#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dvt s LYS 5 N 0.00 4.16 -0.10 2.89 2.20 -1.26 -4.58 119.74 123.04 3dvt s LYS 5 Ca 0.00 0.64 -0.25 0.00 -0.36 0.00 0.00 55.97 56.00 3dvt s LYS 5 Cb 0.00 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 3dvt s LYS 5 CO 0.00 -0.38 0.79 0.00 -0.36 0.00 0.00 175.35 175.41 3dvt s ALA 6 N 2.38 3.39 -0.13 3.13 0.00 -1.26 -0.22 121.76 129.04 3dvt s ALA 6 Ca 0.29 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 3dvt s ALA 6 Cb -0.16 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 19.88 3dvt s ALA 6 CO 0.09 -0.36 -0.01 0.08 0.00 0.00 0.00 175.76 175.56 3dvt s VAL 7 N 1.43 0.66 -0.14 0.00 1.01 -0.14 -5.01 120.40 118.21 3dvt s VAL 7 Ca 0.40 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 3dvt s VAL 7 Cb -0.18 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3dvt s VAL 7 CO 0.17 0.10 0.47 -0.63 0.00 0.00 0.00 175.10 175.21 3dvt s ILE 8 N 1.83 5.18 -0.21 2.22 1.01 -1.26 -1.04 121.20 128.93 3dvt s ILE 8 Ca 0.02 0.92 0.04 0.00 0.00 0.00 0.00 60.65 61.64 3dvt s ILE 8 Cb -0.14 -3.81 -0.15 0.00 0.01 0.00 0.00 42.46 38.36 3dvt s ILE 8 CO -0.07 0.30 -0.14 0.29 0.00 0.00 0.00 174.94 175.32 3dvt n LYS 9 N 3.90 0.67 -3.67 2.79 4.76 -0.49 -4.96 118.16 121.16 3dvt n LYS 9 Ca -0.07 0.10 -0.08 0.00 -2.87 0.00 0.00 58.31 55.39 3dvt n LYS 9 Cb 0.51 -1.43 -0.09 0.00 -1.84 0.00 0.00 35.03 32.19 3dvt n LYS 9 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3dvt s ASN 10 N -5.89 -0.72 -0.04 4.39 0.01 -0.75 -5.01 114.94 106.93 3dvt s ASN 10 Ca -0.25 1.20 -0.07 0.00 -0.71 0.00 0.00 52.86 53.04 3dvt s ASN 10 Cb 0.07 1.17 0.01 0.00 0.41 0.00 0.00 41.25 42.91 3dvt s ASN 10 CO 0.53 -0.22 0.16 0.00 -1.51 0.00 0.00 177.10 176.07 3dvt s ALA 11 N 1.69 -0.40 0.00 0.60 0.00 -1.26 -0.01 121.76 122.38 3dvt s ALA 11 Ca -0.09 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3dvt s ALA 11 Cb -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3dvt s ALA 11 CO -0.16 -0.13 0.79 -3.47 0.00 0.00 0.00 175.76 172.79 3dvt n ASP 12 N 2.42 1.52 -4.84 0.00 2.03 0.17 -4.99 116.55 112.86 3dvt n ASP 12 Ca -0.16 -1.62 -0.21 0.00 0.52 0.00 0.00 54.79 53.32 3dvt n ASP 12 Cb 0.58 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.94 3dvt n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dvt s MET 13 N -0.62 2.81 0.79 -0.67 0.23 -1.21 -3.23 119.30 117.40 3dvt s MET 13 Ca 0.00 -1.19 -0.15 0.00 -1.03 0.00 0.00 55.69 53.32 3dvt s MET 13 Cb 0.00 -2.51 -0.00 0.00 -1.53 0.00 0.00 34.83 30.78 3dvt s MET 13 CO 0.00 0.23 0.61 -1.13 -2.03 0.00 0.00 175.02 172.69 3dvt n SER 14 N -1.29 -1.04 0.23 -1.18 3.41 -1.26 -4.65 113.62 107.84 3dvt n SER 14 Ca -0.04 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 3dvt n SER 14 Cb 0.59 -1.26 0.47 0.00 -0.26 0.00 0.00 64.21 63.75 3dvt n SER 14 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3dvt h GLU 15 N -0.70 0.00 0.02 