#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 3.77 -0.00 4.03 1.43 -1.26 -5.11 118.68 121.54 1d5v s LEU 2 Ca 0.00 0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.26 1d5v s LEU 2 Cb 0.00 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 1d5v s LEU 2 CO 0.00 0.39 0.11 0.68 0.23 0.00 0.00 176.35 177.76 1d5v s VAL 3 N -0.92 0.08 0.53 -1.59 -7.23 -1.26 -5.10 120.40 104.90 1d5v s VAL 3 Ca 0.14 -0.64 -0.20 0.00 -1.81 0.00 0.00 61.98 59.47 1d5v s VAL 3 Cb -0.11 -0.38 -0.06 0.00 0.56 0.00 0.00 36.38 36.38 1d5v s VAL 3 CO 0.03 -0.35 1.11 -0.54 -0.31 0.00 0.00 175.10 175.03 1d5v s LYS 4 N -1.22 3.46 0.66 4.82 -0.14 -1.26 -4.92 119.74 121.13 1d5v s LYS 4 Ca -0.13 1.56 -0.11 0.00 -1.36 0.00 0.00 55.97 55.93 1d5v s LYS 4 Cb -0.07 -2.03 -0.02 0.00 -1.68 0.00 0.00 37.83 34.03 1d5v s LYS 4 CO 0.01 -0.75 1.05 -1.25 -0.76 0.00 0.00 175.35 173.64 1d5v s PRO 5 N -3.27 3.29 0.00 -1.68 0.04 -1.26 -4.93 135.00 127.19 1d5v s PRO 5 Ca 0.72 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1d5v s PRO 5 Cb -0.22 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1d5v s PRO 5 CO 0.25 -0.81 0.56 -0.35 0.04 0.00 0.00 177.00 176.69 1d5v n PRO 6 N -2.92 0.67 -3.89 0.56 -0.04 -1.26 -4.80 135.00 123.32 1d5v n PRO 6 Ca 0.07 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.16 1d5v n PRO 6 Cb 0.54 -1.22 -0.07 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.12 3.53 0.79 0.54 2.02 -1.26 -5.09 117.35 117.75 1d5v s TYR 7 Ca 0.00 0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 57.04 1d5v s TYR 7 Cb 0.00 -1.97 0.06 0.00 -0.40 0.00 0.00 41.96 39.65 1d5v s TYR 7 CO 0.00 0.63 1.12 -1.12 -1.57 0.00 0.00 175.55 174.60 1d5v s SER 8 N -0.73 4.67 0.31 2.29 0.01 -1.26 -4.80 113.70 114.18 1d5v s SER 8 Ca 0.13 1.10 -0.01 0.00 1.31 0.00 0.00 55.95 58.48 1d5v s SER 8 Cb -0.12 -1.79 0.48 0.00 0.21 0.00 0.00 66.02 64.80 1d5v s SER 8 CO 0.03 -1.83 1.98 1.88 0.41 0.00 0.00 173.24 175.70 1d5v h TYR 9 N -1.00 1.00 -0.33 2.43 0.05 -1.99 -1.10 116.97 116.04 1d5v h TYR 9 Ca -0.47 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.33 1d5v h TYR 9 Cb 1.28 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.67 1d5v h TYR 9 CO 0.42 0.63 0.19 0.82 -1.05 0.00 0.00 178.16 179.17 1d5v h ILE 10 N 1.07 1.12 -0.57 -2.88 1.08 -2.00 -2.20 117.51 113.14 1d5v h ILE 10 Ca 0.29 -0.30 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 1d5v h ILE 10 Cb -0.12 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 1d5v h ILE 10 CO -0.06 0.12 0.11 0.00 -0.69 0.00 0.00 178.15 177.62 1d5v h ALA 11 N 1.07 0.76 -1.00 1.87 0.00 -1.72 -1.21 119.26 119.03 1d5v h ALA 11 Ca 0.12 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1d5v h ALA 11 Cb 0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1d5v h ALA 11 CO -0.02 0.50 0.67 -0.07 0.00 0.00 0.00 179.25 180.32 1d5v h LEU 12 N 0.84 1.15 -0.34 0.00 3.38 -1.02 0.84 115.31 120.16 1d5v h LEU 12 Ca 0.18 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1d5v h LEU 12 Cb 0.40 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1d5v h LEU 12 CO 0.01 0.83 0.04 0.40 0.09 0.00 0.00 178.44 179.81 1d5v h ILE 13 N 1.36 