#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 2.31 0.08 3.17 1.43 -1.26 -5.08 118.68 119.33 1d5v s LEU 2 Ca 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1d5v s LEU 2 Cb 0.00 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1d5v s LEU 2 CO 0.00 0.29 -0.05 0.68 0.23 0.00 0.00 176.35 177.51 1d5v s VAL 3 N -0.75 0.46 -0.30 -1.59 -7.23 -1.26 -5.10 120.40 104.63 1d5v s VAL 3 Ca 0.12 -1.87 -0.24 0.00 -1.81 0.00 0.00 61.98 58.17 1d5v s VAL 3 Cb -0.10 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.23 1d5v s VAL 3 CO 0.01 -0.93 0.80 -0.54 -0.31 0.00 0.00 175.10 174.13 1d5v s LYS 4 N -3.88 3.98 0.63 4.82 1.02 -1.26 -4.78 119.74 120.27 1d5v s LYS 4 Ca 0.10 0.62 -0.17 0.00 0.02 0.00 0.00 55.97 56.53 1d5v s LYS 4 Cb 0.07 -3.72 -0.07 0.00 -0.52 0.00 0.00 37.83 33.59 1d5v s LYS 4 CO -0.07 -0.68 0.56 -2.30 -0.92 0.00 0.00 175.35 171.94 1d5v n PRO 5 N 6.22 0.46 0.00 -1.68 -0.02 -1.26 -4.86 135.00 133.86 1d5v n PRO 5 Ca 0.04 0.19 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1d5v n PRO 5 Cb 0.48 -1.78 0.63 0.00 -0.02 0.00 0.00 33.50 32.80 1d5v n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1d5v n PRO 6 N -0.37 0.36 -2.27 0.52 -0.04 -1.26 -4.84 135.00 127.11 1d5v n PRO 6 Ca 0.11 0.05 -0.39 0.00 -0.04 0.00 0.00 63.50 63.23 1d5v n PRO 6 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.56 3.15 0.77 0.54 2.02 -1.26 -5.00 117.35 115.01 1d5v s TYR 7 Ca 0.24 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.37 1d5v s TYR 7 Cb 0.17 -3.47 0.05 0.00 -0.40 0.00 0.00 41.96 38.31 1d5v s TYR 7 CO 0.38 -1.36 1.09 -1.12 -1.57 0.00 0.00 175.55 172.96 1d5v s SER 8 N -0.88 4.57 0.25 2.29 0.01 -1.26 -4.79 113.70 113.89 1d5v s SER 8 Ca 0.52 1.74 -0.06 0.00 1.31 0.00 0.00 55.95 59.46 1d5v s SER 8 Cb -0.34 -2.47 0.26 0.00 0.21 0.00 0.00 66.02 63.68 1d5v s SER 8 CO 0.44 -1.98 1.93 1.88 0.41 0.00 0.00 173.24 175.91 1d5v h TYR 9 N -1.09 1.27 -0.39 2.43 0.05 -1.97 -0.98 116.97 116.28 1d5v h TYR 9 Ca -0.44 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.21 1d5v h TYR 9 Cb 1.23 -0.43 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 1d5v h TYR 9 CO 0.57 0.80 -0.36 0.82 -1.05 0.00 0.00 178.16 178.94 1d5v h ILE 10 N 1.37 1.27 -0.77 -2.88 2.04 -1.98 -3.03 117.51 113.53 1d5v h ILE 10 Ca 0.37 -1.53 0.01 0.00 1.00 0.00 0.00 64.86 64.71 1d5v h ILE 10 Cb -0.16 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1d5v h ILE 10 CO -0.08 0.51 0.51 0.00 0.00 0.00 0.00 178.15 179.09 1d5v h ALA 11 N 0.83 0.97 -1.00 1.87 0.00 -1.68 0.05 119.26 120.30 1d5v h ALA 11 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1d5v h ALA 11 Cb 0.94 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1d5v h ALA 11 CO 0.09 0.38 0.66 -0.07 0.00 0.00 0.00 179.25 180.31 1d5v h LEU 12 N 1.04 1.15 -0.46 0.00 3.38 -1.13 0.26 115.31 119.55 1d5v h LEU 12 Ca 0.28 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 1d5v h LEU 12 Cb -0.12 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.33 1d5v h LEU 12 CO -0.06 0.84 -0.27 0.40 0.09 0.00 0.00 178.44 179.44 1d5v h ILE 13 N 1.36 1.27 -0.67 1.22 2.04 -1.25 -1.93 117.51 119.55 1d5v h ILE 13 Ca 0.37 -1.44 -0.08 0.00 1.00 0.00 0.00 64.86 64.71 1d5v h ILE 13 Cb -0.15 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1d5v h ILE 13 CO -0.08 0.49 0.10 0.74 0.00 0.00 0.00 178.15 179.40 1d5v h THR 14 N 0.84 1.27 -0.29 -0.27 2.02 -0.23 -2.71 112.91 113.53 1d5v h THR 14 Ca 0.10 -1.