#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 3.27 0.05 -0.89 1.43 -1.26 -5.12 118.68 116.16 1d5v s LEU 2 Ca 0.00 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1d5v s LEU 2 Cb 0.00 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1d5v s LEU 2 CO 0.00 0.30 -0.03 0.68 0.23 0.00 0.00 176.35 177.53 1d5v s VAL 3 N -0.98 0.25 0.46 -1.59 -7.23 -1.26 -5.13 120.40 104.92 1d5v s VAL 3 Ca 0.17 -1.70 -0.23 0.00 -1.81 0.00 0.00 61.98 58.41 1d5v s VAL 3 Cb -0.11 -1.36 -0.07 0.00 0.56 0.00 0.00 36.38 35.39 1d5v s VAL 3 CO 0.07 -0.92 1.15 -1.59 -0.31 0.00 0.00 175.10 173.50 1d5v s LYS 4 N -3.58 3.75 0.65 4.82 0.00 -1.26 -4.97 119.74 119.15 1d5v s LYS 4 Ca 0.04 1.73 -0.12 0.00 0.00 0.00 0.00 55.97 57.62 1d5v s LYS 4 Cb 0.05 -2.37 -0.02 0.00 0.00 0.00 0.00 37.83 35.50 1d5v s LYS 4 CO -0.08 -0.55 1.04 -1.25 0.00 0.00 0.00 175.35 174.51 1d5v s PRO 5 N -2.76 3.29 -0.00 1.78 0.04 -1.26 -4.95 135.00 131.14 1d5v s PRO 5 Ca 0.64 0.89 0.01 0.00 0.04 0.00 0.00 61.00 62.58 1d5v s PRO 5 Cb -0.27 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.25 1d5v s PRO 5 CO 0.33 -0.82 1.02 -0.35 0.04 0.00 0.00 177.00 177.22 1d5v n PRO 6 N -2.80 1.06 -3.04 0.56 -0.04 -1.26 -4.86 135.00 124.62 1d5v n PRO 6 Ca 0.07 -0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 63.05 1d5v n PRO 6 Cb 0.54 -1.02 -0.06 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.96 3.88 0.82 0.54 2.02 -1.26 -5.06 117.35 116.32 1d5v s TYR 7 Ca 0.02 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.15 1d5v s TYR 7 Cb 0.01 -2.71 0.09 0.00 -0.40 0.00 0.00 41.96 38.95 1d5v s TYR 7 CO 0.01 0.52 1.19 -1.54 -1.57 0.00 0.00 175.55 174.16 1d5v s SER 8 N -1.17 4.44 0.25 2.29 1.04 -1.26 -4.77 113.70 114.51 1d5v s SER 8 Ca 0.35 0.75 -0.06 0.00 0.48 0.00 0.00 55.95 57.47 1d5v s SER 8 Cb -0.22 -1.22 0.25 0.00 0.10 0.00 0.00 66.02 64.93 1d5v s SER 8 CO 0.25 -1.95 1.93 1.88 0.98 0.00 0.00 173.24 176.33 1d5v h TYR 9 N -1.08 1.25 -0.18 5.02 0.05 -1.99 -0.01 116.97 120.03 1d5v h TYR 9 Ca -0.46 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.35 1d5v h TYR 9 Cb 1.33 -0.42 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 1d5v h TYR 9 CO 0.24 0.79 0.11 0.82 -1.05 0.00 0.00 178.16 179.07 1d5v h ILE 10 N 1.35 1.09 -0.53 -2.88 1.08 -1.99 -1.36 117.51 114.26 1d5v h ILE 10 Ca 0.36 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.59 1d5v h ILE 10 Cb -0.16 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 1d5v h ILE 10 CO -0.08 0.08 0.22 0.00 -0.69 0.00 0.00 178.15 177.68 1d5v h ALA 11 N 1.01 0.69 -0.61 1.87 0.00 -1.78 0.27 119.26 120.72 1d5v h ALA 11 Ca 0.06 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1d5v h ALA 11 Cb 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1d5v h ALA 11 CO -0.01 0.29 0.40 -0.07 0.00 0.00 0.00 179.25 179.86 1d5v h LEU 12 N 0.72 0.69 -0.38 0.00 3.38 -0.77 0.20 115.31 119.16 1d5v h LEU 12 Ca 0.18 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 