1.24 -0.53 1.22 2.04 -1.10 -0.80 117.51 120.94 1d5v h ILE 13 Ca 0.37 -0.86 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 1d5v h ILE 13 Cb -0.15 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1d5v h ILE 13 CO -0.08 0.29 -0.13 0.74 0.00 0.00 0.00 178.15 178.96 1d5v h THR 14 N 0.41 1.27 -0.58 -0.27 2.02 -0.22 -2.50 112.91 113.03 1d5v h THR 14 Ca 0.10 -1.30 -0.11 0.00 0.77 0.00 0.00 66.41 65.88 1d5v h THR 14 Cb 0.38 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1d5v h THR 14 CO 0.01 0.46 -0.06 0.24 0.37 0.00 0.00 175.52 176.54 1d5v h MET 15 N 0.91 1.06 0.00 6.66 2.86 0.80 -2.10 114.93 125.12 1d5v h MET 15 Ca 0.13 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1d5v h MET 15 Cb 0.71 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1d5v h MET 15 CO 0.05 1.06 -0.00 0.00 1.06 0.00 0.00 176.91 179.09 1d5v h ALA 16 N 0.97 -0.01 0.00 6.32 0.00 -1.01 0.69 119.26 126.23 1d5v h ALA 16 Ca 0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1d5v h ALA 16 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1d5v h ALA 16 CO 0.04 -0.50 -0.00 0.82 0.00 0.00 0.00 179.25 179.61 1d5v h ILE 17 N -0.01 1.02 -0.65 0.00 2.04 -1.38 0.70 117.51 119.23 1d5v h ILE 17 Ca -0.00 -0.05 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 1d5v h ILE 17 Cb 0.01 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1d5v h ILE 17 CO 0.00 0.01 0.06 1.56 0.00 0.00 0.00 178.15 179.79 1d5v h GLN 18 N -0.02 1.11 -0.01 2.37 4.20 -1.22 -2.28 115.11 119.26 1d5v h GLN 18 Ca -0.00 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1d5v h GLN 18 Cb 0.02 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1d5v h GLN 18 CO 0.00 1.04 0.00 0.09 -0.67 0.00 0.00 178.83 179.29 1d5v n ASN 19 N -4.20 0.32 -4.81 1.46 3.02 0.24 -4.83 115.26 106.47 1d5v n ASN 19 Ca 0.04 -1.22 -0.34 0.00 -0.03 0.00 0.00 54.58 53.03 1d5v n ASN 19 Cb 0.32 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.42 1d5v n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d5v s ALA 20 N -1.99 3.02 0.44 5.41 0.00 0.22 -4.93 121.76 123.94 1d5v s ALA 20 Ca 0.41 0.49 0.11 0.00 0.00 0.00 0.00 51.96 52.96 1d5v s ALA 20 Cb 0.19 -3.19 0.97 0.00 0.00 0.00 0.00 23.12 21.10 1d5v s ALA 20 CO 0.32 0.00 2.05 -1.00 0.00 0.00 0.00 175.76 177.14 1d5v h PRO 21 N 2.02 0.29 -6.00 0.00 0.13 -1.88 -3.41 132.00 123.14 1d5v h PRO 21 Ca -0.49 -0.03 -0.60 0.00 -0.87 0.00 0.00 66.00 64.01 1d5v h PRO 21 Cb 1.19 -0.06 -0.30 0.00 0.13 0.00 0.00 31.00 31.97 1d5v h PRO 21 CO 0.61 0.25 -0.85 -1.21 -0.23 0.00 0.00 178.00 176.56 1d5v s GLU 22 N -5.16 1.67 0.28 0.86 0.41 -1.26 -5.02 118.70 110.47 1d5v s GLU 22 Ca -0.06 -0.73 -0.04 0.00 -0.41 0.00 0.00 54.97 53.72 1d5v s GLU 22 Cb 0.17 -1.61 0.36 0.00 -1.78 0.00 0.00 34.13 31.27 1d5v s GLU 22 CO 0.71 0.44 1.95 -0.22 -0.49 0.00 0.00 175.26 177.65 1d5v h LYS 23 N 5.63 1.19 -6.11 1.61 1.63 -1.81 -3.38 116.57 115.32 1d5v h LYS 23 Ca -0.39 -0.07 -0.57 0.00 -0.85 0.00 0.00 60.65 58.76 1d5v h LYS 23 Cb 1.14 -0.27 -0.05 0.00 -0.60 0.00 0.00 32.23 32.45 1d5v h LYS 23 CO 0.48 0.79 0.84 0.15 -3.45 0.00 0.00 179.45 178.26 1d5v s LYS 24 N -6.00 4.25 0.02 1.90 1.02 -1.26 -4.69 119.74 114.98 1d5v s LYS 24 Ca -0.12 1.49 0.00 0.00 0.02 0.00 0.00 55.97 57.36 1d5v s LYS 24 Cb 0.18 -3.69 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1d5v s LYS 24 CO 0.81 -0.65 -0.03 -1.50 -0.92 0.00 0.00 175.35 173.05 1d5v s ILE 25 N 3.29 0.13 0.62 2.17 2.07 -1.25 -4.90 121.20 123.33 1d5v s ILE 25 Ca 0.49 -0.82 -0.11 0.00 -1.41 0.00 0.00 60.65 58.80 1d5v s ILE 25 Cb -0.18 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 1d5v s ILE 25 CO 0.10 -0.44 1.03 0.42 -1.91 0.00 0.00 174.94 174.15 1d5v s THR 26 N -1.29 4.69 0.18 4.00 -4.23 -1.26 -1.37 115.64 116.35 1d5v s THR 26 Ca -0.14 0.87 -0.09 0.00 -1.18 0.00 0.00 61.69 61.15 1d5v s THR 26 Cb -0.09 -3.85 0.06 0.00 1.34 0.00 0.00 72.50 69.96 1d5v s THR 26 CO -0.01 -1.14 1.64 0.25 -0.54 0.00 0.00 174.62 174.82 1d5v h LEU 27 N -0.33 1.06 -0.64 4.79 5.85 -1.96 -2.33 115.31 121.75 1d5v h LEU 27 Ca -0.44 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 57.88 1d5v h LEU 27 Cb 1.19 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1d5v h LEU 27 CO 0.62 1.12 0.03 0.78 -0.34 0.00 0.00 178.44 180.65 1d5v h ASN 28 N 0.98 1.07 -0.69 1.25 2.35 -1.94 -2.89 115.58 115.71 1d5v h ASN 28 Ca 0.17 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 1d5v h ASN 28 Cb 0.58 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1d5v h ASN 28 CO 0.03 1.10 0.30 1.23 -1.65 0.00 0.00 177.43 178.44 1d5v h GLY 29 N 1.01 1.12 1.01 2.83 0.00 -1.88 -2.72 103.07 104.43 1d5v h GLY 29 Ca 0.18 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.95 1d5v h GLY 29 CO 0.03 0.55 0.52 -2.22 0.00 0.00 0.00 176.54 175.41 1d5v h ILE 30 N 1.02 1.20 -0.92 2.60 2.04 -1.21 -2.07 117.51 120.18 1d5v h ILE 30 Ca 0.24 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1d5v h ILE 30 Cb 0.17 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 1d5v h ILE 30 CO -0.02 0.19 0.61 1.88 0.00 0.00 0.00 178.15 180.81 1d5v h TYR 31 N 1.06 1.16 -0.87 1.37 0.05 -1.43 -1.61 116.97 116.69 1d5v h TYR 31 Ca 0.29 0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.10 1d5v h TYR 31 Cb -0.12 -0.39 -0.04 0.00 1.01 0.00 0.00 36.73 37.18 1d5v h TYR 31 CO -0.02 0.73 0.58 0.37 -1.05 0.00 0.00 178.16 178.77 1d5v h GLN 32 N 1.25 1.15 -0.23 4.88 4.15 -1.29 -1.72 115.11 123.30 1d5v h GLN 32 Ca 0.34 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 1d5v h GLN 32 Cb -0.15 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.27 1d5v h GLN 32 CO -0.07 0.76 0.14 0.35 -1.93 0.00 0.00 178.83 178.07 1d5v h PHE 33 N 1.18 0.30 -0.03 3.99 3.57 -0.98 -1.31 116.94 123.66 1d5v h PHE 33 Ca 0.32 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 1d5v h PHE 33 Cb -0.14 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 1d5v h PHE 33 CO -0.01 0.24 0.02 0.82 -2.23 0.00 0.00 178.31 177.14 1d5v h ILE 34 N 0.28 1.08 -1.00 1.41 5.03 -1.04 0.44 117.51 123.71 1d5v h ILE 34 Ca 0.08 -0.22 0.01 0.00 -0.12 0.00 0.00 64.86 64.61 1d5v h ILE 34 Cb 0.02 1.17 -0.05 0.00 -3.03 0.00 0.00 36.82 34.93 1d5v h ILE 34 CO -0.02 0.06 0.66 0.24 -0.68 0.00 0.00 178.15 178.41 1d5v h MET 35 N -0.04 1.32 0.07 2.37 2.86 -1.23 0.81 114.93 121.09 