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.07 1d5v h THR 14 Cb 0.86 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1d5v h THR 14 CO 0.08 0.40 -0.43 0.24 0.37 0.00 0.00 175.52 176.18 1d5v h MET 15 N 1.04 0.73 -0.39 6.66 2.86 -0.88 -2.83 114.93 122.13 1d5v h MET 15 Ca 0.20 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1d5v h MET 15 Cb 0.46 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1d5v h MET 15 CO 0.01 1.02 0.26 0.00 1.06 0.00 0.00 176.91 179.26 1d5v h ALA 16 N 0.93 0.49 -0.04 6.32 0.00 -1.16 1.10 119.26 126.89 1d5v h ALA 16 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1d5v h ALA 16 Cb 0.98 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1d5v h ALA 16 CO 0.09 -0.05 0.03 0.82 0.00 0.00 0.00 179.25 180.14 1d5v h ILE 17 N 0.52 1.01 -0.50 0.00 2.04 -1.46 -1.30 117.51 117.83 1d5v h ILE 17 Ca 0.14 -0.02 -0.12 0.00 1.00 0.00 0.00 64.86 65.86 1d5v h ILE 17 Cb -0.06 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1d5v h ILE 17 CO -0.03 0.01 -0.17 1.56 0.00 0.00 0.00 178.15 179.52 1d5v h GLN 18 N 0.06 0.99 0.00 2.37 4.20 -1.23 -2.72 115.11 118.78 1d5v h GLN 18 Ca 0.02 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1d5v h GLN 18 Cb -0.01 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1d5v h GLN 18 CO -0.01 1.07 0.00 -0.91 -0.67 0.00 0.00 178.83 178.32 1d5v h ASN 19 N 0.86 0.00 -4.07 1.46 -0.26 0.15 -3.43 115.58 110.30 1d5v h ASN 19 Ca 0.12 0.00 -0.45 0.00 -0.56 0.00 0.00 56.30 55.41 1d5v h ASN 19 Cb 0.74 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.00 1d5v h ASN 19 CO 0.06 0.00 0.35 0.00 -1.06 0.00 0.00 177.43 176.78 1d5v s ALA 20 N -3.75 2.99 0.09 -0.83 0.00 -0.51 -4.97 121.76 114.78 1d5v s ALA 20 Ca -0.00 0.45 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 1d5v s ALA 20 Cb 0.10 -3.18 -0.16 0.00 0.00 0.00 0.00 23.12 19.88 1d5v s ALA 20 CO 0.49 -0.00 1.70 -1.00 0.00 0.00 0.00 175.76 176.95 1d5v h PRO 21 N 1.78 -0.28 -5.52 0.00 0.13 -1.85 -3.40 132.00 122.86 1d5v h PRO 21 Ca -0.49 0.02 -0.64 0.00 -0.87 0.00 0.00 66.00 64.01 1d5v h PRO 21 Cb 1.19 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.28 1d5v h PRO 21 CO 0.60 -0.19 -0.50 -1.21 -0.23 0.00 0.00 178.00 176.47 1d5v s GLU 22 N -6.15 3.68 0.57 0.86 0.41 -1.26 -4.96 118.70 111.85 1d5v s GLU 22 Ca -0.14 -0.20 0.37 0.00 -0.41 0.00 0.00 54.97 54.59 1d5v s GLU 22 Cb 0.05 -3.23 1.83 0.00 -1.78 0.00 0.00 34.13 31.00 1d5v s GLU 22 CO 0.65 0.58 2.12 0.87 -0.49 0.00 0.00 175.26 178.99 1d5v h LYS 23 N 5.67 0.00 -6.29 1.61 1.57 -1.79 -3.41 116.57 113.93 1d5v h LYS 23 Ca -0.49 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.74 1d5v h LYS 23 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 1d5v h LYS 23 CO 0.64 0.00 0.56 0.15 -0.57 0.00 0.00 179.45 180.23 1d5v s LYS 24 N -3.86 4.43 0.01 3.15 1.02 -1.26 -4.21 119.74 119.03 1d5v s