1d5v h LEU 12 Cb 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1d5v h LEU 12 CO -0.02 0.50 -0.41 0.40 0.09 0.00 0.00 178.44 179.00 1d5v h ILE 13 N 0.82 1.27 -0.78 1.22 2.04 -0.97 -1.71 117.51 119.39 1d5v h ILE 13 Ca 0.22 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 1d5v h ILE 13 Cb -0.09 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1d5v h ILE 13 CO -0.05 0.53 0.33 0.74 0.00 0.00 0.00 178.15 179.70 1d5v h THR 14 N 0.76 1.26 -0.24 -0.27 2.02 0.09 -2.25 112.91 114.26 1d5v h THR 14 Ca 0.05 -0.77 -0.15 0.00 0.77 0.00 0.00 66.41 66.32 1d5v h THR 14 Cb 1.01 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1d5v h THR 14 CO 0.10 0.32 -0.44 0.24 0.37 0.00 0.00 175.52 176.10 1d5v h MET 15 N 1.12 0.62 -0.43 6.66 2.86 -0.54 -2.91 114.93 122.31 1d5v h MET 15 Ca 0.26 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1d5v h MET 15 Cb 0.18 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1d5v h MET 15 CO -0.03 0.94 0.26 0.00 1.06 0.00 0.00 176.91 179.14 1d5v h ALA 16 N 1.01 0.55 0.01 6.32 0.00 -0.84 1.03 119.26 127.33 1d5v h ALA 16 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1d5v h ALA 16 Cb 0.97 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1d5v h ALA 16 CO 0.09 -0.05 -0.00 0.82 0.00 0.00 0.00 179.25 180.10 1d5v h ILE 17 N 0.53 0.99 -0.30 0.00 2.04 -1.34 -0.98 117.51 118.44 1d5v h ILE 17 Ca 0.17 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.88 1d5v h ILE 17 Cb -0.01 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1d5v h ILE 17 CO -0.07 0.00 -0.42 1.56 0.00 0.00 0.00 178.15 179.22 1d5v h GLN 18 N -0.01 0.75 0.00 2.37 4.20 -1.29 -2.70 115.11 118.43 1d5v h GLN 18 Ca -0.00 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1d5v h GLN 18 Cb 0.01 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1d5v h GLN 18 CO 0.00 1.03 0.00 0.09 -0.67 0.00 0.00 178.83 179.28 1d5v n ASN 19 N -4.03 0.00 -4.80 1.46 5.03 0.35 -4.80 115.26 108.48 1d5v n ASN 19 Ca -0.02 -0.60 -0.35 0.00 0.87 0.00 0.00 54.58 54.48 1d5v n ASN 19 Cb 0.55 -0.07 -0.06 0.00 -1.02 0.00 0.00 39.78 39.18 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 -2.15 3.06 0.28 5.41 0.00 -0.39 -4.92 121.76 123.05 1d5v s ALA 20 Ca 0.34 0.52 0.37 0.00 0.00 0.00 0.00 51.96 53.19 1d5v s ALA 20 Cb 0.17 -3.20 1.75 0.00 0.00 0.00 0.00 23.12 21.84 1d5v s ALA 20 CO 0.31 -0.00 2.11 -1.00 0.00 0.00 0.00 175.76 177.18 1d5v h PRO 21 N 2.26 0.00 -4.94 0.00 0.13 -1.88 -3.41 132.00 124.16 1d5v h PRO 21 Ca -0.48 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.19 1d5v h PRO 21 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 1d5v h PRO 21 CO 0.62 0.00 -0.80 -2.00 -0.23 0.00 0.00 178.00 175.59 1d5v s GLU 22 N -3.83 1.05 0.25 0.86 2.12 -1.26 -5.03 118.70 112.86 1d5v s GLU 22 Ca -0.01 -0.41 -0.06 0.00 0.36 0.00 0.00 54.97 54.85 1d5v s GLU 22 Cb 0.10 -0.99 0.26 0.00 0.26 0.00 0.00 34.13 33.76 1d5v s GLU 22 CO 0.47 