#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5v s LEU 2 N 0.00 2.84 0.16 -0.89 1.43 -1.26 -5.13 118.68 115.84 1d5v s LEU 2 Ca 0.00 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 1d5v s LEU 2 Cb 0.00 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 1d5v s LEU 2 CO 0.00 0.34 -0.11 0.68 0.23 0.00 0.00 176.35 177.48 1d5v s VAL 3 N -0.69 1.35 0.57 -1.59 -7.23 -1.26 -5.11 120.40 106.44 1d5v s VAL 3 Ca 0.10 -2.11 -0.19 0.00 -1.81 0.00 0.00 61.98 57.97 1d5v s VAL 3 Cb -0.11 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 1d5v s VAL 3 CO 0.01 -0.70 1.19 -0.54 -0.31 0.00 0.00 175.10 174.75 1d5v s LYS 4 N -3.72 3.14 0.68 4.82 1.02 -1.26 -5.00 119.74 119.42 1d5v s LYS 4 Ca 0.18 1.77 -0.11 0.00 0.02 0.00 0.00 55.97 57.83 1d5v s LYS 4 Cb 0.02 -1.98 -0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1d5v s LYS 4 CO 0.02 -1.06 1.05 -1.25 -0.92 0.00 0.00 175.35 173.20 1d5v s PRO 5 N -3.27 3.09 0.00 -1.68 0.04 -1.26 -4.94 135.00 126.98 1d5v s PRO 5 Ca 0.75 0.84 0.12 0.00 0.04 0.00 0.00 61.00 62.75 1d5v s PRO 5 Cb -0.29 -2.02 0.71 0.00 0.04 0.00 0.00 34.50 32.95 1d5v s PRO 5 CO 0.31 -0.96 1.22 -0.35 0.04 0.00 0.00 177.00 177.26 1d5v n PRO 6 N -3.02 0.66 -2.85 0.56 -0.04 -1.26 -4.80 135.00 124.26 1d5v n PRO 6 Ca 0.07 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 1d5v n PRO 6 Cb 0.54 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.67 1d5v n PRO 6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1d5v s TYR 7 N -2.00 3.82 0.80 0.54 2.02 -1.26 -5.03 117.35 116.24 1d5v s TYR 7 Ca 0.18 1.68 -0.11 0.00 -0.37 0.00 0.00 57.07 58.45 1d5v s TYR 7 Cb 0.08 -2.93 0.07 0.00 -0.40 0.00 0.00 41.96 38.79 1d5v s TYR 7 CO 0.14 0.30 1.09 0.45 -1.57 0.00 0.00 175.55 175.95 1d5v s SER 8 N -0.30 4.33 0.25 2.29 0.15 -1.26 -4.77 113.70 114.39 1d5v s SER 8 Ca 0.42 1.58 -0.05 0.00 0.70 0.00 0.00 55.95 58.59 1d5v s SER 8 Cb -0.23 -2.31 0.29 0.00 -1.71 0.00 0.00 66.02 62.06 1d5v s SER 8 CO 0.27 -2.11 1.93 1.88 1.20 0.00 0.00 173.24 176.41 1d5v h TYR 9 N -1.18 1.25 -0.66 3.44 0.05 -1.97 -0.93 116.97 116.96 1d5v h TYR 9 Ca -0.46 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.26 1d5v h TYR 9 Cb 1.25 -0.42 -0.03 0.00 1.01 0.00 0.00 36.73 38.54 1d5v h TYR 9 CO 0.51 0.77 0.08 0.82 -1.05 0.00 0.00 178.16 179.30 1d5v h ILE 10 N 1.33 1.27 -0.27 -2.88 2.04 -1.99 -2.06 117.51 114.95 1d5v h ILE 10 Ca 0.37 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1d5v h ILE 10 Cb -0.12 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1d5v h ILE 10 CO -0.09 0.40 0.15 0.00 0.00 0.00 0.00 178.15 178.62 1d5v h ALA 11 N 1.04 0.34 -0.84 1.87 0.00 -1.60 0.70 119.26 120.78 1d5v h ALA 11 Ca 0.20 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1d5v h ALA 11 Cb 0.48 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1d5v h ALA 11 CO 0.02 -0.14 0.55 -0.07 0.00 0.00 0.00 179.25 179.61 1d5v h LEU 12 N 0.33 0.96 -0.30 0.00 3.38 -1.04 -0.14 115.31 118.49 1d5v h LEU 12 Ca 0.09 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1d5v h LEU 12 Cb 0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1d5v h LEU 12 CO -0.02 0.70 -0.33 0.40 0.09 0.00 0.00 178.44 179.29 1d5v h ILE 13 N 1.14 1.30 -0.73 