#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 3.28 0.00 4.03 1.43 -1.26 -5.05 118.68 121.11 1d5v s LEU 2 Ca 0.00 1.62 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1d5v s LEU 2 Cb 0.00 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 1d5v s LEU 2 CO 0.00 -1.18 -0.01 0.68 0.23 0.00 0.00 176.35 176.07 1d5v s VAL 3 N -2.90 4.08 0.54 -1.59 -7.23 -1.26 -5.04 120.40 107.00 1d5v s VAL 3 Ca 0.59 -0.65 -0.20 0.00 -1.81 0.00 0.00 61.98 59.92 1d5v s VAL 3 Cb -0.13 -2.82 -0.06 0.00 0.56 0.00 0.00 36.38 33.92 1d5v s VAL 3 CO 0.48 0.36 1.13 -1.59 -0.31 0.00 0.00 175.10 175.17 1d5v s LYS 4 N -1.59 3.38 0.68 4.82 -2.85 -1.26 -4.93 119.74 117.99 1d5v s LYS 4 Ca 0.20 1.60 -0.11 0.00 -1.00 0.00 0.00 55.97 56.66 1d5v s LYS 4 Cb -0.11 -2.01 -0.00 0.00 -2.06 0.00 0.00 37.83 33.64 1d5v s LYS 4 CO 0.10 -0.83 1.05 -1.25 0.10 0.00 0.00 175.35 174.53 1d5v s PRO 5 N -3.28 3.06 0.00 1.78 0.04 -1.26 -4.92 135.00 130.42 1d5v s PRO 5 Ca 0.72 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1d5v s PRO 5 Cb -0.24 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1d5v s PRO 5 CO 0.27 -1.00 0.62 -0.35 0.04 0.00 0.00 177.00 176.58 1d5v n PRO 6 N -3.06 0.66 -4.49 0.56 -0.04 -1.26 -4.79 135.00 122.60 1d5v n PRO 6 Ca 0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 1d5v n PRO 6 Cb 0.54 -1.19 -0.12 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.17 3.00 0.90 0.54 2.02 -1.26 -5.11 117.35 117.61 1d5v s TYR 7 Ca 0.00 -0.17 -0.14 0.00 -0.37 0.00 0.00 57.07 56.39 1d5v s TYR 7 Cb 0.00 -1.86 0.15 0.00 -0.40 0.00 0.00 41.96 39.85 1d5v s TYR 7 CO 0.00 0.12 1.26 -1.54 -1.57 0.00 0.00 175.55 173.82 1d5v s SER 8 N -0.12 3.71 0.36 2.29 1.04 -1.26 -4.79 113.70 114.93 1d5v s SER 8 Ca 0.02 0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.96 1d5v s SER 8 Cb -0.13 -0.72 0.67 0.00 0.10 0.00 0.00 66.02 65.95 1d5v s SER 8 CO 0.03 -2.38 2.02 1.88 0.98 0.00 0.00 173.24 175.77 1d5v h TYR 9 N -1.39 0.75 -0.46 5.02 0.05 -1.99 -1.93 116.97 117.02 1d5v h TYR 9 Ca -0.45 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.21 1d5v h TYR 9 Cb 1.27 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 1d5v h TYR 9 CO -0.53 0.47 -0.27 0.82 -1.05 0.00 0.00 178.16 177.61 1d5v h ILE 10 N 0.81 1.27 -0.40 -2.88 1.08 -2.00 -2.93 117.51 112.45 1d5v h ILE 10 Ca 0.22 -1.44 -0.16 0.00 -0.39 0.00 0.00 64.86 63.10 1d5v h ILE 10 Cb -0.09 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1d5v h ILE 10 CO -0.05 0.49 -0.36 0.00 -0.69 0.00 0.00 178.15 177.55 1d5v h ALA 11 N 0.84 0.59 -1.00 1.87 0.00 -1.78 -1.84 119.26 117.93 1d5v h ALA 11 Ca 0.10 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1d5v h ALA 11 Cb 0.85 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1d5v h ALA 11 CO 0.08 0.68 0.66 -0.07 0.00 0.00 0.00 179.25 180.60 1d5v h LEU 12 N 0.79 1.15 -0.52 0.00 3.38 -1.36 0.34 115.31 119.09 1d5v h LEU 12 Ca 0.07 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1d5v h LEU 12 Cb 0.95 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1d5v h LEU 12 CO 0.09 0.84 -0.17 0.40 0.09 0.00 0.00 178.44 179.69 1d5v h ILE 13 N 1.36 1.27 -0.62 1.22 2.04 -1.38 -1.99 117.51 