LYS 24 Ca -0.02 1.45 -0.15 0.00 0.02 0.00 0.00 55.97 57.27 1d5v s LYS 24 Cb 0.11 -3.53 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 1d5v s LYS 24 CO 0.44 -0.30 0.32 -1.50 -0.92 0.00 0.00 175.35 173.39 1d5v s ILE 25 N 1.88 0.07 0.60 2.17 2.07 -1.15 -4.86 121.20 121.98 1d5v s ILE 25 Ca 0.50 -0.54 -0.12 0.00 -1.41 0.00 0.00 60.65 59.08 1d5v s ILE 25 Cb -0.20 -0.77 -0.05 0.00 0.13 0.00 0.00 42.46 41.57 1d5v s ILE 25 CO 0.20 -0.30 1.02 0.42 -1.91 0.00 0.00 174.94 174.37 1d5v s THR 26 N -1.87 4.67 0.20 4.00 -4.23 -1.26 -1.54 115.64 115.61 1d5v s THR 26 Ca -0.10 0.96 -0.11 0.00 -1.18 0.00 0.00 61.69 61.26 1d5v s THR 26 Cb -0.03 -3.83 0.14 0.00 1.34 0.00 0.00 72.50 70.11 1d5v s THR 26 CO 0.01 -1.04 1.87 0.25 -0.54 0.00 0.00 174.62 175.17 1d5v h LEU 27 N -0.04 0.81 -0.83 4.79 5.85 -1.90 -2.01 115.31 121.97 1d5v h LEU 27 Ca -0.45 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 1d5v h LEU 27 Cb 1.19 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1d5v h LEU 27 CO 0.62 0.59 0.37 0.78 -0.34 0.00 0.00 178.44 180.46 1d5v h ASN 28 N 0.96 1.12 -0.76 1.25 -0.26 -1.97 -2.48 115.58 113.43 1d5v h ASN 28 Ca 0.26 -0.15 0.02 0.00 -0.56 0.00 0.00 56.30 55.87 1d5v h ASN 28 Cb -0.10 -0.29 -0.04 0.00 -1.06 0.00 0.00 38.32 36.83 1d5v h ASN 28 CO -0.06 0.96 0.50 1.23 -1.06 0.00 0.00 177.43 179.01 1d5v h GLY 29 N 1.20 1.07 1.02 2.83 0.00 -1.74 -1.88 103.07 105.56 1d5v h GLY 29 Ca 0.28 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.24 1d5v h GLY 29 CO -0.03 0.35 0.64 -2.22 0.00 0.00 0.00 176.54 175.28 1d5v h ILE 30 N 0.97 1.26 -0.69 2.60 2.04 -1.05 -2.41 117.51 120.24 1d5v h ILE 30 Ca 0.29 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1d5v h ILE 30 Cb -0.02 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 35.84 1d5v h ILE 30 CO -0.08 0.26 0.17 1.88 0.00 0.00 0.00 178.15 180.38 1d5v h TYR 31 N 1.35 1.14 -0.96 1.37 0.05 -1.31 -2.62 116.97 116.00 1d5v h TYR 31 Ca 0.36 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 59.02 1d5v h TYR 31 Cb -0.13 -0.33 -0.05 0.00 1.01 0.00 0.00 36.73 37.23 1d5v h TYR 31 CO 0.00 0.93 0.63 0.37 -1.05 0.00 0.00 178.16 179.04 1d5v h GLN 32 N 1.04 1.25 0.00 4.88 5.75 -1.27 -2.29 115.11 124.47 1d5v h GLN 32 Ca 0.22 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1d5v h GLN 32 Cb 0.35 -0.28 0.00 0.00 1.07 0.00 0.00 27.48 28.62 1d5v h GLN 32 CO 0.00 0.83 -0.00 0.35 -2.65 0.00 0.00 178.83 177.36 1d5v h PHE 33 N 1.29 -0.01 0.02 3.99 3.57 -1.22 -2.53 116.94 122.06 1d5v h PHE 33 Ca 0.35 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 1d5v h PHE 33 Cb -0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1d5v h PHE 33 CO -0.00 0.09 -0.01 0.82 -2.23 0.00 0.00 178.31 176.98 1d5v h ILE 34 N -0.10 1.01 -0.96 1.41 2.04 -1.17 -2.03 117.51 117.71 1d5v h ILE 34 Ca -0.00 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1d5v h ILE 34 Cb 0.10 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1d5v h ILE 34 CO 0.00 0.02 0.60 0.24 0.00 0.00 0.00 178.15 179.01 1d5v h MET 35 N -0.05 1.29 -0.10 2.37 2.86 -1.45 0.07 114.93 119.92 1d5v h MET 35 Ca -0.00 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1d5v