1.22 2.04 -0.89 -1.17 117.51 120.41 1d5v h ILE 13 Ca 0.31 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1d5v h ILE 13 Cb -0.13 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1d5v h ILE 13 CO -0.07 0.49 0.47 0.74 0.00 0.00 0.00 178.15 179.78 1d5v h THR 14 N 0.51 1.20 -0.26 -0.27 2.02 0.94 -1.93 112.91 115.12 1d5v h THR 14 Ca 0.04 -0.40 -0.14 0.00 0.77 0.00 0.00 66.41 66.68 1d5v h THR 14 Cb 0.91 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1d5v h THR 14 CO 0.08 0.20 -0.43 0.24 0.37 0.00 0.00 175.52 175.98 1d5v h MET 15 N 1.00 0.64 -0.48 6.66 2.86 -0.98 -2.84 114.93 121.80 1d5v h MET 15 Ca 0.27 -0.35 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1d5v h MET 15 Cb -0.08 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1d5v h MET 15 CO -0.05 0.95 0.29 0.00 1.06 0.00 0.00 176.91 179.16 1d5v h ALA 16 N 1.00 0.61 -0.01 6.32 0.00 -0.62 0.65 119.26 127.21 1d5v h ALA 16 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1d5v h ALA 16 Cb 0.96 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1d5v h ALA 16 CO 0.09 -0.00 0.00 0.82 0.00 0.00 0.00 179.25 180.16 1d5v h ILE 17 N 0.59 1.00 -0.90 0.00 2.04 -1.31 0.23 117.51 119.17 1d5v h ILE 17 Ca 0.19 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 1d5v h ILE 17 Cb -0.01 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1d5v h ILE 17 CO -0.07 0.00 0.49 1.56 0.00 0.00 0.00 178.15 180.12 1d5v h GLN 18 N 0.01 1.26 -0.01 2.37 4.20 -1.20 -0.56 115.11 121.18 1d5v h GLN 18 Ca 0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1d5v h GLN 18 Cb -0.00 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.54 1d5v h GLN 18 CO -0.00 0.92 0.00 0.09 -0.67 0.00 0.00 178.83 179.17 1d5v n ASN 19 N -4.33 0.08 -4.80 1.46 5.03 0.22 -4.83 115.26 108.09 1d5v n ASN 19 Ca 0.10 -1.40 -0.35 0.00 0.87 0.00 0.00 54.58 53.80 1d5v n ASN 19 Cb 0.10 -0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.80 1d5v n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1d5v s ALA 20 N -1.99 3.08 0.34 5.41 0.00 0.76 -4.92 121.76 124.44 1d5v s ALA 20 Ca 0.30 0.51 0.37 0.00 0.00 0.00 0.00 51.96 53.14 1d5v s ALA 20 Cb 0.14 -3.19 1.75 0.00 0.00 0.00 0.00 23.12 21.82 1d5v s ALA 20 CO 0.23 0.04 2.13 -1.00 0.00 0.00 0.00 175.76 177.17 1d5v h PRO 21 N 2.36 0.00 -3.55 0.00 0.13 -1.88 -3.43 132.00 125.64 1d5v h PRO 21 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1d5v h PRO 21 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 1d5v h PRO 21 CO 0.62 0.02 -0.51 -1.83 -0.23 0.00 0.00 178.00 176.07 1d5v s GLU 22 N -3.90 0.46 0.25 0.86 -1.05 -1.26 -5.05 118.70 109.00 1d5v s GLU 22 Ca -0.02 -0.40 -0.06 0.00 -0.15 0.00 0.00 54.97 54.34 1d5v s GLU 22 Cb 0.11 0.19 0.25 0.00 -0.44 0.00 0.00 34.13 34.24 1d5v s GLU 22 CO 0.50 -0.11 1.90 0.87 0.95 0.00 0.00 175.26 179.38 1d5v h LYS 23 N 4.36 1.29 -6.27 -4.83 1.79 -1.86 -3.40 116.57 107.66 1d5v h LYS 23 Ca -0.31 -0.10 -0.56 0.00 -2.18 0.00 0.00 60.65 57.50 1d5v h LYS 23 Cb 1.20 -0.28 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 1d5v h LYS 23 CO 0.41 0.89 0.65 0.15 -1.08 0.00 0.00 179.45 180.47 1d5v s LYS 24 N -6.00 4.37 0.01 3.15 1.02 -1.26 -4.47 119.74 116.56 1d5v s LYS 24 Ca -0.13 1.52 