75 N -2.55 2.50 0.27 0.55 -4.23 -1.26 -5.03 115.64 105.88 3jvo s THR 75 Ca 0.19 -1.46 0.35 0.00 -1.18 0.00 0.00 61.69 59.59 3jvo s THR 75 Cb 0.18 -2.07 0.39 0.00 1.34 0.00 0.00 72.50 72.34 3jvo s THR 75 CO 0.59 0.23 2.08 0.00 -0.54 0.00 0.00 174.62 176.98 3jvo h ALA 76 N 4.24 1.02 -3.43 3.99 0.00 -2.06 -3.42 119.26 119.61 3jvo h ALA 76 Ca -0.49 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.03 3jvo h ALA 76 Cb 1.16 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.72 3jvo h ALA 76 CO 0.44 0.03 -0.77 -0.65 0.00 0.00 0.00 179.25 178.30 3jvo s GLN 77 N -3.83 0.74 0.09 0.00 -0.21 -1.26 -5.17 119.66 110.03 3jvo s GLN 77 Ca -0.01 -0.82 0.04 0.00 0.02 0.00 0.00 55.36 54.59 3jvo s GLN 77 Cb 0.10 -0.67 -0.03 0.00 1.00 0.00 0.00 33.01 33.41 3jvo s GLN 77 CO 0.52 0.15 -0.11 -1.54 -2.12 0.00 0.00 175.29 172.19 3jvo s SER 78 N -1.50 1.49 0.42 5.90 1.04 -1.26 -5.02 113.70 114.78 3jvo s SER 78 Ca -0.03 -0.77 0.27 0.00 0.48 0.00 0.00 55.95 55.90 3jvo s SER 78 Cb -0.09 -0.00 0.83 0.00 0.10 0.00 0.00 66.02 66.86 3jvo s SER 78 CO 0.01 -0.23 1.77 -0.33 0.98 0.00 0.00 173.24 175.45 3jvo h GLU 79 N 3.70 0.00 -5.79 4.02 5.08 -2.02 -3.43 114.58 116.14 3jvo h GLU 79 Ca -0.38 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.31 3jvo h GLU 79 Cb 1.19 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.20 3jvo h GLU 79 CO 0.50 0.00 -0.75 0.14 -1.00 0.00 0.00 179.01 177.90 3jvo s VAL 80 N -3.36 3.20 0.34 3.13 -7.23 -1.26 -5.09 120.40 110.13 3jvo s VAL 80 Ca 0.05 -0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 3jvo s VAL 80 Cb 0.08 -2.31 -0.12 0.00 0.56 0.00 0.00 36.38 34.59 3jvo s VAL 80 CO 0.58 0.56 1.48 1.67 -0.31 0.00 0.00 175.10 179.08 3jvo n GLN 81 N 2.91 2.54 -4.26 4.82 -0.06 -1.26 -5.00 117.38 117.08 3jvo n GLN 81 Ca -0.18 0.90 -0.35 0.00 -2.00 0.00 0.00 57.00 55.37 3jvo n GLN 81 Cb 0.53 -2.61 -0.09 0.00 -4.06 0.00 0.00 30.24 24.01 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 -1.32 3.77 -0.10 1.69 1.43 -1.26 -5.10 118.68 117.79 3jvo s LEU 82 Ca 0.57 0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.89 3jvo s LEU 82 Cb -0.51 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 3jvo s LEU 82 CO 0.59 0.38 -0.08 -0.31 0.23 0.00 0.00 176.35 177.16 3jvo s TYR 83 N -0.90 2.90 0.13 0.29 2.02 -1.26 -5.08 117.35 115.45 3jvo s TYR 83 Ca 0.13 -0.20 -0.31 0.00 -0.37 0.00 0.00 57.07 56.32 3jvo s TYR 83 Cb -0.11 -1.78 -0.09 0.00 -0.40 0.00 0.00 41.96 39.57 3jvo s TYR 83 CO 0.03 0.13 1.60 -2.00 -1.57 0.00 0.00 175.55 173.73 3jvo s GLU 84 N -0.31 4.21 -0.52 -0.62 2.12 -1.26 -4.96 118.70 117.37 3jvo s GLU 84 Ca 0.04 2.35 -0.29 0.00 0.36 0.00 0.00 54.97 57.43 3jvo s GLU 84 Cb -0.13 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 30.96 3jvo s GLU 84 CO 0.02 -0.66 1.21 1.21 -0.54 0.00 0.00 