h MET 35 Cb 0.05 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 31.43 1d5v h MET 35 CO 0.00 0.89 0.01 -0.44 1.06 0.00 0.00 176.91 178.44 1d5v h ASP 36 N 1.32 0.16 -0.26 1.22 3.32 -1.27 -3.19 116.42 117.72 1d5v h ASP 36 Ca 0.35 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1d5v h ASP 36 Cb -0.08 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1d5v h ASP 36 CO -0.07 0.39 -0.25 0.03 -1.72 0.00 0.00 179.24 177.62 1d5v h ARG 37 N -0.07 0.63 -4.86 3.56 2.47 -1.22 -3.40 114.38 111.48 1d5v h ARG 37 Ca 0.03 -0.33 -0.67 0.00 -1.26 0.00 0.00 59.98 57.75 1d5v h ARG 37 Cb 0.30 0.01 -0.34 0.00 -1.65 0.00 0.00 29.97 28.28 1d5v h ARG 37 CO 0.00 0.93 -0.76 -0.06 0.56 0.00 0.00 179.97 180.64 1d5v s PHE 38 N -4.35 3.18 -1.42 3.04 0.08 -0.00 -4.98 117.98 113.52 1d5v s PHE 38 Ca -0.13 -1.97 0.29 0.00 0.12 0.00 0.00 56.93 55.24 1d5v s PHE 38 Cb 0.08 -2.01 1.45 0.00 -0.57 0.00 0.00 43.02 41.97 1d5v s PHE 38 CO 0.81 -0.82 1.99 -0.35 -0.10 0.00 0.00 175.22 176.76 1d5v n PRO 39 N 4.56 0.40 -0.26 0.24 -0.04 -1.21 -3.66 135.00 135.03 1d5v n PRO 39 Ca -0.15 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1d5v n PRO 39 Cb 0.44 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.03 0.00 0.54 3.57 -1.86 -1.44 116.94 118.78 1d5v h PHE 40 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1d5v h PHE 40 Cb 0.27 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1d5v h PHE 40 CO 0.00 0.65 -0.16 1.88 -2.23 0.00 0.00 178.31 178.45 1d5v h TYR 41 N 1.11 0.00 -0.97 0.41 0.05 -1.86 -2.96 116.97 112.75 1d5v h TYR 41 Ca 0.30 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.09 1d5v h TYR 41 Cb -0.13 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.56 1d5v h TYR 41 CO 0.00 0.16 0.65 0.00 -1.05 0.00 0.00 178.16 177.92 1d5v h ARG 42 N 0.00 1.28 -0.76 4.88 3.08 -1.48 -2.33 114.38 119.04 1d5v h ARG 42 Ca -0.00 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1d5v h ARG 42 Cb 0.62 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1d5v h ARG 42 CO 0.02 0.85 0.36 1.49 -1.07 0.00 0.00 179.97 181.62 1d5v h GLU 43 N 1.32 1.10 -4.39 0.04 4.57 -1.59 -3.36 114.58 112.27 1d5v h GLU 43 Ca 0.36 -0.17 -0.68 0.00 -1.18 0.00 0.00 59.36 57.69 1d5v h GLU 43 Cb -0.15 -0.20 -0.36 0.00 -0.16 0.00 0.00 28.75 27.88 1d5v h GLU 43 CO -0.08 0.86 -0.58 1.21 -1.18 0.00 0.00 179.01 179.25 1d5v s ASN 44 N -6.20 5.09 0.02 1.04 2.47 -0.88 -4.92 114.94 111.56 1d5v s ASN 44 Ca -0.13 -2.20 0.06 0.00 0.42 0.00 0.00 52.86 51.02 1d5v s ASN 44 Cb 0.15 -1.77 -0.24 0.00 -1.45 0.00 0.00 41.25 37.94 1d5v s ASN 44 CO 0.82 -0.47 0.91 0.11 -3.72 0.00 0.00 177.10 174.75 1d5v h LYS 45 N 7.76 0.07 -6.32 0.43 1.57 -1.72 -3.44 116.57 114.93 1d5v h LYS 45 Ca -0.09 -0.12 -0.56 0.00 -1.87 0.00 0.00 60.65 58.00 1d5v h LYS 45 Cb 1.02 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 1d5v h LYS 45 CO 0.66 0.85 -0.09 -0.65 -0.57 0.00 0.00 179.45 179.64 1d5v s GLN 46 N -2.64 3.97 0.00 3.15 -1.52 -1.26 -4.05 119.66 117.31 1d5v s GLN 46 Ca -0.04 0.48 0.00 0.00 -1.95 0.00 0.00 55.36 53.85 1d5v s GLN 46 Cb 0.08 -2.93 0.00 0.00 -0.22 0.00 0.00 33.01 29.94 1d5v s GLN 46 CO 0.83 