1d5v h MET 35 Ca 0.01 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1d5v h MET 35 Cb 0.09 -0.30 0.00 0.00 0.06 0.00 0.00 31.60 31.45 1d5v h MET 35 CO -0.00 0.87 -0.04 -0.44 1.06 0.00 0.00 176.91 178.37 1d5v h ASP 36 N 1.35 -0.09 0.00 1.22 3.32 -0.97 -3.15 116.42 118.11 1d5v h ASP 36 Ca 0.36 -0.49 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1d5v h ASP 36 Cb -0.15 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1d5v h ASP 36 CO -0.08 0.49 -0.00 -0.09 -1.72 0.00 0.00 179.24 177.84 1d5v h ARG 37 N -0.70 -0.00 -4.86 3.56 9.65 0.07 -3.39 114.38 118.71 1d5v h ARG 37 Ca -0.01 0.00 -0.67 0.00 -1.10 0.00 0.00 59.98 58.20 1d5v h ARG 37 Cb 0.57 0.00 -0.36 0.00 -1.39 0.00 0.00 29.97 28.79 1d5v h ARG 37 CO 0.02 0.01 -0.78 -0.06 2.80 0.00 0.00 179.97 181.95 1d5v s PHE 38 N -6.17 3.24 -1.29 2.20 0.08 0.28 -4.98 117.98 111.34 1d5v s PHE 38 Ca -0.13 -2.16 0.29 0.00 0.12 0.00 0.00 56.93 55.05 1d5v s PHE 38 Cb 0.06 -1.98 1.30 0.00 -0.57 0.00 0.00 43.02 41.84 1d5v s PHE 38 CO 0.66 -0.85 1.93 -0.35 -0.10 0.00 0.00 175.22 176.51 1d5v n PRO 39 N 4.49 0.29 -0.36 0.24 -0.04 -1.19 -3.82 135.00 134.61 1d5v n PRO 39 Ca -0.14 -0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.25 1d5v n PRO 39 Cb 0.43 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.49 1d5v n PRO 39 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1d5v h PHE 40 N 0.09 1.26 0.00 0.54 0.04 -1.91 -1.46 116.94 115.50 1d5v h PHE 40 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1d5v h PHE 40 Cb 0.39 -0.42 0.00 0.00 2.20 0.00 0.00 35.95 38.12 1d5v h PHE 40 CO 0.00 0.82 0.00 1.88 -0.60 0.00 0.00 178.31 180.41 1d5v h TYR 41 N 1.34 0.00 -0.70 -0.55 -1.99 -1.85 -2.63 116.97 110.60 1d5v h TYR 41 Ca 0.35 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.10 1d5v h TYR 41 Cb -0.09 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.60 1d5v h TYR 41 CO 0.00 0.00 0.45 0.00 -0.00 0.00 0.00 178.16 178.62 1d5v h ARG 42 N 0.00 0.89 -0.51 4.88 3.08 -1.50 -2.11 114.38 119.12 1d5v h ARG 42 Ca 0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1d5v h ARG 42 Cb 0.18 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1d5v h ARG 42 CO 0.00 0.59 0.21 1.49 -1.07 0.00 0.00 179.97 181.19 1d5v h GLU 43 N 0.92 0.76 -4.13 0.04 4.81 -1.62 -3.36 114.58 112.00 1d5v h GLU 43 Ca 0.26 -0.14 -0.75 0.00 -0.13 0.00 0.00 59.36 58.61 1d5v h GLU 43 Cb -0.07 -0.12 -0.26 0.00 0.63 0.00 0.00 28.75 28.92 1d5v h GLU 43 CO -0.07 0.67 -0.26 1.21 -0.73 0.00 0.00 179.01 179.83 1d5v s ASN 44 N -5.98 6.05 -0.20 1.04 2.47 -0.79 -4.88 114.94 112.65 1d5v s ASN 44 Ca -0.13 -1.93 -0.07 0.00 0.42 0.00 0.00 52.86 51.16 1d5v s ASN 44 Cb 0.12 -2.14 -0.21 0.00 -1.45 0.00 0.00 41.25 37.57 1d5v s ASN 44 CO 0.77 -0.77 0.07 0.29 -3.72 0.00 0.00 177.10 173.74 1d5v n LYS 45 N 5.00 0.68 -2.89 0.43 5.02 -1.22 -4.72 118.16 120.46 1d5v n LYS 45 Ca -0.09 0.27 -0.33 0.00 -2.02 0.00 0.00 58.31 56.13 1d5v n LYS 45 Cb 0.41 -1.63 -0.07 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.51 4.21 0.00 1.97 -0.21 -1.26 -3.50 119.66 118.36 1d5v s GLN 46 Ca -0.29 1.04 0.00 0.00 0.02 0.00 0.00 55.36 56.12 1d5v s GLN 