0.01 0.00 0.02 0.00 0.00 55.97 57.39 1d5v s LYS 24 Cb 0.18 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1d5v s LYS 24 CO 0.82 -0.41 -0.02 -1.50 -0.92 0.00 0.00 175.35 173.32 1d5v s ILE 25 N 2.23 0.15 0.58 2.17 2.07 -1.08 -4.86 121.20 122.47 1d5v s ILE 25 Ca 0.52 -0.31 -0.13 0.00 -1.41 0.00 0.00 60.65 59.32 1d5v s ILE 25 Cb -0.21 -0.18 -0.05 0.00 0.13 0.00 0.00 42.46 42.15 1d5v s ILE 25 CO 0.19 -0.10 1.01 0.42 -1.91 0.00 0.00 174.94 174.55 1d5v s THR 26 N -0.42 4.63 0.25 4.00 -4.23 -1.26 -1.13 115.64 117.48 1d5v s THR 26 Ca -0.03 1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.41 1d5v s THR 26 Cb -0.03 -3.80 0.25 0.00 1.34 0.00 0.00 72.50 70.25 1d5v s THR 26 CO -0.00 -0.97 1.93 0.25 -0.54 0.00 0.00 174.62 175.28 1d5v h LEU 27 N 0.13 1.13 -0.81 4.79 5.85 -1.91 -2.21 115.31 122.28 1d5v h LEU 27 Ca -0.45 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1d5v h LEU 27 Cb 1.19 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1d5v h LEU 27 CO 0.62 0.82 0.54 0.78 -0.34 0.00 0.00 178.44 180.86 1d5v h ASN 28 N 1.34 0.93 -0.74 1.25 -0.26 -1.94 -2.67 115.58 113.50 1d5v h ASN 28 Ca 0.36 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 56.05 1d5v h ASN 28 Cb -0.16 -0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 36.84 1d5v h ASN 28 CO -0.08 0.68 0.37 1.23 -1.06 0.00 0.00 177.43 178.57 1d5v h GLY 29 N 1.10 1.14 1.01 2.83 0.00 -1.78 -2.66 103.07 104.72 1d5v h GLY 29 Ca 0.30 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 47.09 1d5v h GLY 29 CO -0.06 0.52 0.67 -2.22 0.00 0.00 0.00 176.54 175.45 1d5v h ILE 30 N 1.06 1.26 -1.00 2.60 2.04 -1.25 -1.98 117.51 120.23 1d5v h ILE 30 Ca 0.26 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1d5v h ILE 30 Cb 0.10 -0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 35.90 1d5v h ILE 30 CO -0.03 0.25 0.67 1.88 0.00 0.00 0.00 178.15 180.91 1d5v h TYR 31 N 1.37 1.26 -1.01 1.37 0.05 -1.43 -2.39 116.97 116.19 1d5v h TYR 31 Ca 0.37 0.03 0.02 0.00 0.05 0.00 0.00 58.73 59.20 1d5v h TYR 31 Cb -0.16 -0.43 -0.05 0.00 1.01 0.00 0.00 36.73 37.10 1d5v h TYR 31 CO -0.00 0.79 0.67 1.96 -1.05 0.00 0.00 178.16 180.53 1d5v h GLN 32 N 1.36 1.31 -0.94 4.88 1.08 -1.30 -2.07 115.11 119.43 1d5v h GLN 32 Ca 0.37 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1d5v h GLN 32 Cb -0.15 -0.29 -0.05 0.00 -0.05 0.00 0.00 27.48 26.93 1d5v h GLN 32 CO -0.08 0.87 0.59 0.35 -0.95 0.00 0.00 178.83 179.61 1d5v h PHE 33 N 1.35 1.22 0.79 2.96 3.04 -1.29 0.15 116.94 125.16 1d5v h PHE 33 Ca 0.38 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.30 1d5v h PHE 33 Cb -0.12 -0.40 0.01 0.00 2.56 0.00 0.00 35.95 37.99 1d5v h PHE 33 CO -0.00 0.79 -0.38 0.82 -2.02 0.00 0.00 178.31 177.52 1d5v h ILE 34 N 1.29 0.00 -1.01 1.41 1.08 -1.29 -1.47 117.51 117.53 1d5v h ILE 34 Ca 0.34 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.76 1d5v h ILE 34 Cb -0.09 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.61 1d5v h ILE 34 CO -0.07 0.00 0.67 0.24 -0.69 0.00 0.00 178.15 178.30 1d5v h MET 35 N -1.12 1.32 -0.93 2.37 2.86 -1.46 0.62 114.93 118.59 1d5v h MET 35 Ca -0.11 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1d5v h MET 35 Cb 0.81 -0.30 