4.33 4.81 -1.98 0.15 114.58 121.20 3dvt h GLU 15 Ca -0.45 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3dvt h GLU 15 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3dvt h GLU 15 CO 0.41 0.16 -0.01 1.49 -0.73 0.00 0.00 179.01 180.33 3dvt h GLU 16 N 0.00 -0.02 -0.19 1.92 4.81 -1.99 -1.60 114.58 117.51 3dvt h GLU 16 Ca -0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3dvt h GLU 16 Cb 0.74 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3dvt h GLU 16 CO 0.02 0.52 -0.28 1.98 -0.73 0.00 0.00 179.01 180.53 3dvt h MET 17 N -0.58 0.36 -0.22 1.92 4.05 -1.83 -0.43 114.93 118.20 3dvt h MET 17 Ca -0.00 -0.14 0.04 0.00 -0.28 0.00 0.00 59.70 59.32 3dvt h MET 17 Cb 0.56 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.30 3dvt h MET 17 CO 0.00 0.61 -0.02 1.96 0.23 0.00 0.00 176.91 179.70 3dvt h GLN 18 N 0.32 0.04 -0.41 0.39 4.20 -0.76 0.75 115.11 119.64 3dvt h GLN 18 Ca 0.05 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3dvt h GLN 18 Cb 0.66 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3dvt h GLN 18 CO 0.05 0.03 0.02 0.37 -0.67 0.00 0.00 178.83 178.62 3dvt h GLN 19 N 0.04 0.65 -0.18 1.46 5.75 -0.61 -1.27 115.11 120.95 3dvt h GLN 19 Ca 0.10 -0.15 -0.10 0.00 -0.15 0.00 0.00 58.65 58.36 3dvt h GLN 19 Cb 0.14 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3dvt h GLN 19 CO -0.20 0.66 -0.31 0.22 -2.65 0.00 0.00 178.83 176.55 3dvt h ASP 20 N 0.62 0.35 0.07 -0.69 1.82 -0.81 -0.82 116.42 116.95 3dvt h ASP 20 Ca 0.13 -0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3dvt h ASP 20 Cb 0.36 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.28 3dvt h ASP 20 CO 0.01 0.65 -0.03 0.00 -1.61 0.00 0.00 179.24 178.26 3dvt h ALA 21 N 1.38 -0.09 0.15 -0.78 0.00 -0.00 -0.68 119.26 119.23 3dvt h ALA 21 Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dvt h ALA 21 Cb 0.70 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3dvt h ALA 21 CO 0.05 -0.51 -0.21 0.28 0.00 0.00 0.00 179.25 178.86 3dvt h VAL 22 N -0.16 0.54 -0.50 0.00 2.07 -1.12 -0.12 116.25 116.95 3dvt h VAL 22 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 3dvt h VAL 22 Cb 0.14 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 3dvt h VAL 22 CO 0.02 0.00 0.02 0.44 0.02 0.00 0.00 177.57 178.06 3dvt h ASP 23 N -0.41 -0.17 -0.67 0.57 3.32 -1.14 -1.35 116.42 116.57 3dvt h ASP 23 Ca 0.02 0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3dvt h ASP 23 Cb 0.42 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 3dvt h ASP 23 CO -0.09 -0.06 0.16 0.00 -1.72 0.00 0.00 179.24 177.53 3dvt h ALA 25 N 1.07 1.17 -0.25 0.00 0.00 -0.59 -0.32 119.26 120.33 3dvt h ALA 25 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3dvt h ALA 25 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3dvt h ALA 25 CO 0.00 0.57 0.09 1.15 0.00 0.00 0.00 179.25 181.06 3dvt h THR 26 N 0.86 1.18 -0.54 0.00 2.02 -1.08 0.78 112.91 