119.41 1d5v h ILE 13 Ca 0.37 -1.33 -0.10 0.00 1.00 0.00 0.00 64.86 64.80 1d5v h ILE 13 Cb -0.15 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1d5v h ILE 13 CO -0.08 0.47 0.01 0.74 0.00 0.00 0.00 178.15 179.29 1d5v h THR 14 N 0.89 1.27 -0.38 -0.27 2.02 -0.46 -2.67 112.91 113.31 1d5v h THR 14 Ca 0.13 -1.14 -0.16 0.00 0.77 0.00 0.00 66.41 66.00 1d5v h THR 14 Cb 0.75 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1d5v h THR 14 CO 0.06 0.42 -0.40 0.24 0.37 0.00 0.00 175.52 176.21 1d5v h MET 15 N 0.99 0.94 -0.27 6.66 2.86 -0.87 -2.43 114.93 122.81 1d5v h MET 15 Ca 0.18 -0.50 0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1d5v h MET 15 Cb 0.55 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 1d5v h MET 15 CO 0.03 1.16 0.09 0.00 1.06 0.00 0.00 176.91 179.25 1d5v h ALA 16 N 0.77 0.31 0.00 6.32 0.00 -1.24 0.63 119.26 126.05 1d5v h ALA 16 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1d5v h ALA 16 Cb 1.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1d5v h ALA 16 CO 0.10 -0.31 -0.00 0.82 0.00 0.00 0.00 179.25 179.86 1d5v h ILE 17 N 0.22 1.00 -0.96 0.00 2.04 -1.44 -0.68 117.51 117.70 1d5v h ILE 17 Ca 0.12 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 1d5v h ILE 17 Cb 0.08 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1d5v h ILE 17 CO -0.12 0.00 0.59 1.56 0.00 0.00 0.00 178.15 180.18 1d5v h GLN 18 N -0.00 1.29 0.00 2.37 1.08 -0.98 -0.89 115.11 117.97 1d5v h GLN 18 Ca -0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1d5v h GLN 18 Cb 0.00 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.16 1d5v h GLN 18 CO 0.00 0.89 0.00 -0.91 -0.95 0.00 0.00 178.83 177.86 1d5v h ASN 19 N 1.32 0.00 -4.01 1.46 -0.26 0.73 -3.43 115.58 111.38 1d5v h ASN 19 Ca 0.34 0.00 -0.45 0.00 -0.56 0.00 0.00 56.30 55.63 1d5v h ASN 19 Cb -0.07 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1d5v h ASN 19 CO -0.07 0.00 0.35 0.00 -1.06 0.00 0.00 177.43 176.66 1d5v s ALA 20 N -3.51 3.06 0.01 -0.83 0.00 -0.30 -4.98 121.76 115.21 1d5v s ALA 20 Ca 0.02 0.48 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 1d5v s ALA 20 Cb 0.09 -3.18 -0.18 0.00 0.00 0.00 0.00 23.12 19.85 1d5v s ALA 20 CO 0.47 0.06 1.34 -1.00 0.00 0.00 0.00 175.76 176.62 1d5v h PRO 21 N 2.22 -0.14 -5.69 0.00 0.13 -1.84 -3.42 132.00 123.25 1d5v h PRO 21 Ca -0.48 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 1d5v h PRO 21 Cb 1.19 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 1d5v h PRO 21 CO 0.62 0.19 -0.44 -1.21 -0.23 0.00 0.00 178.00 176.93 1d5v s GLU 22 N -4.75 3.51 0.43 0.86 2.02 -1.26 -4.98 118.70 114.53 1d5v s GLU 22 Ca -0.15 -0.06 0.19 0.00 0.02 0.00 0.00 54.97 54.98 1d5v s GLU 22 Cb 0.03 -3.20 0.97 0.00 0.10 0.00 0.00 34.13 32.03 1d5v s GLU 22 CO 0.62 0.76 1.90 0.87 0.02 0.00 0.00 175.26 179.44 1d5v h LYS 23 N 4.96 0.00 -6.34 1.61 1.79 -1.85 -3.40 116.57 113.33 1d5v h LYS 23 Ca -0.54 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.35 1d5v h LYS 23 Cb 1.23 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.82 1d5v h LYS 23 CO 0.59 0.27 0.89 0.15 -1.08 0.00 0.00 179.45 180.26 1d5v s LYS 24 N -4.08 4.01 0.06 3.15 1.02 -1.26 -4.31 119.74 118.33 1d5v s LYS 24 Ca -0.02 1.12 0.01 0.00 0.02 0.00 0.00 55.97 57.10 1d5v s LYS 24 Cb 0.13 -3.79 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 1d5v s LYS 24 CO 0.67 -0.98 -0.06 -1.50 -0.92 0.00 0.00 175.35 172.56 1d5v s ILE 25 N 3.88 0.47 0.50 2.17 2.07 -1.17 -4.87 121.20 124.24 1d5v s ILE 25 Ca 0.49 -1.40 -0.17 0.00 -1.41 0.00 0.00 60.65 58.15 1d5v s ILE 25 Cb -0.13 -0.99 -0.08 0.00 0.13 0.00 0.00 42.46 41.38 1d5v s ILE 25 CO 0.18 -0.63 0.97 0.42 -1.91 0.00 0.00 174.94 173.98 1d5v s THR 26 N -2.40 4.51 0.18 4.00 -4.23 -1.26 -0.05 115.64 116.39 1d5v s THR 26 Ca -0.02 1.26 -0.13 0.00 -1.18 0.00 0.00 61.69 61.62 1d5v s THR 26 Cb -0.03 -3.70 0.08 0.00 1.34 0.00 0.00 72.50 70.20 1d5v s THR 26 CO -0.03 -0.61 1.85 0.25 -0.54 0.00 0.00 174.62 175.54 1d5v h LEU 27 N 1.12 0.66 -0.99 4.79 5.85 -1.89 -2.23 115.31 122.63 1d5v h LEU 27 Ca -0.47 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.23 1d5v h LEU 27 Cb 1.18 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1d5v h LEU 27 CO 0.61 0.48 0.64 0.78 -0.34 0.00 0.00 178.44 180.61 1d5v h ASN 28 N 0.78 1.15 -0.93 1.25 -0.26 -1.96 -2.63 115.58 112.97 1d5v h ASN 28 Ca 0.21 -0.04 0.01 0.00 -0.56 0.00 0.00 56.30 55.92 1d5v h ASN 28 Cb -0.09 -0.29 -0.05 0.00 -1.06 0.00 0.00 38.32 36.84 1d5v h ASN 28 CO -0.05 0.85 0.61 1.23 -1.06 0.00 0.00 177.43 179.01 1d5v h GLY 29 N 1.34 1.32 1.01 2.83 0.00 -1.79 -2.58 103.07 105.20 1d5v h GLY 29 Ca 0.36 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.19 1d5v h GLY 29 CO -0.07 0.49 0.52 -2.22 0.00 0.00 0.00 176.54 175.25 1d5v h ILE 30 N 1.27 1.20 -0.80 2.60 2.04 -1.20 -2.44 117.51 120.17 1d5v h ILE 30 Ca 0.34 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1d5v h ILE 30 Cb -0.13 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 35.96 1d5v h ILE 30 CO -0.07 0.19 0.53 1.88 0.00 0.00 0.00 178.15 180.68 1d5v h TYR 31 N 1.06 1.02 -0.95 1.37 0.05 -1.42 -2.33 116.97 115.77 1d5v h TYR 31 Ca 0.29 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.09 1d5v h TYR 31 Cb -0.12 -0.34 -0.05 0.00 1.01 0.00 0.00 36.73 37.23 1d5v h TYR 31 CO -0.02 0.65 0.61 1.96 -1.05 0.00 0.00 178.16 180.31 1d5v h GLN 32 N 1.09 1.27 -0.50 4.88 1.08 -1.27 -2.50 115.11 119.15 1d5v h GLN 32 Ca 0.29 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1d5v h GLN 32 Cb -0.11 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.01 1d5v h GLN 32 CO -0.06 0.86 0.29 0.35 -0.95 0.00 0.00 178.83 179.32 1d5v h PHE 33 N 1.30 0.67 0.01 2.96 3.57 -1.12 -1.01 116.94 123.32 1d5v h PHE 33 Ca 0.35 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 1d5v h PHE 33 Cb -0.12 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.40 1d5v h PHE 33 CO -0.00 0.47 -0.01 0.82 -2.23 0.00 0.00 178.31 177.36 1d5v h ILE 34 N 0.67 0.98 -0.82 1.41 2.04 -1.17 0.62 117.51 121.23 1d5v h ILE 34 Ca 0.18 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 1d5v h ILE 34 Cb 0.01 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1d5v h ILE 34 CO -0.03 0.00 0.35 0.24 0.00 0.00 0.00 178.15 178.71 1d5v h MET 35 N -0.02 1.20 -0.38 2.37 2.86 -1.37 0.46 114.93 120.06 1d5v h MET 35 Ca -0.00 -0.20 -0.16 0.00 -2.06 0.00 0.00 59.70 57.27 1d5v h MET 35 Cb 0.02 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1d5v h MET 35 CO -0.00 0.96 -0.40 -0.44 1.06 0.00 0.00 176.91 178.09 1d5v h ASP 36 N 1.18 1.01 0.02 1.22 3.32 -0.80 -3.26 116.42 119.11 1d5v h ASP 36 Ca 0.27 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1d5v h ASP 36 Cb 0.18 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1d5v h ASP 36 CO -0.03 1.27 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.66 1d5v h ARG 37 N 0.76 -0.03 -4.88 3.56 9.65 0.59 -3.42 114.38 120.62 1d5v h ARG 37 Ca 0.06 0.00 -0.67 0.00 -1.10 0.00 0.00 59.98 58.27 1d5v h ARG 37 Cb 0.99 0.01 -0.32 0.00 -1.39 0.00 0.00 29.97 29.26 1d5v h ARG 37 CO 0.10 0.56 -0.74 -0.06 2.80 0.00 0.00 179.97 182.63 1d5v s PHE 38 N -3.75 3.11 -1.62 2.20 0.08 0.16 -4.98 117.98 113.19 1d5v s PHE 38 Ca -0.16 -1.63 0.28 0.00 0.12 0.00 0.00 56.93 55.54 1d5v s PHE 38 Cb 0.01 -2.07 1.50 0.00 -0.57 0.00 0.00 43.02 41.89 1d5v s PHE 38 CO 0.66 -0.75 1.98 -0.35 -0.10 0.00 0.00 175.22 176.66 1d5v n PRO 39 N 4.66 0.56 -0.36 0.24 -0.04 -1.23 -3.53 135.00 135.30 1d5v n PRO 39 Ca -0.16 0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.30 1d5v n PRO 39 Cb 0.46 -1.50 0.13 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 1.23 0.00 0.54 3.57 -1.92 -1.36 116.94 119.01 1d5v h PHE 40 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1d5v h PHE 40 Cb 0.17 -0.42 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 1d5v h PHE 40 CO 0.00 0.77 -0.08 1.88 -2.23 0.00 0.00 178.31 178.65 1d5v h TYR 41 N 1.32 0.00 -1.01 0.41 -1.99 -1.84 -3.02 116.97 110.85 1d5v h TYR 41 Ca 0.36 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.10 1d5v h TYR 41 Cb -0.15 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.53 1d5v h TYR 41 CO -0.00 0.08 0.67 0.00 -0.00 0.00 0.00 178.16 178.90 1d5v h ARG 42 N 0.00 1.32 -0.60 4.88 3.08 -1.46 -2.02 114.38 119.58 1d5v h ARG 42 Ca -0.00 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1d5v h ARG 42 Cb 0.56 -0.30 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1d5v h ARG 42 CO 0.01 0.87 0.35 0.93 -1.07 0.00 0.00 179.97 181.07 1d5v h GLU 43 N 1.36 0.81 -4.66 0.04 4.39 -1.62 -3.37 114.58 111.54 1d5v h GLU 43 Ca 0.37 -0.08 -0.70 0.00 0.34 0.00 0.00 59.36 59.30 1d5v h GLU 43 Cb -0.15 -0.17 -0.29 0.00 -0.10 0.00 0.00 28.75 28.05 1d5v h GLU 43 CO -0.08 0.59 -0.60 1.21 -1.16 0.00 0.00 179.01 178.97 1d5v s ASN 44 N -5.84 5.34 -0.21 1.42 2.47 -0.76 -4.94 114.94 112.42 1d5v s ASN 44 Ca -0.13 -1.18 0.05 0.00 0.42 0.00 0.00 52.86 52.02 1d5v s ASN 44 Cb 0.13 -1.88 -0.16 0.00 -1.45 0.00 0.00 41.25 37.89 1d5v s ASN 44 CO 0.77 -0.34 -0.14 0.29 -3.72 0.00 0.00 177.10 173.95 1d5v n LYS 45 N 4.82 0.69 -3.25 0.43 5.02 -1.24 -4.70 118.16 119.93 1d5v n LYS 45 Ca -0.12 0.10 -0.39 0.00 -2.02 0.00 0.00 58.31 55.88 1d5v n LYS 45 Cb 0.44 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.44 4.23 0.00 1.97 -1.52 -1.26 -3.66 119.66 116.98 1d5v s GLN 46 Ca -0.25 0.75 0.00 0.00 -1.95 0.00 0.00 55.36 53.91 1d5v s GLN 46 Cb 0.07 -3.26 0.00 0.00 -0.22 0.00 0.00 33.01 29.61 1d5v s GLN 46 CO 0.56 0.59 0.00 0.41 -0.25 