46 Cb 0.08 -2.29 0.00 0.00 1.00 0.00 0.00 33.01 31.80 1d5v s GLN 46 CO 0.66 0.04 0.00 0.41 -2.12 0.00 0.00 175.29 174.28 1d5v n GLY 47 N -0.47 1.96 0.26 3.09 0.00 -1.26 -4.68 105.19 104.08 1d5v n GLY 47 Ca 0.06 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 1.00 -0.80 1.61 5.08 -1.87 -2.61 115.95 118.36 1d5v h TRP 48 Ca 0.00 -0.29 0.01 0.00 1.08 0.00 0.00 58.89 59.69 1d5v h TRP 48 Cb 0.00 -0.21 -0.04 0.00 -3.00 0.00 0.00 29.16 25.91 1d5v h TRP 48 CO 0.00 1.08 0.53 1.96 -1.28 0.00 0.00 178.44 180.73 1d5v h GLN 49 N 0.69 1.05 -0.36 0.12 4.20 -1.83 -2.72 115.11 116.27 1d5v h GLN 49 Ca 0.06 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.54 1d5v h GLN 49 Cb 0.94 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1d5v h GLN 49 CO 0.09 0.70 -0.42 -0.91 -0.67 0.00 0.00 178.83 177.62 1d5v h ASN 50 N 1.08 0.97 -1.01 1.46 -0.26 -1.83 -3.21 115.58 112.79 1d5v h ASN 50 Ca 0.29 -0.46 0.01 0.00 -0.56 0.00 0.00 56.30 55.59 1d5v h ASN 50 Cb -0.12 -0.27 -0.05 0.00 -1.06 0.00 0.00 38.32 36.81 1d5v h ASN 50 CO -0.06 1.25 0.67 0.77 -1.06 0.00 0.00 177.43 178.99 1d5v h SER 51 N 0.72 1.15 0.00 5.81 4.64 -1.17 -2.07 113.55 122.64 1d5v h SER 51 Ca 0.05 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1d5v h SER 51 Cb 1.01 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1d5v h SER 51 CO 0.10 0.83 -0.00 0.40 -0.87 0.00 0.00 176.83 177.29 1d5v h ILE 52 N 1.36 1.00 -0.04 0.95 1.08 -1.50 0.50 117.51 120.87 1d5v h ILE 52 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.84 1d5v h ILE 52 Cb -0.16 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1d5v h ILE 52 CO -0.08 0.00 0.02 0.03 -0.69 0.00 0.00 178.15 177.43 1d5v h ARG 53 N -0.00 0.05 -1.01 2.37 3.08 -1.57 0.23 114.38 117.53 1d5v h ARG 53 Ca -0.00 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1d5v h ARG 53 Cb 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1d5v h ARG 53 CO 0.00 0.05 0.67 0.45 -1.07 0.00 0.00 179.97 180.07 1d5v h HIS 54 N 0.03 1.27 -0.85 3.04 3.86 -1.20 -1.02 115.15 120.28 1d5v h HIS 54 Ca 0.01 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1d5v h HIS 54 Cb 0.01 -0.43 -0.04 0.00 1.06 0.00 0.00 27.41 28.01 1d5v h HIS 54 CO -0.07 0.80 0.43 -0.97 0.86 0.00 0.00 177.93 178.98 1d5v h ASN 55 N 1.37 1.09 -0.70 2.45 -0.73 0.78 -0.86 115.58 118.97 1d5v h ASN 55 Ca 0.37 -0.12 -0.07 0.00 1.87 0.00 0.00 56.30 58.34 1d5v h ASN 55 Cb -0.16 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.12 1d5v h ASN 55 CO -0.08 0.90 0.15 -0.07 -0.37 0.00 0.00 177.43 177.96 1d5v h LEU 56 N 1.20 1.08 -0.13 0.34 3.38 0.65 0.38 115.31 122.21 1d5v h LEU 56 Ca 0.29 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1d5v h LEU 56 Cb 0.08 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1d5v h LEU 56 CO -0.04 1.05 -0.11 0.28 0.09 0.00 0.00 178.44 179.70 1d5v h SER 57 N 1.07 0.32 -0.59 -0.43 0.02 -0.85 -3.22 113.55 109.87 1d5v h SER 57 Ca 0.22 -0.47 -0.11 0.00 -0.84 0.00 0.00 61.79 60.59 1d5v h SER 57 Cb 0.41 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1d5v h SER 57 CO 0.01 0.72 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.31 1d5v h LEU 58 