116.12 3dvt h THR 26 Ca 0.19 -0.57 0.07 0.00 0.77 0.00 0.00 66.41 66.86 3dvt h THR 26 Cb 0.31 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 3dvt h THR 26 CO -0.00 0.19 0.23 -0.61 0.37 0.00 0.00 175.52 175.70 3dvt h GLN 27 N 0.25 0.43 -0.22 6.66 5.75 -1.17 -1.18 115.11 125.62 3dvt h GLN 27 Ca 0.08 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 3dvt h GLN 27 Cb 0.21 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 3dvt h GLN 27 CO -0.00 0.28 -0.04 0.00 -2.65 0.00 0.00 178.83 176.42 3dvt h ALA 28 N 1.34 0.16 0.00 3.38 0.00 -0.57 -2.56 119.26 121.00 3dvt h ALA 28 Ca 0.26 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 3dvt h ALA 28 Cb 0.24 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3dvt h ALA 28 CO -0.23 -0.46 -0.42 -0.07 0.00 0.00 0.00 179.25 178.07 3dvt h LEU 29 N 0.01 0.00 -0.90 0.00 3.38 -0.63 0.69 115.31 117.86 3dvt h LEU 29 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3dvt h LEU 29 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3dvt h LEU 29 CO -0.22 0.42 -0.24 -0.33 0.09 0.00 0.00 178.44 178.16 3dvt h GLU 30 N 0.00 0.52 0.00 1.13 5.08 -1.14 -3.32 114.58 116.85 3dvt h GLU 30 Ca -0.00 -0.20 -0.29 0.00 -1.00 0.00 0.00 59.36 57.87 3dvt h GLU 30 Cb 0.82 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 3dvt h GLU 30 CO 0.05 0.73 -1.79 1.17 -1.00 0.00 0.00 179.01 178.17 3dvt n LYS 31 N -4.12 0.64 -4.17 2.33 4.81 -0.97 -4.98 118.16 111.69 3dvt n LYS 31 Ca -0.00 0.23 -0.17 0.00 -0.87 0.00 0.00 58.31 57.51 3dvt n LYS 31 Cb 0.41 -1.75 -0.12 0.00 0.02 0.00 0.00 35.03 33.59 3dvt n LYS 31 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3dvt s TYR 32 N -2.62 0.95 -0.03 5.64 2.02 0.20 -5.04 117.35 118.47 3dvt s TYR 32 Ca -0.05 -0.41 0.16 0.00 -0.37 0.00 0.00 57.07 56.39 3dvt s TYR 32 Cb 0.08 -0.56 -0.24 0.00 -0.40 0.00 0.00 41.96 40.84 3dvt s TYR 32 CO 0.83 -0.01 0.32 0.09 -1.57 0.00 0.00 175.55 175.21 3dvt n ASN 33 N 1.66 1.41 -4.76 2.29 3.02 -1.26 -4.41 115.26 113.22 3dvt n ASN 33 Ca -0.20 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 53.97 3dvt n ASN 33 Cb 0.55 1.65 -0.06 0.00 -0.61 0.00 0.00 39.78 41.31 3dvt n ASN 33 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dvt s ILE 34 N -3.03 5.20 0.19 2.41 1.01 -1.26 -4.98 121.20 120.73 3dvt s ILE 34 Ca -0.06 0.76 -0.12 0.00 0.00 0.00 0.00 60.65 61.23 3dvt s ILE 34 Cb 0.10 -3.71 0.10 0.00 0.01 0.00 0.00 42.46 38.96 3dvt s ILE 34 CO 0.65 0.42 1.75 -0.33 0.00 0.00 0.00 174.94 177.42 3dvt h GLU 35 N 6.17 0.36 -0.01 2.79 3.07 -1.94 -0.29 114.58 124.73 3dvt h GLU 35 Ca -0.44 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.31 3dvt h GLU 35 Cb 1.18 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 3dvt h GLU 35 CO 0.72 0.24 -0.39 -0.22 -1.40 0.00 0.00 179.01 177.96 3dvt h LYS 36 N 0.37 0.01 0.21 2.33 3.64 -1.95 -0.67 116.57 120.52 3dvt h LYS 36 Ca 0.26 