0.00 0.00 175.29 176.61 1d5v n GLY 47 N 1.83 2.27 0.23 3.09 0.00 -1.26 -4.75 105.19 106.60 1d5v n GLY 47 Ca -0.10 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 0.89 0.00 1.61 5.08 -1.89 -2.50 115.95 119.14 1d5v h TRP 48 Ca 0.00 -0.32 0.00 0.00 1.08 0.00 0.00 58.89 59.65 1d5v h TRP 48 Cb 0.00 -0.17 -0.00 0.00 -3.00 0.00 0.00 29.16 25.99 1d5v h TRP 48 CO 0.00 1.10 -0.00 0.37 -1.28 0.00 0.00 178.44 178.63 1d5v h GLN 49 N 0.54 -0.01 0.00 0.12 4.15 -1.86 -2.76 115.11 115.30 1d5v h GLN 49 Ca 0.01 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 1d5v h GLN 49 Cb 1.13 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 1d5v h GLN 49 CO 0.11 -0.00 -0.40 -0.91 -1.93 0.00 0.00 178.83 175.70 1d5v h ASN 50 N -0.01 0.00 -0.88 -0.69 2.35 -1.85 -3.22 115.58 111.28 1d5v h ASN 50 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1d5v h ASN 50 Cb 0.01 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1d5v h ASN 50 CO -0.00 0.40 0.59 -1.28 -1.65 0.00 0.00 177.43 175.49 1d5v h SER 51 N 0.00 1.02 -0.59 5.81 0.87 -1.15 -2.47 113.55 117.03 1d5v h SER 51 Ca -0.00 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1d5v h SER 51 Cb 1.04 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1d5v h SER 51 CO 0.05 0.74 0.05 0.40 -0.53 0.00 0.00 176.83 177.53 1d5v h ILE 52 N 1.20 1.26 -0.60 2.23 2.04 -1.54 -1.85 117.51 120.26 1d5v h ILE 52 Ca 0.32 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1d5v h ILE 52 Cb -0.14 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1d5v h ILE 52 CO -0.07 0.39 0.40 0.03 0.00 0.00 0.00 178.15 178.90 1d5v h ARG 53 N 0.91 0.79 -1.01 2.37 3.08 -1.57 0.17 114.38 119.12 1d5v h ARG 53 Ca 0.17 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1d5v h ARG 53 Cb 0.49 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 1d5v h ARG 53 CO 0.02 0.52 0.67 1.25 -1.07 0.00 0.00 179.97 181.36 1d5v h HIS 54 N 0.81 1.27 -0.47 3.04 2.76 -1.22 -2.13 115.15 119.20 1d5v h HIS 54 Ca 0.22 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.28 1d5v h HIS 54 Cb -0.09 -0.43 -0.01 0.00 1.55 0.00 0.00 27.41 28.43 1d5v h HIS 54 CO -0.03 0.80 -0.24 -0.91 -1.30 0.00 0.00 177.93 176.24 1d5v h ASN 55 N 1.37 1.03 -0.95 3.26 2.35 -0.43 -2.83 115.58 119.38 1d5v h ASN 55 Ca 0.37 -0.41 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1d5v h ASN 55 Cb -0.16 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 37.88 1d5v h ASN 55 CO -0.08 1.21 0.58 -0.07 -1.65 0.00 0.00 177.43 177.42 1d5v h LEU 56 N 0.85 1.13 -0.02 1.61 3.38 -0.09 0.25 115.31 122.42 1d5v h LEU 56 Ca 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1d5v h LEU 56 Cb 0.83 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1d5v h LEU 56 CO 0.07 0.86 0.00 -1.28 0.09 0.00 0.00 178.44 178.19 1d5v h SER 57 N 1.31 0.03 0.32 -0.43 0.87 -1.30 -3.03 113.55 111.32 1d5v h SER 57 Ca 0.34 -0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 1d5v h SER 57 Cb -0.07 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1d5v h SER 57 CO -0.07 0.26 -0.48 -0.07 -0.53 0.00 0.00 176.83 175.95 1d5v h LEU 58 N -0.20 0.21 -8.87 2.23 3.38 -1.30 -3.41 115.31 107.35 1d5v h LEU 58 Ca 0.01 -0.10 -0.57 0.00 0.09 0.00 0.00 57.88 57.31 1d5v h LEU 58 Cb 0.24 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1d5v h LEU 58 CO 0.00 0.66 1.04 0.20 0.09 0.00 0.00 178.44 180.43 1d5v s ASN 59 N -6.88 6.45 0.00 -0.43 0.01 0.87 -4.84 114.94 110.11 1d5v s ASN 59 Ca -0.04 1.03 0.28 0.00 -0.71 0.00 0.00 52.86 53.42 1d5v s ASN 59 Cb 0.13 -2.54 0.98 0.00 0.41 0.00 0.00 41.25 40.23 1d5v s ASN 59 CO 0.77 -1.30 1.71 -0.62 -1.51 0.00 0.00 177.10 176.15 1d5v n GLU 60 N 7.78 1.72 0.26 -0.60 1.02 -1.26 -3.93 120.64 125.63 1d5v n GLU 60 Ca 0.16 -1.04 0.15 0.00 -0.02 0.00 0.00 57.16 56.41 1d5v n GLU 60 Cb 0.47 -1.48 0.64 0.00 -0.02 0.00 0.00 31.44 31.05 1d5v n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d5v s PHE 62 N -3.71 3.44 -0.17 0.00 0.08 -1.25 -4.47 117.98 111.90 1d5v s PHE 62 Ca 0.01 1.02 -0.01 0.00 0.12 0.00 0.00 56.93 58.06 1d5v s PHE 62 Cb 0.10 -2.41 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1d5v s PHE 62 CO 0.57 0.00 -0.11 0.08 -0.10 0.00 0.00 175.22 175.66 1d5v s VAL 63 N -2.20 2.99 0.62 -0.44 1.01 -0.14 -4.94 120.40 117.30 1d5v s VAL 63 Ca 0.51 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 1d5v s VAL 63 Cb -0.10 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1d5v s VAL 63 CO 0.27 0.49 1.03 -0.54 0.00 0.00 0.00 175.10 176.35 1d5v s LYS 64 N 0.91 3.60 -0.41 2.72 1.02 -1.26 -1.90 119.74 124.42 1d5v s LYS 64 Ca -0.03 0.75 0.05 0.00 0.02 0.00 0.00 55.97 56.77 1d5v s LYS 64 Cb -0.15 -2.08 0.19 0.00 -0.52 0.00 0.00 37.83 35.27 1d5v s LYS 64 CO -0.00 -0.57 0.39 0.28 -0.92 0.00 0.00 175.35 174.53 1d5v n VAL 65 N -2.74 -1.09 -1.66 3.17 0.31 -0.09 -4.91 118.33 111.33 1d5v n VAL 65 Ca 0.06 -3.54 -0.55 0.00 -0.01 0.00 0.00 64.34 60.30 1d5v n VAL 65 Cb 0.54 -1.70 -0.07 0.00 -0.91 0.00 0.00 33.84 31.70 1d5v n VAL 65 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1d5v n PRO 66 N 2.49 1.18 0.00 5.55 -0.02 -1.26 -2.77 135.00 140.17 1d5v n PRO 66 Ca 0.28 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1d5v n PRO 66 Cb 0.49 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1d5v n PRO 66 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1d5v n ARG 67 N 4.25 0.85 -1.87 -0.52 1.85 -1.25 -4.95 116.66 115.01 1d5v n ARG 67 Ca 0.23 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.68 1d5v n ARG 67 Cb 0.16 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.58 1d5v n ARG 67 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1d5v s ASP 68 N -1.05 6.07 0.53 2.89 -4.77 -1.26 -4.87 116.67 114.21 1d5v s ASP 68 Ca 0.00 2.87 0.32 0.00 -3.30 0.00 0.00 52.55 52.44 1d5v s ASP 68 Cb 0.00 -2.65 1.30 0.00 -1.09 0.00 0.00 42.92 40.48 1d5v s ASP 68 CO 0.00 -1.04 1.97 0.44 0.70 0.00 0.00 175.17 177.24 1d5v h ASP 69 N 2.54 0.00 -1.01 2.11 3.32 -2.01 -2.92 116.42 118.46 1d5v h ASP 69 Ca -0.50 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.55 1d5v h ASP 69 Cb 1.26 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.76 1d5v h ASP 69 CO 0.62 0.06 0.67 0.11 -1.72 0.00 0.00 179.24 178.97 1d5v h LYS 70 N 0.00 1.32 -2.63 3.56 1.57 -2.04 -3.34 116.57 115.02 1d5v h LYS 70 Ca -0.00 -0.08 -0.60 0.00 -1.87 0.00 0.00 60.65 