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 1d5v h MET 35 CO 0.18 0.88 0.54 -0.44 1.06 0.00 0.00 176.91 179.12 1d5v h ASP 36 N 1.36 1.13 0.00 1.22 3.32 -0.91 -3.31 116.42 119.23 1d5v h ASP 36 Ca 0.37 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1d5v h ASP 36 Cb -0.16 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.09 1d5v h ASP 36 CO -0.08 0.88 -0.76 0.03 -1.72 0.00 0.00 179.24 177.59 1d5v h ARG 37 N 1.28 0.00 -4.99 3.56 2.47 -0.78 -3.44 114.38 112.49 1d5v h ARG 37 Ca 0.33 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.38 1d5v h ARG 37 Cb -0.03 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.12 1d5v h ARG 37 CO -0.06 0.42 -0.19 -0.06 0.56 0.00 0.00 179.97 180.65 1d5v s PHE 38 N -2.25 3.18 -1.26 3.04 0.40 0.21 -4.92 117.98 116.38 1d5v s PHE 38 Ca -0.20 -0.16 0.30 0.00 -0.60 0.00 0.00 56.93 56.28 1d5v s PHE 38 Cb 0.03 -2.86 1.41 0.00 0.51 0.00 0.00 43.02 42.11 1d5v s PHE 38 CO 0.37 -0.60 2.00 -0.35 0.70 0.00 0.00 175.22 177.34 1d5v n PRO 39 N 5.60 0.26 -0.38 0.24 -0.04 -1.25 -3.76 135.00 135.67 1d5v n PRO 39 Ca -0.07 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.37 1d5v n PRO 39 Cb 0.48 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.55 1d5v n PRO 39 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1d5v h PHE 40 N 0.00 1.26 0.00 0.54 3.57 -1.91 -1.42 116.94 118.98 1d5v h PHE 40 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1d5v h PHE 40 Cb 0.37 -0.43 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1d5v h PHE 40 CO 0.00 0.80 0.00 0.66 -2.23 0.00 0.00 178.31 177.54 1d5v n TYR 41 N -4.38 0.55 -0.38 0.41 4.02 -1.25 -3.20 117.16 112.93 1d5v n TYR 41 Ca 0.12 0.21 -0.02 0.00 -0.01 0.00 0.00 57.90 58.20 1d5v n TYR 41 Cb 0.01 -0.84 0.11 0.00 -0.02 0.00 0.00 39.34 38.60 1d5v n TYR 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1d5v h ARG 42 N 0.00 1.33 -0.01 -0.72 2.47 -1.48 -1.49 114.38 114.47 1d5v h ARG 42 Ca 0.00 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1d5v h ARG 42 Cb 0.36 -0.30 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1d5v h ARG 42 CO 0.00 0.88 0.00 0.39 0.56 0.00 0.00 179.97 181.80 1d5v n GLU 43 N -4.38 1.49 -3.74 0.04 1.02 -1.19 -4.64 120.64 109.23 1d5v n GLU 43 Ca 0.12 -0.71 -0.28 0.00 -0.02 0.00 0.00 57.16 56.27 1d5v n GLU 43 Cb 0.01 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 29.79 1d5v n GLU 43 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1d5v s ASN 44 N -1.99 3.11 -0.08 1.62 0.01 -0.56 -4.97 114.94 112.08 1d5v s ASN 44 Ca 0.41 -0.95 0.07 0.00 -0.71 0.00 0.00 52.86 51.68 1d5v s ASN 44 Cb 0.21 -0.65 -0.10 0.00 0.41 0.00 0.00 41.25 41.12 1d5v s ASN 44 CO 0.34 -0.32 0.03 0.29 -1.51 0.00 0.00 177.10 175.93 1d5v n LYS 45 N 5.01 2.67 -3.35 -0.60 5.02 -1.26 -4.71 118.16 120.94 1d5v n LYS 45 Ca -0.08 -0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.82 1d5v n LYS 45 Cb 0.46 -1.21 -0.06 0.00 -0.02 0.00 0.00 35.03 34.20 1d5v n LYS 45 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1d5v s GLN 46 N -2.20 4.12 0.00 1.97 -0.21 -1.26 -3.65 119.66 118.43 1d5v s GLN 46 Ca -0.04 0.62 0.00 0.00 0.02 0.00 0.00 55.36 55.96 1d5v s GLN 46 Cb 0.02 -3.24 0.00 0.00 1.00 0.00 0.00 