N -0.07 1.06 -9.06 5.07 3.38 -1.10 -3.41 115.31 111.18 1d5v h LEU 58 Ca 0.02 -0.32 -0.57 0.00 0.09 0.00 0.00 57.88 57.10 1d5v h LEU 58 Cb 0.63 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1d5v h LEU 58 CO 0.03 1.13 0.94 0.20 0.09 0.00 0.00 178.44 180.83 1d5v s ASN 59 N -6.61 6.80 0.00 -0.43 0.01 0.12 -4.86 114.94 109.97 1d5v s ASN 59 Ca -0.12 1.47 0.27 0.00 -0.71 0.00 0.00 52.86 53.77 1d5v s ASN 59 Cb 0.13 -2.54 0.87 0.00 0.41 0.00 0.00 41.25 40.13 1d5v s ASN 59 CO 0.86 -0.93 1.64 -0.62 -1.51 0.00 0.00 177.10 176.54 1d5v n GLU 60 N 6.97 1.29 -0.37 -0.60 1.02 -1.26 -4.07 120.64 123.63 1d5v n GLU 60 Ca 0.14 -0.78 -0.02 0.00 -0.02 0.00 0.00 57.16 56.48 1d5v n GLU 60 Cb 0.46 -1.48 0.11 0.00 -0.02 0.00 0.00 31.44 30.50 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 -6.05 3.38 -0.16 0.00 0.08 -1.26 -4.68 117.98 109.30 1d5v s PHE 62 Ca -0.13 1.52 -0.02 0.00 0.12 0.00 0.00 56.93 58.43 1d5v s PHE 62 Cb 0.18 -2.83 -0.02 0.00 -0.57 0.00 0.00 43.02 39.79 1d5v s PHE 62 CO 0.82 -0.31 -0.09 0.08 -0.10 0.00 0.00 175.22 175.62 1d5v s VAL 63 N -2.45 3.27 0.45 -0.44 1.01 -0.27 -4.99 120.40 116.99 1d5v s VAL 63 Ca 0.60 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 1d5v s VAL 63 Cb -0.10 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.79 1d5v s VAL 63 CO 0.25 0.50 1.19 -0.54 0.00 0.00 0.00 175.10 176.49 1d5v s LYS 64 N 0.63 3.78 -0.44 2.72 1.02 -1.26 -3.07 119.74 123.12 1d5v s LYS 64 Ca -0.05 1.84 0.05 0.00 0.02 0.00 0.00 55.97 57.83 1d5v s LYS 64 Cb -0.15 -2.46 0.19 0.00 -0.52 0.00 0.00 37.83 34.89 1d5v s LYS 64 CO 0.03 -0.55 0.42 0.28 -0.92 0.00 0.00 175.35 174.60 1d5v n VAL 65 N -0.39 -0.69 -0.82 3.17 0.31 -0.66 -4.96 118.33 114.31 1d5v n VAL 65 Ca 0.07 -3.78 -0.33 0.00 -0.01 0.00 0.00 64.34 60.28 1d5v n VAL 65 Cb 0.47 -1.80 0.11 0.00 -0.91 0.00 0.00 33.84 31.72 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 2.30 -0.35 -2.14 5.55 -0.02 -1.26 -2.70 135.00 136.38 1d5v n PRO 66 Ca 0.27 -0.07 -0.28 0.00 -2.02 0.00 0.00 63.50 61.40 1d5v n PRO 66 Cb 0.48 -1.72 0.05 0.00 -0.02 0.00 0.00 33.50 32.29 1d5v n PRO 66 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1d5v s ARG 67 N -3.39 2.63 0.79 -0.52 0.52 -1.26 -4.84 118.95 112.87 1d5v s ARG 67 Ca 0.54 0.09 -0.12 0.00 -0.52 0.00 0.00 55.73 55.73 1d5v s ARG 67 Cb -0.20 -2.14 0.06 0.00 0.52 0.00 0.00 34.95 33.20 1d5v s ARG 67 CO 0.69 -1.02 1.12 0.16 0.02 0.00 0.00 175.30 176.27 1d5v s ASP 68 N -4.40 4.65 0.33 0.23 -4.77 -1.26 -4.95 116.67 106.50 1d5v s ASP 68 Ca 0.57 1.10 0.01 0.00 -3.30 0.00 0.00 52.55 50.93 1d5v s ASP 68 Cb -0.11 -1.78 0.57 0.00 -1.09 0.00 0.00 42.92 40.51 1d5v s ASP 68 CO 0.47 -1.85 1.96 0.44 0.70 0.00 0.00 175.17 176.90 1d5v h ASP 69 N -1.01 0.74 -0.94 2.11 3.32 -1.97 -2.66 116.42 116.00 1d5v h ASP 69 Ca -0.47 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 56.54 1d5v h ASP 69 Cb 1.28 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 1d5v h ASP 69 CO 0.62 0.59 0.63 0.11 -1.72 0.00 0.00 179.24 179.47 1d5v h LYS 70 N 0.84 1.24 -6.81 3.56 1.57 -2.05 -3.42 116.57 111.51 1d5v h LYS 70 Ca 0.22 -0.07 -0.48 0.00 -1.87 0.00 0.00 60.65 