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3dvt h LYS 36 Cb 0.28 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3dvt h LYS 36 CO -0.26 0.40 -0.10 -0.44 -2.27 0.00 0.00 179.45 176.79 3dvt h ASP 37 N 0.01 -0.24 -0.56 4.20 3.32 -1.78 -1.36 116.42 120.02 3dvt h ASP 37 Ca -0.00 -0.28 0.11 0.00 0.02 0.00 0.00 57.03 56.88 3dvt h ASP 37 Cb 0.70 0.06 -0.11 0.00 0.22 0.00 0.00 39.33 40.20 3dvt h ASP 37 CO 0.05 0.22 -0.12 0.40 -1.72 0.00 0.00 179.24 178.07 3dvt h ILE 38 N -0.77 0.45 -0.72 0.35 2.04 -0.94 -0.94 117.51 116.99 3dvt h ILE 38 Ca -0.03 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3dvt h ILE 38 Cb 0.51 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3dvt h ILE 38 CO 0.05 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.53 3dvt h ALA 39 N 1.55 0.93 -0.42 1.87 0.00 -1.15 -2.50 119.26 119.54 3dvt h ALA 39 Ca 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3dvt h ALA 39 Cb 0.42 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dvt h ALA 39 CO -0.56 0.51 0.23 0.00 0.00 0.00 0.00 179.25 179.43 3dvt h ALA 40 N 1.16 0.54 -0.41 0.00 0.00 -0.55 -0.25 119.26 119.75 3dvt h ALA 40 Ca 0.24 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3dvt h ALA 40 Cb 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3dvt h ALA 40 CO -0.03 0.06 0.17 -0.92 0.00 0.00 0.00 179.25 178.53 3dvt h TYR 41 N 0.55 0.31 0.25 0.00 3.20 -0.96 -0.51 116.97 119.81 3dvt h TYR 41 Ca 0.15 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3dvt h TYR 41 Cb 0.05 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3dvt h TYR 41 CO -0.02 0.14 -0.12 0.82 -1.64 0.00 0.00 178.16 177.33 3dvt h ILE 42 N 0.35 0.80 -0.54 1.81 2.04 -1.33 -2.10 117.51 118.54 3dvt h ILE 42 Ca 0.19 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.57 3dvt h ILE 42 Cb 0.14 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 3dvt h ILE 42 CO -0.17 0.12 0.16 0.50 0.00 0.00 0.00 178.15 178.76 3dvt h LYS 43 N -0.64 0.31 -0.32 2.37 3.11 -1.00 -0.93 116.57 119.48 3dvt h LYS 43 Ca -0.03 -0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 57.64 3dvt h LYS 43 Cb 0.46 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.61 3dvt h LYS 43 CO 0.06 0.21 -0.41 0.87 -2.81 0.00 0.00 179.45 177.37 3dvt h LYS 44 N 0.32 0.77 -0.50 1.90 1.57 -1.09 -0.17 116.57 119.37 3dvt h LYS 44 Ca 0.27 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3dvt h LYS 44 Cb 0.34 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3dvt h LYS 44 CO -0.31 1.03 0.17 1.49 -0.57 0.00 0.00 179.45 181.27 3dvt h GLU 45 N 0.63 0.74 0.00 3.15 4.81 -1.01 0.17 114.58 123.06 3dvt h GLU 45 Ca 0.05 -0.12 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 3dvt h GLU 45 Cb 0.96 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 3dvt h GLU 45 CO 0.09 0.63 -0.84 0.74 -0.73 0.00 0.00 179.01 178.90 3dvt h PHE 46 N 0.72 0.00 -0.43 0.92 -1.00 -0.90 -0.21 116.94 116.05 3dvt h PHE 46 