175.26 176.51 3jvo s ASN 85 N 1.65 6.49 0.59 -1.70 3.84 -1.26 -4.93 114.94 119.62 3jvo s ASN 85 Ca 0.72 0.36 0.29 0.00 0.21 0.00 0.00 52.86 54.43 3jvo s ASN 85 Cb -0.42 -2.55 1.57 0.00 -0.55 0.00 0.00 41.25 39.30 3jvo s ASN 85 CO 0.32 -1.40 2.01 0.00 -2.79 0.00 0.00 177.10 175.24 3jvo h ALA 86 N 9.66 1.97 -0.75 1.71 0.00 -2.02 -2.59 119.26 127.24 3jvo h ALA 86 Ca -0.24 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.74 3jvo h ALA 86 Cb 1.07 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3jvo h ALA 86 CO 1.15 -0.48 0.49 0.00 0.00 0.00 0.00 179.25 180.41 3jvo h ALA 87 N 1.63 1.79 0.15 0.00 0.00 -1.98 -1.81 119.26 119.03 3jvo h ALA 87 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3jvo h ALA 87 Cb 0.80 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3jvo h ALA 87 CO -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 179.25 179.24 3jvo h ALA 88 N 1.62 -0.20 -0.77 0.00 0.00 -1.85 -3.04 119.26 115.02 3jvo h ALA 88 Ca 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3jvo h ALA 88 Cb 0.42 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3jvo h ALA 88 CO -0.12 -0.49 0.33 1.49 0.00 0.00 0.00 179.25 180.46 3jvo h GLU 89 N -0.45 1.14 -4.87 0.00 4.81 -1.71 -3.43 114.58 110.07 3jvo h GLU 89 Ca -0.02 -0.20 -0.51 0.00 -0.13 0.00 0.00 59.36 58.51 3jvo h GLU 89 Cb 0.36 -0.19 0.04 0.00 0.63 0.00 0.00 28.75 29.59 3jvo h GLU 89 CO 0.03 0.91 1.62 0.54 -0.73 0.00 0.00 179.01 181.39 3jvo n ARG 90 N -4.33 1.10 0.00 1.92 1.74 -0.69 -4.57 116.66 111.84 3jvo n ARG 90 Ca 0.07 -1.81 0.00 0.00 -0.77 0.00 0.00 57.85 55.33 3jvo n ARG 90 Cb 0.17 -3.12 0.00 0.00 -1.02 0.00 0.00 32.46 28.49 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 10.52 0.00 0.31 -1.55 7.35 -1.26 -4.83 117.46 128.00 3jvo n PHE 93 Ca 0.47 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 57.35 3jvo n PHE 93 Cb 0.43 0.00 0.97 0.00 0.35 0.00 0.00 39.48 41.23 3jvo n PHE 93 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 3jvo h ILE 94 N 0.00 0.18 0.00 -2.13 6.09 -1.98 -2.90 117.51 116.77 3jvo h ILE 94 Ca 0.00 -0.23 -0.02 0.00 -1.37 0.00 0.00 64.86 63.24 3jvo h ILE 94 Cb 0.00 1.19 -0.04 0.00 0.47 0.00 0.00 36.82 38.44 3jvo h ILE 94 CO 0.00 0.03 -0.32 1.41 -3.07 0.00 0.00 178.15 176.19 3jvo n HIS 95 N -3.29 0.00 -2.21 2.19 8.25 -1.26 -5.06 115.22 113.84 3jvo n HIS 95 Ca -0.02 -1.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.06 3jvo n HIS 95 Cb 0.16 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 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 -2.38 3.96 0.00 -0.41 6.06 -1.10 -4.87 118.95 120.20 3jvo s ARG 96 Ca 0.30 1.92 0.20 0.00 -2.50 0.00 0.00 55.73 55.66 3jvo s ARG 96 Cb 0.29 -2.64 1.20 0.00 0.06 0.00 0.00 34.95 33.85 3jvo s ARG 96 CO -0.03 -0.43 1.59 -1.71 -2.50 0.00 0.00 175.30 172.23