58.44 1d5v h LYS 70 Cb 0.01 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 1d5v h LYS 70 CO -0.04 0.82 0.17 0.15 -0.57 0.00 0.00 179.45 179.98 1d5v s LYS 71 N -6.12 4.09 0.41 3.15 -0.14 -1.00 -5.01 119.74 115.11 1d5v s LYS 71 Ca -0.13 0.82 -0.27 0.00 -1.36 0.00 0.00 55.97 55.03 1d5v s LYS 71 Cb 0.17 -2.40 -0.10 0.00 -1.68 0.00 0.00 37.83 33.82 1d5v s LYS 71 CO 0.81 0.12 1.45 -0.35 -0.76 0.00 0.00 175.35 176.62 1d5v n PRO 72 N -0.35 2.46 -2.14 -1.68 -0.04 -1.26 -4.68 135.00 127.31 1d5v n PRO 72 Ca 0.04 0.87 -0.30 0.00 -0.04 0.00 0.00 63.50 64.07 1d5v n PRO 72 Cb 0.53 -2.63 -0.05 0.00 -0.04 0.00 0.00 33.50 31.31 1d5v n PRO 72 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1d5v s GLY 73 N -0.29 0.37 -0.13 0.55 0.00 -1.26 -4.90 107.32 101.65 1d5v s GLY 73 Ca 0.57 -2.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.04 1d5v s GLY 73 CO 0.61 3.44 -0.12 0.54 0.00 0.00 0.00 173.10 177.57 1d5v s LYS 74 N 6.18 3.42 0.00 2.90 1.02 -1.26 -5.05 119.74 126.95 1d5v s LYS 74 Ca 0.66 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1d5v s LYS 74 Cb -0.00 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1d5v s LYS 74 CO 0.12 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 1d5v n GLY 75 N 3.51 0.63 3.47 -3.33 0.00 -1.26 -4.82 105.19 103.38 1d5v n GLY 75 Ca -0.18 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 1d5v n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1d5v s SER 76 N -3.25 -0.59 0.55 1.61 0.15 -1.26 -4.65 113.70 106.26 1d5v s SER 76 Ca 0.00 1.14 -0.16 0.00 0.70 0.00 0.00 55.95 57.63 1d5v s SER 76 Cb 0.00 1.16 -0.06 0.00 -1.71 0.00 0.00 66.02 65.41 1d5v s SER 76 CO 0.00 -0.20 1.01 -0.31 1.20 0.00 0.00 173.24 174.95 1d5v s TYR 77 N 0.29 3.29 -0.02 3.44 2.02 -1.10 -4.11 117.35 121.16 1d5v s TYR 77 Ca -0.00 1.47 0.08 0.00 -0.37 0.00 0.00 57.07 58.25 1d5v s TYR 77 Cb -0.04 -2.87 -0.02 0.00 -0.40 0.00 0.00 41.96 38.63 1d5v s TYR 77 CO 0.01 -0.67 -0.26 -1.58 -1.57 0.00 0.00 175.55 171.48 1d5v s TRP 78 N -2.60 2.33 0.09 2.71 0.52 -0.47 -1.65 118.94 119.88 1d5v s TRP 78 Ca 0.60 -0.44 -0.01 0.00 0.02 0.00 0.00 56.10 56.28 1d5v s TRP 78 Cb -0.12 -1.50 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1d5v s TRP 78 CO 0.35 -0.04 0.00 -0.08 0.02 0.00 0.00 176.95 177.20 1d5v s THR 79 N -0.61 0.21 -0.95 2.01 -1.32 -1.17 -3.78 115.64 110.03 1d5v s THR 79 Ca 0.10 -1.86 0.17 0.00 -1.21 0.00 0.00 61.69 58.89 1d5v s THR 79 Cb -0.10 -1.75 0.73 0.00 -1.51 0.00 0.00 72.50 69.87 1d5v s THR 79 CO -0.01 -0.77 1.64 0.18 -2.21 0.00 0.00 174.62 173.45 1d5v n LEU 80 N 0.01 4.90 -3.77 9.08 4.32 -1.26 -1.11 117.00 129.17 1d5v n LEU 80 Ca -0.10 -2.48 -0.12 0.00 -0.02 0.00 0.00 56.01 53.29 1d5v n LEU 80 Cb 0.62 -0.60 -0.08 0.00 -1.62 0.00 0.00 43.42 41.74 1d5v n LEU 80 CO 0.29 0.75 0.01 -1.81 -1.22 0.00 0.00 177.39 175.41 1d5v s ASP 81 N -0.85 -0.14 0.00 -1.43 1.01 -1.26 -4.84 116.67 109.16 1d5v s ASP 81 Ca 0.51 -0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.68 1d5v s ASP 81 Cb 0.34 0.33 0.00 0.00 1.01 0.00 0.00 42.92 44.60 1d5v s ASP 81 CO 0.22 -0.53 0.00 -0.81 0.21 0.00 0.00 175.17 174.26 1d5v n PRO 82 N 