33.01 30.79 1d5v s GLN 46 CO 0.33 0.63 0.00 0.41 -2.12 0.00 0.00 175.29 174.54 1d5v n GLY 47 N 1.84 2.40 0.24 3.09 0.00 -1.26 -4.71 105.19 106.79 1d5v n GLY 47 Ca -0.11 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.37 1d5v n GLY 47 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1d5v h TRP 48 N 0.00 0.00 0.21 1.61 5.08 -1.90 -3.19 115.95 117.75 1d5v h TRP 48 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1d5v h TRP 48 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1d5v h TRP 48 CO 0.00 0.01 -0.10 0.37 -1.28 0.00 0.00 178.44 177.44 1d5v h GLN 49 N 0.00 -0.27 -0.22 0.12 4.15 -1.84 -2.43 115.11 114.62 1d5v h GLN 49 Ca -0.00 0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 1d5v h GLN 49 Cb 0.86 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 1d5v h GLN 49 CO 0.00 -0.09 -0.37 -0.91 -1.93 0.00 0.00 178.83 175.53 1d5v h ASN 50 N -0.39 0.52 -1.00 -0.69 -0.26 -1.88 -3.02 115.58 108.85 1d5v h ASN 50 Ca -0.03 -0.22 0.01 0.00 -0.56 0.00 0.00 56.30 55.50 1d5v h ASN 50 Cb 0.30 -0.14 -0.05 0.00 -1.06 0.00 0.00 38.32 37.37 1d5v h ASN 50 CO 0.05 0.85 0.67 0.28 -1.06 0.00 0.00 177.43 178.21 1d5v h SER 51 N 0.42 1.15 -0.38 5.81 0.02 -1.52 -0.24 113.55 118.80 1d5v h SER 51 Ca 0.04 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1d5v h SER 51 Cb 0.84 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1d5v h SER 51 CO 0.07 0.83 0.23 0.40 -1.14 0.00 0.00 176.83 177.22 1d5v h ILE 52 N 1.36 1.13 -0.40 3.27 1.08 -1.31 -1.36 117.51 121.28 1d5v h ILE 52 Ca 0.37 -0.29 -0.15 0.00 -0.39 0.00 0.00 64.86 64.39 1d5v h ILE 52 Cb -0.16 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 1d5v h ILE 52 CO -0.08 0.13 -0.35 0.03 -0.69 0.00 0.00 178.15 177.18 1d5v h ARG 53 N 0.50 0.95 -0.99 2.37 3.08 -1.44 -2.55 114.38 116.30 1d5v h ARG 53 Ca 0.14 -0.48 0.01 0.00 0.07 0.00 0.00 59.98 59.71 1d5v h ARG 53 Cb 0.01 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 1d5v h ARG 53 CO -0.03 1.14 0.65 0.45 -1.07 0.00 0.00 179.97 181.11 1d5v h HIS 54 N 0.77 1.25 -0.89 3.04 3.86 -0.85 0.17 115.15 122.51 1d5v h HIS 54 Ca 0.07 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1d5v h HIS 54 Cb 0.95 -0.42 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 1d5v h HIS 54 CO 0.06 0.79 0.47 -0.91 0.86 0.00 0.00 177.93 179.20 1d5v h ASN 55 N 1.34 1.13 -0.37 2.45 2.35 -1.08 0.53 115.58 121.92 1d5v h ASN 55 Ca 0.36 -0.11 -0.16 0.00 -0.55 0.00 0.00 56.30 55.83 1d5v h ASN 55 Cb -0.14 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 37.94 1d5v h ASN 55 CO -0.08 0.92 -0.41 -0.07 -1.65 0.00 0.00 177.43 176.14 1d5v h LEU 56 N 1.25 1.01 -0.04 1.61 3.38 -0.80 -0.44 115.31 121.28 1d5v h LEU 56 Ca 0.31 -0.47 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1d5v h LEU 56 Cb 0.06 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1d5v h LEU 56 CO -0.05 1.28 -0.46 0.77 0.09 0.00 0.00 178.44 180.07 1d5v h SER 57 N 0.76 0.48 -0.45 -0.43 4.64 -0.27 -3.30 113.55 114.98 1d5v h SER 57 Ca 0.05 -0.70 -0.14 0.00 -0.47 0.00 0.00 61.79 60.53 1d5v h SER 57 Cb 1.01 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1d5v h SER 57 CO 0.10 1.11 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.84 