Ca 0.17 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.87 3dvt h PHE 46 Cb 0.19 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 3dvt h PHE 46 CO 0.01 0.84 -0.05 -0.44 -1.61 0.00 0.00 178.31 177.06 3dvt h ASP 47 N 0.00 0.80 -0.22 2.17 5.19 -0.71 -0.96 116.42 122.70 3dvt h ASP 47 Ca -0.01 -0.34 -0.16 0.00 -0.62 0.00 0.00 57.03 55.91 3dvt h ASP 47 Cb 1.57 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.87 3dvt h ASP 47 CO 0.11 0.95 -0.48 0.50 -3.12 0.00 0.00 179.24 177.20 3dvt h LYS 48 N 0.63 0.70 0.15 3.56 3.64 -0.95 -0.19 116.57 124.12 3dvt h LYS 48 Ca 0.12 -0.47 -0.33 0.00 -1.27 0.00 0.00 60.65 58.70 3dvt h LYS 48 Cb 0.57 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3dvt h LYS 48 CO 0.03 1.09 -1.63 -0.22 -2.27 0.00 0.00 179.45 176.45 3dvt h LYS 49 N 0.41 0.32 0.00 1.90 3.64 -1.05 -3.39 116.57 118.41 3dvt h LYS 49 Ca 0.00 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3dvt h LYS 49 Cb 1.09 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3dvt h LYS 49 CO 0.10 1.20 -0.01 0.66 -2.27 0.00 0.00 179.45 179.14 3dvt n TYR 50 N -3.51 0.00 -0.55 1.91 4.02 -0.37 -5.07 117.16 113.59 3dvt n TYR 50 Ca -0.20 -0.56 0.00 0.00 -0.01 0.00 0.00 57.90 57.14 3dvt n TYR 50 Cb 1.06 -0.07 -0.00 0.00 -0.02 0.00 0.00 39.34 40.31 3dvt n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3dvt n ASN 51 N -0.64 -2.94 -4.69 7.72 5.03 -0.09 -4.94 115.26 114.70 3dvt n ASN 51 Ca 0.03 0.65 -0.30 0.00 0.87 0.00 0.00 54.58 55.83 3dvt n ASN 51 Cb 0.35 -1.15 0.15 0.00 -1.02 0.00 0.00 39.78 38.11 3dvt n ASN 51 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 3dvt s PRO 52 N -4.44 1.05 -0.16 3.52 0.02 -1.16 -4.47 135.00 129.36 3dvt s PRO 52 Ca 0.00 0.94 -0.03 0.00 0.02 0.00 0.00 61.00 61.93 3dvt s PRO 52 Cb 0.00 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 3dvt s PRO 52 CO 0.00 -2.42 -0.05 0.99 -0.33 0.00 0.00 177.00 175.20 3dvt s THR 53 N -2.84 3.79 0.22 0.99 2.01 -1.26 -5.07 115.64 113.49 3dvt s THR 53 Ca 0.64 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.32 3dvt s THR 53 Cb -0.19 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 3dvt s THR 53 CO 0.58 0.49 0.13 0.26 -0.69 0.00 0.00 174.62 175.39 3dvt s TRP 54 N 0.41 3.03 -0.00 4.92 0.52 -1.26 -4.34 118.94 122.22 3dvt s TRP 54 Ca -0.04 -0.11 0.01 0.00 0.02 0.00 0.00 56.10 55.98 3dvt s TRP 54 Cb -0.14 -1.39 -0.00 0.00 -1.15 0.00 0.00 33.47 30.78 3dvt s TRP 54 CO 0.03 0.54 -0.03 -1.01 0.02 0.00 0.00 176.95 176.50 3dvt s HIS 55 N -2.03 0.25 -0.02 -1.98 3.76 0.74 -4.98 115.29 111.02 3dvt s HIS 55 Ca 0.32 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 55.18 3dvt s HIS 55 Cb -0.08 -0.16 0.01 0.00 1.11 0.00 0.00 32.58 33.46 3dvt s HIS 55 CO 0.23 -0.01 -0.06 0.00 -0.85 0.00 0.00 174.74 174.06 3dvt s ILE 57 N 0.38 2.73 -0.06 0.00 -1.09 0.97 -4.85 121.20 119.27 3dvt s ILE 57 Ca -0.05 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 