0.92 2.09 -1.85 8.23 -0.04 -1.26 -4.72 135.00 138.37 1d5v n PRO 82 Ca -0.20 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.84 1d5v n PRO 82 Cb 0.58 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1d5v n PRO 82 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1d5v n ASP 83 N 0.00 4.01 -4.56 3.54 -0.08 -1.26 -4.88 116.55 113.33 1d5v n ASP 83 Ca 0.00 -2.85 -0.13 0.00 -1.51 0.00 0.00 54.79 50.30 1d5v n ASP 83 Cb 0.00 -1.67 -0.09 0.00 2.34 0.00 0.00 41.12 41.70 1d5v n ASP 83 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1d5v n SER 84 N 6.43 1.50 0.11 1.67 3.41 -1.26 -4.67 113.62 120.80 1d5v n SER 84 Ca 0.52 -1.88 -0.23 0.00 -0.26 0.00 0.00 58.87 57.01 1d5v n SER 84 Cb 0.40 -1.66 -0.15 0.00 -0.26 0.00 0.00 64.21 62.54 1d5v n SER 84 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1d5v h TYR 85 N 12.21 0.82 0.00 7.33 3.20 -2.03 -3.40 116.97 135.09 1d5v h TYR 85 Ca 0.00 -0.60 -0.16 0.00 3.14 0.00 0.00 58.73 61.11 1d5v h TYR 85 Cb 1.00 -0.03 -0.35 0.00 1.54 0.00 0.00 36.73 38.89 1d5v h TYR 85 CO 1.11 1.61 -0.99 0.09 -1.64 0.00 0.00 178.16 178.34 1d5v n ASN 86 N -3.64 1.03 -4.64 -2.11 3.02 -1.26 -5.10 115.26 102.56 1d5v n ASN 86 Ca -0.21 -2.14 -0.43 0.00 -0.03 0.00 0.00 54.58 51.77 1d5v n ASN 86 Cb 1.09 -0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 39.94 1d5v n ASN 86 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1d5v n MET 87 N 0.37 1.70 0.00 3.52 0.00 -1.26 -4.96 117.12 116.49 1d5v n MET 87 Ca 0.07 0.60 0.00 0.00 0.00 0.00 0.00 57.70 58.37 1d5v n MET 87 Cb 1.11 -2.09 0.00 0.00 0.00 0.00 0.00 33.22 32.24 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 0.19 0.00 -0.95 3.17 3.72 -1.26 -4.56 117.46 117.77 1d5v n PHE 88 Ca 0.07 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.55 1d5v n PHE 88 Cb 0.35 0.00 0.36 0.00 -0.94 0.00 0.00 39.48 39.24 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 0.00 4.22 -0.71 -1.08 0.00 -1.26 -4.51 120.64 117.31 1d5v n GLU 89 Ca 0.00 -3.07 -0.14 0.00 0.00 0.00 0.00 57.16 53.96 1d5v n GLU 89 Cb 0.00 -2.13 0.09 0.00 0.00 0.00 0.00 31.44 29.40 1d5v n GLU 89 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1d5v n ASN 90 N 0.22 3.84 0.00 -1.84 3.02 -1.26 -4.78 115.26 114.46 1d5v n ASN 90 Ca 0.26 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 1d5v n ASN 90 Cb 1.11 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.32 2.21 2.96 7.41 0.00 -1.26 -5.05 105.19 111.14 1d5v n GLY 91 Ca 0.33 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 1d5v n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d5v s SER 92 N 1.67 0.50 -0.34 1.61 1.04 -1.26 -5.12 113.70 111.80 1d5v s SER 92 Ca 0.00 0.44 -0.17 0.00 0.48 0.00 0.00 55.95 56.70 1d5v s SER 92 Cb 0.00 0.69 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 1d5v s SER 92 CO 0.00 -0.26 0.46 0.72 0.98 0.00 0.00 173.24 175.14 1d5v s PHE 93 N 2.42 3.19 -2.00 5.02 -0.71 -1.26 -5.14 117.98 119.51 1d5v s PHE 93 Ca 0.03 0.14 0.14 0.00 -1.04 0.00 0.00 56.93 56.20 1d5v s PHE 93 Cb -0.13 -2.83 0.85 0.00 -1.21 0.00 0.00 43.02 39.70 1d5v s PHE 93 CO -0.10 -0.49 1.27 1.28 -1.34 0.00 0.00 175.22 175.85