1d5v h LEU 58 N -0.11 1.02 -9.28 5.97 3.38 0.00 -3.41 115.31 112.88 1d5v h LEU 58 Ca -0.05 -0.41 -0.54 0.00 0.09 0.00 0.00 57.88 56.97 1d5v h LEU 58 Cb 1.15 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1d5v h LEU 58 CO 0.09 1.21 1.10 0.20 0.09 0.00 0.00 178.44 181.13 1d5v s ASN 59 N -6.76 6.65 0.02 -0.43 0.01 -0.17 -4.84 114.94 109.42 1d5v s ASN 59 Ca -0.11 2.29 0.26 0.00 -0.71 0.00 0.00 52.86 54.58 1d5v s ASN 59 Cb 0.12 -2.53 0.61 0.00 0.41 0.00 0.00 41.25 39.85 1d5v s ASN 59 CO 0.87 -0.93 1.49 -0.62 -1.51 0.00 0.00 177.10 176.40 1d5v n GLU 60 N 7.08 0.06 -0.27 -0.60 4.71 -1.26 -3.89 120.64 126.47 1d5v n GLU 60 Ca 0.17 0.02 -0.07 0.00 -0.01 0.00 0.00 57.16 57.28 1d5v n GLU 60 Cb 0.42 -1.54 0.05 0.00 -1.01 0.00 0.00 31.44 29.37 1d5v n GLU 60 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1d5v s PHE 62 N -5.39 3.57 -0.17 0.00 0.08 -1.25 -3.38 117.98 111.45 1d5v s PHE 62 Ca -0.12 1.62 -0.01 0.00 0.12 0.00 0.00 56.93 58.54 1d5v s PHE 62 Cb 0.15 -3.17 -0.00 0.00 -0.57 0.00 0.00 43.02 39.43 1d5v s PHE 62 CO 0.85 -0.20 -0.13 0.08 -0.10 0.00 0.00 175.22 175.72 1d5v s VAL 63 N 1.47 2.82 0.18 -0.44 1.01 -1.16 -4.98 120.40 119.31 1d5v s VAL 63 Ca 0.51 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 1d5v s VAL 63 Cb -0.20 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 1d5v s VAL 63 CO 0.24 0.50 0.43 -1.59 0.00 0.00 0.00 175.10 174.68 1d5v s LYS 64 N 0.90 3.66 -0.62 2.72 -2.85 -1.26 -3.05 119.74 119.24 1d5v s LYS 64 Ca -0.03 -0.01 0.03 0.00 -1.00 0.00 0.00 55.97 54.96 1d5v s LYS 64 Cb -0.15 -2.78 0.15 0.00 -2.06 0.00 0.00 37.83 32.99 1d5v s LYS 64 CO -0.01 0.40 0.40 0.14 0.10 0.00 0.00 175.35 176.38 1d5v s VAL 65 N -1.75 3.01 1.02 1.79 -7.23 -0.42 -4.96 120.40 111.86 1d5v s VAL 65 Ca 0.43 -3.57 -0.23 0.00 -1.81 0.00 0.00 61.98 56.79 1d5v s VAL 65 Cb -0.12 -3.01 -0.12 0.00 0.56 0.00 0.00 36.38 33.69 1d5v s VAL 65 CO 0.24 -0.89 -1.04 -2.65 -0.31 0.00 0.00 175.10 170.45 1d5v n PRO 66 N 2.79 -0.31 -2.15 4.82 -0.02 -1.26 -3.65 135.00 135.21 1d5v n PRO 66 Ca 0.11 -0.09 -0.25 0.00 -2.02 0.00 0.00 63.50 61.25 1d5v n PRO 66 Cb 0.34 -1.17 0.16 0.00 -0.02 0.00 0.00 33.50 32.81 1d5v n PRO 66 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1d5v n ARG 67 N 1.44 -0.68 -1.83 -0.52 1.74 -1.26 -4.81 116.66 110.74 1d5v n ARG 67 Ca -0.01 -2.29 -0.35 0.00 -0.77 0.00 0.00 57.85 54.42 1d5v n ARG 67 Cb 0.69 -0.98 0.05 0.00 -1.02 0.00 0.00 32.46 31.19 1d5v n ARG 67 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1d5v s ASP 68 N -5.30 4.90 0.60 0.55 1.01 -1.26 -4.86 116.67 112.30 1d5v s ASP 68 Ca 0.68 2.37 0.38 0.00 0.71 0.00 0.00 52.55 56.70 1d5v s ASP 68 Cb -0.03 -2.59 1.81 0.00 1.01 0.00 0.00 42.92 43.12 1d5v s ASP 68 CO 0.47 -1.79 2.15 0.44 0.21 0.00 0.00 175.17 176.64 1d5v h ASP 69 N 0.51 0.00 -0.16 0.27 3.32 -2.03 -1.54 116.42 116.79 1d5v h ASP 69 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1d5v h ASP 69 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1d5v h ASP 69 CO 0.54 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 178.35 1d5v n LYS 70 N -3.08 2.07 -3.65 3.56 5.02 -1.26 -4.60 118.16 116.22 1d5v n LYS 70 Ca -0.01 -1.58 -0.28 0.00 -2.02 0.00 0.00 