58.10 1d5v h LYS 70 Cb 0.54 -0.30 -0.39 0.00 0.08 0.00 0.00 32.23 32.16 1d5v h LYS 70 CO 0.01 0.88 -0.84 0.21 -0.57 0.00 0.00 179.45 179.13 1d5v s LYS 71 N -6.11 1.28 -0.03 3.15 2.47 -1.10 -4.94 119.74 114.45 1d5v s LYS 71 Ca -0.13 -2.31 0.06 0.00 -1.56 0.00 0.00 55.97 52.04 1d5v s LYS 71 Cb 0.18 -1.98 0.23 0.00 -1.46 0.00 0.00 37.83 34.80 1d5v s LYS 71 CO 0.82 -1.32 1.08 -0.35 0.16 0.00 0.00 175.35 175.74 1d5v n PRO 72 N 2.85 1.79 -0.37 4.03 -0.04 -1.24 -4.26 135.00 137.76 1d5v n PRO 72 Ca 0.23 -0.90 -0.02 0.00 -0.04 0.00 0.00 63.50 62.76 1d5v n PRO 72 Cb 0.42 -1.38 0.11 0.00 -0.04 0.00 0.00 33.50 32.61 1d5v n PRO 72 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1d5v h GLY 73 N 5.21 1.40 0.00 0.55 0.00 -1.92 -0.40 103.07 107.92 1d5v h GLY 73 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1d5v h GLY 73 CO 0.06 0.53 0.00 0.28 0.00 0.00 0.00 176.54 177.40 1d5v n LYS 74 N -4.38 0.90 0.00 4.80 4.01 -1.26 -4.96 118.16 117.27 1d5v n LYS 74 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1d5v n LYS 74 Cb 0.02 -1.00 0.00 0.00 -0.51 0.00 0.00 35.03 33.54 1d5v n LYS 74 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1d5v n GLY 75 N 0.40 3.37 3.15 0.72 0.00 -0.16 -4.68 105.19 107.98 1d5v n GLY 75 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1d5v n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d5v s SER 76 N -4.00 1.68 0.64 1.61 0.01 -1.26 -3.89 113.70 108.48 1d5v s SER 76 Ca 0.00 -0.47 -0.11 0.00 1.31 0.00 0.00 55.95 56.68 1d5v s SER 76 Cb 0.00 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 1d5v s SER 76 CO 0.00 0.03 1.04 -0.31 0.41 0.00 0.00 173.24 174.40 1d5v s TYR 77 N -0.88 3.51 -0.06 2.43 2.02 -1.11 -4.45 117.35 118.80 1d5v s TYR 77 Ca 0.01 1.32 0.04 0.00 -0.37 0.00 0.00 57.07 58.07 1d5v s TYR 77 Cb -0.08 -2.76 -0.02 0.00 -0.40 0.00 0.00 41.96 38.70 1d5v s TYR 77 CO 0.01 -0.81 -0.18 -1.58 -1.57 0.00 0.00 175.55 171.42 1d5v s TRP 78 N -3.15 2.62 0.13 2.71 0.52 0.93 -0.91 118.94 121.79 1d5v s TRP 78 Ca 0.56 -0.40 -0.15 0.00 0.02 0.00 0.00 56.10 56.12 1d5v s TRP 78 Cb -0.12 -1.65 0.03 0.00 -1.15 0.00 0.00 33.47 30.59 1d5v s TRP 78 CO 0.54 -0.00 0.39 -0.08 0.02 0.00 0.00 176.95 177.83 1d5v s THR 79 N -0.39 0.07 -0.09 2.01 -1.32 -0.80 -3.06 115.64 112.05 1d5v s THR 79 Ca 0.04 -0.70 -0.21 0.00 -1.21 0.00 0.00 61.69 59.61 1d5v s THR 79 Cb -0.12 -1.27 -0.04 0.00 -1.51 0.00 0.00 72.50 69.55 1d5v s THR 79 CO 0.02 -0.31 0.60 -0.76 -2.21 0.00 0.00 174.62 171.95 1d5v s LEU 80 N -2.83 4.29 -0.18 9.08 1.43 -1.26 -0.97 118.68 128.25 1d5v s LEU 80 Ca 0.05 1.01 -0.33 0.00 -1.03 0.00 0.00 54.13 53.83 1d5v s LEU 80 Cb 0.02 -2.90 0.14 0.00 0.03 0.00 0.00 46.19 43.48 1d5v s LEU 80 CO -0.10 -0.07 1.16 -1.81 0.23 0.00 0.00 176.35 175.76 1d5v s ASP 81 N 0.73 -0.19 0.19 2.29 1.01 -1.26 -4.94 116.67 114.51 1d5v s ASP 81 Ca 0.32 0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.65 1d5v s ASP 81 Cb -0.16 0.18 0.00 0.00 1.01 0.00 0.00 42.92 43.95 1d5v s ASP 81 CO 0.14 -0.27 0.00 -0.81 0.21 0.00 0.00 175.17 174.45 1d5v n PRO 82 N 0.12 1.20 -1.52 8.23 -0.04 -1.26 -4.59 135.00 137.14 1d5v n PRO 82 Ca -0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 1d5v n PRO 82 Cb 0.59 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.78 6.90 -0.38 3.54 8.00 -1.26 -4.63 116.55 127.94 1d5v n ASP 83 Ca 0.00 -2.99 -0.02 0.00 0.71 0.00 0.00 54.79 52.49 1d5v n ASP 83 Cb 0.00 -1.33 0.11 0.00 -0.02 0.00 0.00 41.12 39.88 1d5v n ASP 83 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1d5v h SER 84 N 3.63 1.15 -0.91 -2.24 0.87 -1.94 -2.43 113.55 111.70 1d5v h SER 84 Ca 0.49 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 61.00 1d5v h SER 84 Cb 0.71 -0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 1d5v h SER 84 CO 1.01 0.83 0.50 0.10 -0.53 0.00 0.00 176.83 178.74 1d5v h TYR 85 N 1.36 1.24 0.00 2.24 -0.00 -2.02 -2.00 116.97 117.80 1d5v h TYR 85 Ca 0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 58.73 59.07 1d5v h TYR 85 Cb -0.15 -0.40 0.00 0.00 -0.00 0.00 0.00 36.73 36.18 1d5v h TYR 85 CO -0.00 0.86 0.00 -0.97 -0.00 0.00 0.00 178.16 178.05 1d5v h ASN 86 N 1.27 0.00 -3.24 0.10 -1.24 -1.83 -3.43 115.58 107.21 1d5v h ASN 86 Ca 0.32 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.74 1d5v h ASN 86 Cb 0.02 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.00 1d5v h ASN 86 CO -0.05 0.00 0.65 -0.04 -1.29 0.00 0.00 177.43 176.69 1d5v s MET 87 N -3.24 4.15 -0.02 6.67 -1.94 -0.75 -4.87 119.30 119.31 1d5v s MET 87 Ca 0.07 1.06 0.08 0.00 -1.71 0.00 0.00 55.69 55.18 1d5v s MET 87 Cb 0.10 -3.67 0.21 0.00 2.01 0.00 0.00 34.83 33.48 1d5v s MET 87 CO 0.51 -0.65 1.17 1.19 -0.01 0.00 0.00 175.02 177.23 1d5v n PHE 88 N 6.31 0.31 -4.25 -0.03 3.72 -1.26 -4.98 117.46 117.27 1d5v n PHE 88 Ca 0.09 -0.55 -0.25 0.00 -0.05 0.00 0.00 57.45 56.68 1d5v n PHE 88 Cb 0.47 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 1d5v n PHE 88 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1d5v n GLU 89 N -0.03 0.86 0.00 -1.08 0.28 -1.26 -4.96 120.64 114.45 1d5v n GLU 89 Ca 0.08 -3.09 0.00 0.00 -0.16 0.00 0.00 57.16 53.99 1d5v n GLU 89 Cb 0.41 0.59 0.03 0.00 1.43 0.00 0.00 31.44 33.90 1d5v n GLU 89 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1d5v n ASN 90 N -1.56 0.00 -0.45 -1.84 5.03 -1.26 -4.76 115.26 110.42 1d5v n ASN 90 Ca -0.10 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.53 1d5v n ASN 90 Cb 0.55 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 1d5v n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1d5v n GLY 91 N -1.13 0.43 3.54 7.41 0.00 -1.26 -4.97 105.19 109.21 1d5v n GLY 91 Ca 0.01 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1d5v n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1d5v s SER 92 N -1.58 6.71 0.23 1.61 0.15 -1.26 -4.80 113.70 114.77 1d5v s SER 92 Ca 0.00 -2.08 -0.08 0.00 0.70 0.00 0.00 55.95 54.50 1d5v s SER 92 Cb 0.00 -2.53 0.22 0.00 -1.71 0.00 0.00 66.02 62.00 1d5v s SER 92 CO 0.00 -1.24 1.91 0.15 1.20 0.00 0.00 173.24 175.26 1d5v h PHE 93 N 8.54 1.14 0.00 3.44 3.04 -2.02 -3.54 116.94 127.55 1d5v h PHE 93 Ca 0.30 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.27 1d5v h PHE 93 Cb 0.94 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1d5v h PHE 93 CO 1.30 0.72 0.00 -0.11 -2.02 0.00 0.00 178.31 178.20