0.48 0.00 0.41 -0.25 0.00 0.00 175.29 176.76 1d5v n GLY 47 N 0.79 2.44 0.18 3.09 0.00 -1.26 -4.77 105.19 105.66 1d5v n GLY 47 Ca -0.05 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 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 0.53 -0.88 1.61 5.08 -1.85 -3.25 115.95 117.19 1d5v h TRP 48 Ca 0.00 -0.23 -0.00 0.00 1.08 0.00 0.00 58.89 59.74 1d5v h TRP 48 Cb 0.00 -0.08 -0.04 0.00 -3.00 0.00 0.00 29.16 26.03 1d5v h TRP 48 CO 0.00 0.97 0.55 1.96 -1.28 0.00 0.00 178.44 180.64 1d5v h GLN 49 N 0.28 1.19 -0.74 0.12 4.20 -1.86 -2.60 115.11 115.70 1d5v h GLN 49 Ca -0.02 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1d5v h GLN 49 Cb 1.26 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 1d5v h GLN 49 CO 0.12 0.82 0.21 -0.91 -0.67 0.00 0.00 178.83 178.40 1d5v h ASN 50 N 1.21 1.09 -0.96 1.46 -0.26 -1.89 -2.94 115.58 113.30 1d5v h ASN 50 Ca 0.32 -0.22 -0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1d5v h ASN 50 Cb -0.08 -0.29 -0.05 0.00 -1.06 0.00 0.00 38.32 36.85 1d5v h ASN 50 CO -0.06 1.03 0.58 0.28 -1.06 0.00 0.00 177.43 178.19 1d5v h SER 51 N 1.11 1.15 -0.20 5.81 0.02 -1.51 -1.51 113.55 118.41 1d5v h SER 51 Ca 0.23 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1d5v h SER 51 Cb 0.34 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1d5v h SER 51 CO -0.00 0.87 0.13 0.40 -1.14 0.00 0.00 176.83 177.09 1d5v h ILE 52 N 1.32 1.06 -0.30 3.27 1.08 -1.33 -1.95 117.51 120.66 1d5v h ILE 52 Ca 0.34 -0.11 -0.15 0.00 -0.39 0.00 0.00 64.86 64.55 1d5v h ILE 52 Cb -0.06 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1d5v h ILE 52 CO -0.07 0.06 -0.42 0.03 -0.69 0.00 0.00 178.15 177.06 1d5v h ARG 53 N 0.27 0.73 -0.82 2.37 3.08 -1.48 -2.92 114.38 115.61 1d5v h ARG 53 Ca 0.07 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 59.75 1d5v h ARG 53 Cb -0.02 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1d5v h ARG 53 CO -0.02 1.01 0.54 1.25 -1.07 0.00 0.00 179.97 181.68 1d5v h HIS 54 N 0.59 1.03 -0.74 3.04 2.76 -1.05 -2.05 115.15 118.74 1d5v h HIS 54 Ca 0.05 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 1d5v h HIS 54 Cb 0.96 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 29.54 1d5v h HIS 54 CO 0.05 0.65 0.22 -0.91 -1.30 0.00 0.00 177.93 176.64 1d5v h ASN 55 N 1.11 1.10 -0.92 3.26 -0.26 -1.28 -2.51 115.58 116.07 1d5v h ASN 55 Ca 0.30 -0.22 0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1d5v h ASN 55 Cb -0.13 -0.29 -0.05 0.00 -1.06 0.00 0.00 38.32 36.80 1d5v h ASN 55 CO -0.07 1.02 0.61 -0.07 -1.06 0.00 0.00 177.43 177.87 1d5v h LEU 56 N 1.11 1.06 -0.23 1.61 3.38 -1.19 0.18 115.31 121.23 1d5v h LEU 56 Ca 0.24 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1d5v h LEU 56 Cb 0.33 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1d5v h LEU 56 CO -0.00 0.77 -0.17 0.77 0.09 0.00 0.00 178.44 179.90 1d5v h SER 57 N 1.25 0.55 -0.37 -0.43 4.64 -1.20 -3.22 113.55 114.77 1d5v h SER 57 Ca 0.34 -0.44 -0.17 0.00 -0.47 0.00 0.00 61.79 61.05 1d5v h SER 57 Cb -0.15 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 61.79 1d5v h SER 57 CO -0.07 0.87 -0.42 -0.07 -0.87 0.00 0.00 176.83 176.27 