58.31 54.42 1d5v n LYS 70 Cb 0.21 -1.46 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 1d5v n LYS 70 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1d5v s LYS 71 N -1.81 1.69 0.00 1.97 2.20 -0.58 -5.10 119.74 118.11 1d5v s LYS 71 Ca 0.34 -2.74 0.00 0.00 -0.36 0.00 0.00 55.97 53.21 1d5v s LYS 71 Cb 0.20 -2.42 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 1d5v s LYS 71 CO 0.30 -1.34 0.00 -0.35 -0.36 0.00 0.00 175.35 173.60 1d5v n PRO 72 N 2.39 1.14 0.00 4.03 -0.04 -1.26 -4.32 135.00 136.95 1d5v n PRO 72 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1d5v n PRO 72 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1d5v n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d5v n GLY 73 N 5.00 1.61 3.64 0.55 0.00 -1.26 -5.04 105.19 109.70 1d5v n GLY 73 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 1d5v n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d5v s LYS 74 N 0.00 0.41 1.22 1.61 1.02 -1.26 -5.02 119.74 117.72 1d5v s LYS 74 Ca 0.00 0.81 -0.20 0.00 0.02 0.00 0.00 55.97 56.60 1d5v s LYS 74 Cb 0.00 -1.71 0.30 0.00 -0.52 0.00 0.00 37.83 35.89 1d5v s LYS 74 CO 0.00 -2.82 1.12 0.20 -0.92 0.00 0.00 175.35 172.93 1d5v s GLY 75 N -3.12 1.59 0.79 -3.33 0.00 -1.26 -5.02 107.32 96.98 1d5v s GLY 75 Ca 0.66 -1.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.23 1d5v s GLY 75 CO 0.59 -0.12 1.17 -1.35 0.00 0.00 0.00 173.10 173.39 1d5v s SER 76 N -3.99 4.62 0.14 1.64 1.04 -1.26 -4.85 113.70 111.05 1d5v s SER 76 Ca 0.72 0.81 -0.14 0.00 0.48 0.00 0.00 55.95 57.82 1d5v s SER 76 Cb -0.08 -1.34 -0.07 0.00 0.10 0.00 0.00 66.02 64.62 1d5v s SER 76 CO 0.56 -1.83 0.54 -0.31 0.98 0.00 0.00 173.24 173.18 1d5v s TYR 77 N -3.54 3.61 -0.03 5.02 2.02 -1.24 -4.03 117.35 119.16 1d5v s TYR 77 Ca 0.61 1.05 0.08 0.00 -0.37 0.00 0.00 57.07 58.45 1d5v s TYR 77 Cb -0.11 -2.36 -0.02 0.00 -0.40 0.00 0.00 41.96 39.07 1d5v s TYR 77 CO 0.49 0.43 -0.26 -1.58 -1.57 0.00 0.00 175.55 173.07 1d5v s TRP 78 N -1.46 2.34 0.21 2.71 0.52 -0.28 -1.30 118.94 121.67 1d5v s TRP 78 Ca 0.38 -0.48 -0.12 0.00 0.02 0.00 0.00 56.10 55.90 1d5v s TRP 78 Cb -0.15 -1.51 -0.00 0.00 -1.15 0.00 0.00 33.47 30.66 1d5v s TRP 78 CO 0.19 -0.06 0.41 -0.08 0.02 0.00 0.00 176.95 177.43 1d5v s THR 79 N -0.55 0.03 0.95 2.01 -1.32 -1.17 -2.62 115.64 112.97 1d5v s THR 79 Ca 0.08 -1.31 -0.12 0.00 -1.21 0.00 0.00 61.69 59.13 1d5v s THR 79 Cb -0.10 -1.99 0.16 0.00 -1.51 0.00 0.00 72.50 69.06 1d5v s THR 79 CO -0.00 -0.12 1.10 -0.76 -2.21 0.00 0.00 174.62 172.63 1d5v s LEU 80 N -2.98 1.85 0.19 9.08 1.43 -1.26 -2.97 118.68 124.02 1d5v s LEU 80 Ca 0.19 1.22 -0.32 0.00 -1.03 0.00 0.00 54.13 54.19 1d5v s LEU 80 Cb 0.01 -3.50 -0.12 0.00 0.03 0.00 0.00 46.19 42.62 1d5v s LEU 80 CO 0.04 -2.88 1.76 -0.62 0.23 0.00 0.00 176.35 174.88 1d5v s ASP 81 N -3.57 6.39 0.00 2.29 2.15 -1.22 -4.52 116.67 118.19 1d5v s ASP 81 Ca 0.64 2.85 0.00 0.00 0.43 0.00 0.00 52.55 56.47 1d5v s ASP 81 Cb -0.18 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1d5v s ASP 81 CO 0.57 -0.99 0.00 -0.81 -0.17 0.00 0.00 175.17 173.77 1d5v n PRO 82 N 4.45 2.69 -1.64 4.34 -0.04 -1.26 -4.83 135.00 138.71 1d5v n PRO 82 Ca 0.16 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.21 