57.59 3dvt s ILE 57 Cb -0.09 -2.09 0.02 0.00 -1.58 0.00 0.00 42.46 38.72 3dvt s ILE 57 CO 0.00 0.55 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.48 3dvt s VAL 58 N 0.04 0.89 -0.10 2.92 1.01 -1.26 -1.42 120.40 122.48 3dvt s VAL 58 Ca -0.06 -0.32 -0.33 0.00 0.00 0.00 0.00 61.98 61.27 3dvt s VAL 58 Cb -0.15 -0.85 0.15 0.00 0.00 0.00 0.00 36.38 35.52 3dvt s VAL 58 CO 0.05 0.31 1.44 -0.83 0.00 0.00 0.00 175.10 176.06 3dvt s GLY 59 N 0.89 -0.49 0.18 4.51 0.00 -0.80 -4.81 107.32 106.79 3dvt s GLY 59 Ca -0.11 0.93 0.20 0.00 0.00 0.00 0.00 44.72 45.74 3dvt s GLY 59 CO 0.01 0.48 1.03 3.21 0.00 0.00 0.00 173.10 177.83 3dvt h ARG 60 N 2.00 0.00 -2.74 2.90 -0.00 -1.86 0.17 114.38 114.85 3dvt h ARG 60 Ca -0.33 0.00 -0.29 0.00 -0.50 0.00 0.00 59.98 58.86 3dvt h ARG 60 Cb 1.19 0.00 -0.35 0.00 0.00 0.00 0.00 29.97 30.81 3dvt h ARG 60 CO 0.30 0.11 -0.61 -0.80 0.00 0.00 0.00 179.97 178.97 3dvt s ASN 61 N -5.60 1.01 -0.10 7.04 0.01 -1.26 -4.84 114.94 111.20 3dvt s ASN 61 Ca -0.01 0.09 -0.31 0.00 -0.71 0.00 0.00 52.86 51.92 3dvt s ASN 61 Cb 0.09 0.42 0.12 0.00 0.41 0.00 0.00 41.25 42.29 3dvt s ASN 61 CO 0.79 -0.29 1.03 0.72 -1.51 0.00 0.00 177.10 177.84 3dvt s PHE 62 N 2.34 -0.26 0.27 2.20 -0.12 -1.26 -5.15 117.98 116.00 3dvt s PHE 62 Ca 0.05 0.19 0.06 0.00 -0.05 0.00 0.00 56.93 57.18 3dvt s PHE 62 Cb -0.14 0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 42.71 3dvt s PHE 62 CO -0.10 -0.38 -0.03 0.20 -0.05 0.00 0.00 175.22 174.86 3dvt s GLY 63 N -2.21 1.78 0.06 1.99 0.00 -1.26 -5.13 107.32 102.55 3dvt s GLY 63 Ca 0.06 -1.88 -0.06 0.00 0.00 0.00 0.00 44.72 42.84 3dvt s GLY 63 CO -0.06 -1.79 0.11 -1.35 0.00 0.00 0.00 173.10 170.00 3dvt s SER 64 N -3.41 0.22 -0.28 1.64 1.04 -1.26 -5.11 113.70 106.54 3dvt s SER 64 Ca 0.30 -0.68 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 3dvt s SER 64 Cb 0.05 0.27 0.12 0.00 0.10 0.00 0.00 66.02 66.55 3dvt s SER 64 CO 0.11 -0.62 0.22 -0.47 0.98 0.00 0.00 173.24 173.47 3dvt s TYR 65 N -3.41 -0.13 0.21 5.02 5.04 -1.26 -5.16 117.35 117.66 3dvt s TYR 65 Ca 0.02 -0.44 0.09 0.00 -2.44 0.00 0.00 57.07 54.30 3dvt s TYR 65 Cb 0.03 -0.64 -0.05 0.00 0.35 0.00 0.00 41.96 41.66 3dvt s TYR 65 CO -0.08 -0.86 -0.17 0.14 -1.34 0.00 0.00 175.55 173.23 3dvt s VAL 66 N 2.25 1.94 -0.43 3.14 -7.23 -1.26 -5.11 120.40 113.70 3dvt s VAL 66 Ca 0.09 -2.14 -0.16 0.00 -1.81 0.00 0.00 61.98 57.96 3dvt s VAL 66 Cb -0.15 -2.03 0.03 0.00 0.56 0.00 0.00 36.38 34.79 3dvt s VAL 66 CO -0.33 -0.44 0.35 -0.89 -0.31 0.00 0.00 175.10 173.48 3dvt s THR 67 N -2.50 5.21 0.18 5.32 2.01 -1.26 -5.08 115.64 119.52 3dvt s THR 67 Ca 0.22 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.60 3dvt s THR 67 Cb -0.04 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3dvt s THR 67 CO 0.08 -0.39 0.10 -1.38 -0.69 0.00 0.00 174.62 172.35 3dvt s HIS 68 N 1.78 3.05 0.27 4.92 -3.43 -1.26 -0.94 115.29 119.68 3dvt s HIS 68 Ca 0.06 -0.07 -0.29 0.00 -0.80 0.00 0.00 55.06 53.96 3dvt s HIS 68 Cb -0.20 -1.45 -0.09 0.00 -1.43 0.00 0.00 32.58 29.41 3dvt s HIS 68 CO 0.10 0.52 1.20 -2.00 -2.00 0.00 0.00 174.74 172.56 3dvt s GLU 69 N -3.19 4.50 0.24 -0.38 2.12 0.22 -4.02 118.70 118.19 3dvt s GLU 69 Ca 0.30 1.97 -0.31 0.00 0.36 0.00 0.00 54.97 57.29 3dvt s GLU 69 Cb -0.09 -3.16 -0.11 0.00 0.26 0.00 0.00 34.13 31.02 3dvt s GLU 69 CO 0.22 -0.00 1.65 -0.08 -0.54 0.00 0.00 175.26 176.51 3dvt s THR 70 N -0.87 2.12 0.00 -1.70 -1.32 -1.26 -1.74 115.64 110.87 3dvt s THR 70 Ca 0.48 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.05 3dvt s THR 70 Cb -0.35 -3.06 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 3dvt s THR 70 CO 0.44 0.01 0.00 0.54 -2.21 0.00 0.00 174.62 173.40 3dvt n ARG 71 N 3.27 -0.06 -2.85 7.08 5.12 -1.20 -4.93 116.66 123.10 3dvt n ARG 71 Ca 0.13 0.01 -0.22 0.00 -1.93 0.00 0.00 57.85 55.84 3dvt n ARG 71 Cb 0.36 -2.85 -0.02 0.00 -1.16 0.00 0.00 32.46 28.79 3dvt n ARG 71 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3dvt n HIS 72 N -2.42 2.62 -3.68 -1.55 8.25 -0.71 -4.00 115.22 113.72 3dvt n HIS 72 Ca 0.00 -3.58 -0.10 0.00 -0.26 0.00 0.00 57.72 53.78 3dvt n HIS 72 Cb 0.01 -0.36 -0.10 0.00 1.12 0.00 0.00 29.99 30.66 3dvt n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3dvt s PHE 73 N -3.20 -0.66 0.00 4.41 2.19 -1.26 -1.45 117.98 118.01 3dvt s PHE 73 Ca 0.44 1.35 -0.01 0.00 0.33 0.00 0.00 56.93 59.04 3dvt s PHE 73 Cb 0.35 0.27 -0.01 0.00 -1.31 0.00 0.00 43.02 42.33 3dvt s PHE 73 CO -0.11 -0.38 0.01 -1.50 1.83 0.00 0.00 175.22 175.06 3dvt s ILE 74 N 1.75 0.06 -0.15 3.12 2.07 -0.35 0.43 121.20 128.12 3dvt s ILE 74 Ca -0.07 -0.46 -0.01 0.00 -1.41 0.00 0.00 60.65 58.69 3dvt s ILE 74 Cb -0.09 -0.17 0.04 0.00 0.13 0.00 0.00 42.46 42.37 3dvt s ILE 74 CO -0.13 -0.25 -0.02 -0.47 -1.91 0.00 0.00 174.94 172.16 3dvt s TYR 75 N -0.76 1.27 0.05 3.50 5.04 0.98 -1.23 117.35 126.20 3dvt s TYR 75 Ca -0.08 -0.79 -0.17 0.00 -2.44 0.00 0.00 57.07 53.58 3dvt s TYR 75 Cb -0.05 -1.12 0.03 0.00 0.35 0.00 0.00 41.96 41.18 3dvt s TYR 75 CO -0.00 -0.54 0.39 -0.59 -1.34 0.00 0.00 175.55 173.47 3dvt s PHE 76 N 1.78 -0.24 -0.04 4.97 -0.71 0.14 -1.39 117.98 122.49 3dvt s PHE 76 Ca 0.02 0.17 -0.04 0.00 -1.04 0.00 0.00 56.93 56.04 3dvt s PHE 76 Cb -0.15 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 3dvt s PHE 76 CO -0.07 -0.56 0.17 0.71 -1.34 0.00 0.00 175.22 174.13 3dvt s TYR 77 N -2.51 3.56 -0.30 3.49 1.51 -0.21 0.15 117.35 123.03 3dvt s TYR 77 Ca -0.05 0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 56.40 3dvt s TYR 77 Cb -0.01 -1.86 0.10 0.00 -0.11 0.00 0.00 41.96 40.08 3dvt s TYR 77 CO -0.03 0.67 0.10 -1.17 -1.11 0.00 0.00 175.55 174.02 3dvt s LEU 78 N -1.71 1.80 0.00 -1.29 2.96 0.51 -0.97 118.68 119.98 3dvt s LEU 78 Ca 0.24 -1.54 0.00 0.00 -0.22 0.00 0.00 54.13 52.61 