1d5v h LEU 58 N 0.22 1.01 -9.01 5.97 3.38 -1.23 -3.41 115.31 112.24 1d5v h LEU 58 Ca 0.04 -0.48 -0.57 0.00 0.09 0.00 0.00 57.88 56.97 1d5v h LEU 58 Cb 0.69 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1d5v h LEU 58 CO 0.04 1.28 0.98 0.20 0.09 0.00 0.00 178.44 181.04 1d5v s ASN 59 N -6.86 6.68 0.00 -0.43 0.01 0.60 -4.86 114.94 110.09 1d5v s ASN 59 Ca -0.11 1.38 0.27 0.00 -0.71 0.00 0.00 52.86 53.69 1d5v s ASN 59 Cb 0.11 -2.54 0.79 0.00 0.41 0.00 0.00 41.25 40.02 1d5v s ASN 59 CO 0.89 -1.04 1.59 -0.62 -1.51 0.00 0.00 177.10 176.40 1d5v n GLU 60 N 7.22 1.12 0.22 -0.60 1.02 -1.26 -3.94 120.64 124.42 1d5v n GLU 60 Ca 0.15 -0.68 0.15 0.00 -0.02 0.00 0.00 57.16 56.76 1d5v n GLU 60 Cb 0.46 -1.49 0.61 0.00 -0.02 0.00 0.00 31.44 31.01 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 -3.53 3.29 -0.16 0.00 0.08 -1.25 -4.89 117.98 111.51 1d5v s PHE 62 Ca 0.02 1.50 -0.03 0.00 0.12 0.00 0.00 56.93 58.54 1d5v s PHE 62 Cb 0.09 -2.87 -0.02 0.00 -0.57 0.00 0.00 43.02 39.65 1d5v s PHE 62 CO 0.48 -0.54 -0.05 0.08 -0.10 0.00 0.00 175.22 175.09 1d5v s VAL 63 N -2.48 3.72 -0.34 -0.44 1.01 -0.87 -5.02 120.40 115.98 1d5v s VAL 63 Ca 0.61 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1d5v s VAL 63 Cb -0.12 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1d5v s VAL 63 CO 0.29 0.48 0.37 -0.54 0.00 0.00 0.00 175.10 175.71 1d5v s LYS 64 N 0.56 3.60 -0.23 2.72 1.02 -1.26 -3.18 119.74 122.96 1d5v s LYS 64 Ca -0.03 -0.37 -0.03 0.00 0.02 0.00 0.00 55.97 55.55 1d5v s LYS 64 Cb -0.15 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.37 1d5v s LYS 64 CO 0.03 -0.52 -0.04 0.08 -0.92 0.00 0.00 175.35 173.98 1d5v s VAL 65 N 2.05 3.25 0.00 3.17 1.01 -0.66 -4.95 120.40 124.26 1d5v s VAL 65 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1d5v s VAL 65 Cb -0.16 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1d5v s VAL 65 CO 0.12 0.35 0.00 -0.81 0.00 0.00 0.00 175.10 174.75 1d5v n PRO 66 N 4.77 -0.12 -0.95 2.72 -0.04 -1.26 0.12 135.00 140.23 1d5v n PRO 66 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1d5v n PRO 66 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1d5v n PRO 66 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1d5v n ARG 67 N -1.04 0.05 -2.22 0.54 1.85 -1.26 -4.62 116.66 109.96 1d5v n ARG 67 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 1d5v n ARG 67 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1d5v n ARG 67 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1d5v s ASP 68 N 0.05 6.02 0.09 2.89 1.01 -1.26 -4.88 116.67 120.58 1d5v s ASP 68 Ca 0.00 2.31 0.18 0.00 0.71 0.00 0.00 52.55 55.75 1d5v s ASP 68 Cb 0.00 -2.60 0.74 0.00 1.01 0.00 0.00 42.92 42.07 1d5v s ASP 68 CO 0.00 -1.02 1.55 0.47 0.21 0.00 0.00 175.17 176.38 1d5v n ASP 69 N -0.68 0.23 -0.31 0.27 8.00 -1.26 -3.08 116.55 119.72 1d5v n ASP 69 Ca 0.08 0.56 -0.01 0.00 0.71 0.00 0.00 54.79 56.13 1d5v n ASP 69 Cb 0.48 -0.60 0.17 0.00 -0.02 0.00 0.00 41.12 41.15 1d5v n ASP 69 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1d5v h LYS 70 N 0.00 1.18 -3.03 -1.24 1.57 -2.05 -3.32 116.57 109.68 1d5v h LYS 70 Ca 0.00 -0.07 -0.62 0.00 -1.87 0.00 0.00 60.65 58.09 1d5v h LYS 70 Cb 0.29 -0.27 -0.41 0.00 0.08 0.00 0.00 32.23 31.92 1d5v h LYS 70 CO 0.00 0.78 -0.62 0.15 -0.57 0.00 0.00 179.45 179.19 1d5v s LYS 71 N -6.00 2.24 0.00 3.15 1.02 -1.18 -4.90 119.74 114.09 1d5v s LYS 71 Ca -0.12 -3.14 0.31 0.00 0.02 0.00 0.00 55.97 53.04 1d5v s LYS 71 Cb 0.18 -3.18 1.72 0.00 -0.52 0.00 0.00 37.83 36.02 1d5v s LYS 71 CO 0.80 -1.28 2.12 -0.35 -0.92 0.00 0.00 175.35 175.73 1d5v n PRO 72 N 2.17 1.06 -0.16 -1.68 -0.04 -1.25 -3.78 135.00 131.32 1d5v n PRO 72 Ca 0.19 -0.16 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1d5v n PRO 72 Cb 0.36 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 4.98 0.87 -3.64 0.55 0.00 -1.93 -3.42 103.07 100.47 1d5v h GLY 73 Ca 0.00 -0.61 -0.49 0.00 0.00 0.00 0.00 47.33 46.23 1d5v h GLY 73 CO 0.00 0.56 0.41 0.54 0.00 0.00 0.00 176.54 178.05 1d5v s LYS 74 N -5.09 4.69 1.01 4.80 1.02 -1.25 -5.03 119.74 119.88 1d5v s LYS 74 Ca -0.13 1.61 -0.17 0.00 0.02 0.00 0.00 55.97 57.31 1d5v s LYS 74 Cb 0.11 -3.15 0.25 0.00 -0.52 0.00 0.00 37.83 34.53 1d5v s LYS 74 CO 0.81 0.32 0.80 0.41 -0.92 0.00 0.00 175.35 176.76 1d5v n GLY 75 N 1.20 -3.05 3.87 -3.33 0.00 -1.26 -4.99 105.19 97.62 1d5v n GLY 75 Ca -0.01 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.52 6.25 0.55 1.61 0.01 -1.26 -4.88 113.70 112.46 1d5v s SER 76 Ca 0.54 1.41 -0.19 0.00 1.31 0.00 0.00 55.95 59.02 1d5v s SER 76 Cb -0.06 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 1d5v s SER 76 CO 0.42 -0.84 1.11 -0.31 0.41 0.00 0.00 173.24 174.03 1d5v s TYR 77 N -3.13 2.74 -0.09 2.43 2.02 0.34 -4.45 117.35 117.20 1d5v s TYR 77 Ca 0.55 1.55 0.04 0.00 -0.37 0.00 0.00 57.07 58.84 1d5v s TYR 77 Cb -0.11 -3.22 0.00 0.00 -0.40 0.00 0.00 41.96 38.23 1d5v s TYR 77 CO 0.53 -1.43 -0.23 -1.58 -1.57 0.00 0.00 175.55 171.26 1d5v s TRP 78 N -1.93 2.42 0.21 2.71 0.52 -0.59 -1.65 118.94 120.64 1d5v s TRP 78 Ca 0.70 -0.95 -0.22 0.00 0.02 0.00 0.00 56.10 55.65 1d5v s TRP 78 Cb -0.22 -1.62 0.05 0.00 -1.15 0.00 0.00 33.47 30.53 1d5v s TRP 78 CO 0.28 -0.38 0.65 -0.08 0.02 0.00 0.00 176.95 177.44 1d5v s THR 79 N 0.31 0.00 -0.97 2.01 -1.32 -1.19 -2.94 115.64 111.54 1d5v s THR 79 Ca -0.17 -0.43 -0.01 0.00 -1.21 0.00 0.00 61.69 59.87 1d5v s THR 79 Cb -0.17 -1.43 0.31 0.00 -1.51 0.00 0.00 72.50 69.70 1d5v s THR 79 CO 0.08 -0.00 1.48 0.18 -2.21 0.00 0.00 174.62 174.15 1d5v n LEU 80 N -0.41 6.30 -3.10 9.08 4.77 -1.26 -2.04 117.00 130.34 1d5v n LEU 80 Ca -0.11 -5.35 -0.12 0.00 -0.03 0.00 0.00 56.01 50.41 1d5v n LEU 80 Cb 0.62 -1.11 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 1d5v n LEU 80 CO 0.13 1.92 -0.05 -1.81 -1.33 0.00 0.00 177.39 176.26 1d5v s ASP 81 N -1.87 -0.24 0.00 -1.43 1.01 -1.26 -5.02 116.67 107.86 1d5v s ASP 81 Ca 0.36 -1.90 0.00 0.00 0.71 0.00 0.00 52.55 51.73 1d5v s ASP 81 Cb 0.13 1.07 0.00 0.00 1.01 0.00 0.00 42.92 45.13 1d5v s ASP 81 CO -0.01 -0.14 0.63 -2.65 0.21 0.00 0.00 175.17 173.22 1d5v n PRO 82 N 3.39 0.00 -2.70 8.23 -0.02 -1.26 -4.72 135.00 137.91 1d5v n PRO 82 Ca 0.19 0.21 -0.02 0.00 -2.02 0.00 0.00 63.50 61.85 1d5v n PRO 82 Cb 0.52 -1.13 0.11 0.00 -0.02 0.00 0.00 33.50 32.97 