1d5v n PRO 82 Cb 0.36 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.80 1d5v n PRO 82 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1d5v n ASP 83 N 0.00 3.48 0.20 3.54 8.00 -1.26 -4.63 116.55 125.88 1d5v n ASP 83 Ca 0.00 -2.79 0.15 0.00 0.71 0.00 0.00 54.79 52.86 1d5v n ASP 83 Cb 0.00 -1.49 0.59 0.00 -0.02 0.00 0.00 41.12 40.20 1d5v n ASP 83 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1d5v h SER 84 N 7.03 0.00 -0.13 -2.24 4.64 -2.00 -2.85 113.55 118.00 1d5v h SER 84 Ca 0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.77 1d5v h SER 84 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1d5v h SER 84 CO 1.83 0.00 -0.01 1.88 -0.87 0.00 0.00 176.83 179.66 1d5v h TYR 85 N 0.00 0.35 -0.53 4.77 0.05 -2.01 -1.34 116.97 118.26 1d5v h TYR 85 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1d5v h TYR 85 Cb 0.43 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1d5v h TYR 85 CO 0.00 0.37 0.00 0.09 -1.05 0.00 0.00 178.16 177.57 1d5v n ASN 86 N -4.34 5.20 -3.85 3.88 5.03 -1.08 -4.99 115.26 115.12 1d5v n ASN 86 Ca 0.00 -2.79 -0.23 0.00 0.87 0.00 0.00 54.58 52.43 1d5v n ASN 86 Cb 0.21 -0.66 0.12 0.00 -1.02 0.00 0.00 39.78 38.43 1d5v n ASN 86 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.26 176.58 1d5v n MET 87 N 0.62 -1.58 -2.11 3.52 0.00 -0.51 -4.71 117.12 112.36 1d5v n MET 87 Ca 0.25 -0.46 -0.42 0.00 0.00 0.00 0.00 57.70 57.06 1d5v n MET 87 Cb 1.08 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 32.88 1d5v n MET 87 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1d5v n PHE 88 N -4.16 3.86 -2.03 3.17 3.72 -1.26 -4.96 117.46 115.79 1d5v n PHE 88 Ca 0.03 -2.94 -0.39 0.00 -0.05 0.00 0.00 57.45 54.10 1d5v n PHE 88 Cb 0.45 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.51 1d5v n PHE 88 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1d5v s GLU 89 N 3.03 3.84 -0.06 -1.08 -1.05 -1.26 -4.90 118.70 117.21 1d5v s GLU 89 Ca 0.48 2.14 0.15 0.00 -0.15 0.00 0.00 54.97 57.59 1d5v s GLU 89 Cb 0.10 -2.66 0.54 0.00 -0.44 0.00 0.00 34.13 31.67 1d5v s GLU 89 CO -0.03 -0.60 1.42 0.09 0.95 0.00 0.00 175.26 177.10 1d5v n ASN 90 N -0.09 3.55 0.00 0.83 3.02 -1.26 -4.94 115.26 116.38 1d5v n ASN 90 Ca 0.05 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.35 1d5v n ASN 90 Cb 0.44 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1d5v n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d5v n GLY 91 N 1.07 1.42 2.62 7.41 0.00 -1.26 -5.04 105.19 111.41 1d5v n GLY 91 Ca 0.20 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 1d5v n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1d5v n SER 92 N 0.00 2.29 -0.36 1.61 3.41 -1.26 -4.91 113.62 114.40 1d5v n SER 92 Ca 0.00 -2.77 -0.03 0.00 -0.26 0.00 0.00 58.87 55.81 1d5v n SER 92 Cb 0.00 -0.49 0.10 0.00 -0.26 0.00 0.00 64.21 63.56 1d5v n SER 92 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1d5v h PHE 93 N 2.76 1.20 0.00 7.33 3.57 -1.97 -3.55 116.94 126.27 1d5v h PHE 93 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1d5v h PHE 93 Cb 1.20 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1d5v h PHE 93 CO 0.58 0.75 0.00 -0.11 -2.23 0.00 0.00 178.31 177.30