3dvt s LEU 78 Cb -0.12 -0.73 0.00 0.00 0.50 0.00 0.00 46.19 45.83 3dvt s LEU 78 CO 0.15 -0.42 0.00 0.61 -1.32 0.00 0.00 176.35 175.37 3dvt n GLY 79 N 4.95 3.36 0.12 7.98 0.00 0.69 -2.89 105.19 119.41 3dvt n GLY 79 Ca -0.03 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.95 3dvt n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dvt n GLN 80 N 13.25 1.19 -2.77 1.61 6.02 -1.26 -4.78 117.38 130.64 3dvt n GLN 80 Ca 0.00 -0.25 -0.40 0.00 -0.01 0.00 0.00 57.00 56.34 3dvt n GLN 80 Cb 0.00 -1.35 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 3dvt n GLN 80 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3dvt s VAL 81 N -2.54 4.19 -0.03 5.09 1.01 -1.14 -4.66 120.40 122.32 3dvt s VAL 81 Ca 0.09 2.05 -0.05 0.00 0.00 0.00 0.00 61.98 64.07 3dvt s VAL 81 Cb 0.14 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3dvt s VAL 81 CO 0.66 0.46 0.20 0.00 0.00 0.00 0.00 175.10 176.43 3dvt s ALA 82 N -0.93 3.91 -0.09 5.51 0.00 0.05 -0.37 121.76 129.84 3dvt s ALA 82 Ca 0.42 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3dvt s ALA 82 Cb -0.25 -1.96 0.02 0.00 0.00 0.00 0.00 23.12 20.93 3dvt s ALA 82 CO 0.31 0.69 -0.07 0.42 0.00 0.00 0.00 175.76 177.11 3dvt s ILE 83 N -1.24 0.88 -0.21 0.00 1.01 0.39 -1.90 121.20 120.13 3dvt s ILE 83 Ca 0.24 -0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 3dvt s ILE 83 Cb -0.13 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 3dvt s ILE 83 CO 0.14 0.33 0.08 -0.22 0.00 0.00 0.00 174.94 175.28 3dvt s LEU 84 N 1.49 3.78 -0.05 2.97 2.96 -0.51 -0.69 118.68 128.65 3dvt s LEU 84 Ca -0.00 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.91 3dvt s LEU 84 Cb -0.13 -1.98 0.03 0.00 0.50 0.00 0.00 46.19 44.61 3dvt s LEU 84 CO -0.05 0.11 0.05 -0.22 -1.32 0.00 0.00 176.35 174.92 3dvt s LEU 85 N 0.77 0.23 0.17 -0.68 2.96 -0.37 -0.02 118.68 121.74 3dvt s LEU 85 Ca 0.04 0.05 -0.17 0.00 -0.22 0.00 0.00 54.13 53.83 3dvt s LEU 85 Cb -0.13 -0.20 0.03 0.00 0.50 0.00 0.00 46.19 46.39 3dvt s LEU 85 CO 0.02 -0.24 0.47 0.72 -1.32 0.00 0.00 176.35 176.00 3dvt s PHE 86 N 2.13 -0.13 -0.05 5.38 -0.71 -0.38 -1.21 117.98 123.00 3dvt s PHE 86 Ca 0.05 -0.20 -0.02 0.00 -1.04 0.00 0.00 56.93 55.72 3dvt s PHE 86 Cb -0.12 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 3dvt s PHE 86 CO -0.03 -0.83 0.06 0.15 -1.34 0.00 0.00 175.22 173.23 3dvt s LYS 87 N -3.85 3.08 0.55 1.99 1.02 -0.53 -0.19 119.74 121.81 3dvt s LYS 87 Ca 0.07 -0.41 -0.19 0.00 0.02 0.00 0.00 55.97 55.47 3dvt s LYS 87 Cb 0.00 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 3dvt s LYS 87 CO -0.06 0.69 1.13 0.45 -0.92 0.00 0.00 175.35 176.63 3dvt s SER 88 N -1.30 5.69 0.00 2.83 0.15 -1.26 0.72 113.70 120.54 3dvt s SER 88 Ca 0.18 2.16 0.31 0.00 0.70 0.00 0.00 55.95 59.30 3dvt s SER 88 Cb -0.12 -2.58 1.77 0.00 -1.71 0.00 0.00 66.02 63.39 3dvt s SER 88 CO 0.08 -1.24 2.15 0.61 1.20 0.00 0.00 173.24 176.04