1d5v n PRO 82 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1d5v n ASP 83 N -1.00 -0.87 -0.37 2.55 8.00 -1.26 -4.97 116.55 118.64 1d5v n ASP 83 Ca 0.00 -2.23 -0.02 0.00 0.71 0.00 0.00 54.79 53.25 1d5v n ASP 83 Cb 0.00 0.47 0.12 0.00 -0.02 0.00 0.00 41.12 41.69 1d5v n ASP 83 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1d5v h SER 84 N 1.49 1.14 -0.24 -2.24 0.02 -1.96 -1.61 113.55 110.15 1d5v h SER 84 Ca -0.36 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 60.63 1d5v h SER 84 Cb 1.29 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1d5v h SER 84 CO -0.08 0.82 0.18 1.88 -1.14 0.00 0.00 176.83 178.49 1d5v h TYR 85 N 1.34 0.00 0.00 3.45 -1.99 -1.96 0.33 116.97 118.14 1d5v h TYR 85 Ca 0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.09 1d5v h TYR 85 Cb -0.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.58 1d5v h TYR 85 CO -0.00 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.25 1d5v n ASN 86 N -4.40 0.00 -4.47 3.88 3.02 -0.61 -4.57 115.26 108.12 1d5v n ASN 86 Ca 0.03 0.14 -0.43 0.00 -0.03 0.00 0.00 54.58 54.28 1d5v n ASN 86 Cb 0.33 -0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 1d5v n ASN 86 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1d5v s MET 87 N -2.74 3.18 0.00 3.52 -1.94 0.12 -4.86 119.30 116.58 1d5v s MET 87 Ca 0.20 -0.71 0.27 0.00 -1.71 0.00 0.00 55.69 53.74 1d5v s MET 87 Cb 0.18 -4.12 0.79 0.00 2.01 0.00 0.00 34.83 33.69 1d5v s MET 87 CO 0.43 -1.43 1.60 1.97 -0.01 0.00 0.00 175.02 177.58 1d5v n PHE 88 N 6.85 0.00 -3.82 -0.03 -1.74 -1.26 -4.90 117.46 112.56 1d5v n PHE 88 Ca -0.04 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.59 1d5v n PHE 88 Cb 0.46 -0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.43 1d5v n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1d5v s GLU 89 N -2.01 3.47 -0.01 3.97 2.02 -1.26 -4.99 118.70 119.90 1d5v s GLU 89 Ca 0.35 -0.50 0.12 0.00 0.02 0.00 0.00 54.97 54.95 1d5v s GLU 89 Cb 0.21 -2.89 0.36 0.00 0.10 0.00 0.00 34.13 31.90 1d5v s GLU 89 CO 0.33 0.44 1.28 0.27 0.02 0.00 0.00 175.26 177.60 1d5v n ASN 90 N -0.75 2.22 0.00 -0.19 6.94 -1.26 -4.55 115.26 117.67 1d5v n ASN 90 Ca -0.06 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 1d5v n ASN 90 Cb 0.54 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 1d5v n ASN 90 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1d5v n GLY 91 N 1.07 -1.87 0.02 4.83 0.00 -1.26 -5.02 105.19 102.95 1d5v n GLY 91 Ca 0.13 0.84 -0.01 0.00 0.00 0.00 0.00 46.02 46.99 1d5v n GLY 91 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1d5v h SER 92 N 0.00 -0.03 0.49 1.61 0.87 -2.00 -3.35 113.55 111.14 1d5v h SER 92 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1d5v h SER 92 Cb 0.00 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1d5v h SER 92 CO 0.00 -0.00 -0.66 0.15 -0.53 0.00 0.00 176.83 175.79 1d5v h PHE 93 N -0.08 0.20 0.00 2.24 3.04 -1.98 -3.53 116.94 116.82 1d5v h PHE 93 Ca -0.00 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1d5v h PHE 93 Cb 0.03 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1d5v h PHE 93 CO 0.08 0.77 0.00 1.28 -2.02 0.00 0.00 178.31 178.42