0.21 1.93 -0.22 -0.54 0.00 0.00 175.26 177.12 1d5v h LYS 23 N 6.05 1.33 -6.45 4.30 1.63 -1.83 -3.40 116.57 118.20 1d5v h LYS 23 Ca -0.33 -0.08 -0.54 0.00 -0.85 0.00 0.00 60.65 58.86 1d5v h LYS 23 Cb 1.17 -0.30 -0.02 0.00 -0.60 0.00 0.00 32.23 32.48 1d5v h LYS 23 CO 0.49 0.88 0.39 0.15 -3.45 0.00 0.00 179.45 177.91 1d5v s LYS 24 N -6.12 4.57 0.02 1.90 1.02 -1.26 -4.82 119.74 115.04 1d5v s LYS 24 Ca -0.13 1.47 -0.00 0.00 0.02 0.00 0.00 55.97 57.33 1d5v s LYS 24 Cb 0.18 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 1d5v s LYS 24 CO 0.82 -0.03 -0.02 -1.50 -0.92 0.00 0.00 175.35 173.69 1d5v s ILE 25 N 0.84 0.09 0.68 2.17 2.07 -1.25 -4.94 121.20 120.88 1d5v s ILE 25 Ca 0.52 -0.78 -0.08 0.00 -1.41 0.00 0.00 60.65 58.89 1d5v s ILE 25 Cb -0.22 -0.23 0.04 0.00 0.13 0.00 0.00 42.46 42.17 1d5v s ILE 25 CO 0.29 -0.43 1.02 0.42 -1.91 0.00 0.00 174.94 174.33 1d5v s THR 26 N -1.26 2.96 0.10 4.00 -4.23 -1.26 -0.56 115.64 115.38 1d5v s THR 26 Ca -0.14 0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.18 1d5v s THR 26 Cb -0.09 -3.26 -0.14 0.00 1.34 0.00 0.00 72.50 70.36 1d5v s THR 26 CO -0.01 -0.30 1.74 0.25 -0.54 0.00 0.00 174.62 175.77 1d5v h LEU 27 N -0.55 0.03 -1.00 4.79 5.85 -1.96 -2.31 115.31 120.16 1d5v h LEU 27 Ca -0.45 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.28 1d5v h LEU 27 Cb 1.28 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1d5v h LEU 27 CO 0.62 0.02 0.66 0.78 -0.34 0.00 0.00 178.44 180.18 1d5v h ASN 28 N 0.04 1.16 -1.00 1.25 2.35 -1.97 -2.54 115.58 114.87 1d5v h ASN 28 Ca 0.01 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1d5v h ASN 28 Cb -0.00 -0.29 -0.06 0.00 0.05 0.00 0.00 38.32 38.02 1d5v h ASN 28 CO -0.01 0.84 0.66 1.23 -1.65 0.00 0.00 177.43 178.50 1d5v h GLY 29 N 1.36 1.46 1.01 2.83 0.00 -1.80 -2.13 103.07 105.80 1d5v h GLY 29 Ca 0.37 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.20 1d5v h GLY 29 CO -0.08 0.44 0.44 -2.22 0.00 0.00 0.00 176.54 175.12 1d5v h ILE 30 N 1.28 1.17 -1.01 2.60 2.04 -1.02 -2.36 117.51 120.21 1d5v h ILE 30 Ca 0.39 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1d5v h ILE 30 Cb -0.02 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.21 1d5v h ILE 30 CO -0.12 0.17 0.67 1.88 0.00 0.00 0.00 178.15 180.75 1d5v h TYR 31 N 0.90 1.27 -0.74 1.37 0.05 -1.35 -2.72 116.97 115.75 1d5v h TYR 31 Ca 0.24 0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.06 1d5v h TYR 31 Cb -0.10 -0.43 -0.04 0.00 1.01 0.00 0.00 36.73 37.18 1d5v h TYR 31 CO -0.03 0.80 0.49 0.37 -1.05 0.00 0.00 178.16 178.74 1d5v h GLN 32 N 1.37 0.97 -0.15 4.88 4.15 -1.11 -2.79 115.11 122.42 1d5v h GLN 32 Ca 0.37 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1d5v h GLN 32 Cb -0.16 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.31 1d5v h GLN 32 CO -0.08 0.64 0.10 0.35 -1.93 0.00 0.00 178.83 177.91 1d5v h PHE 33 N 1.00 0.18 -0.01 3.99 3.04 -1.31 -2.32 116.94 121.51 1d5v h PHE 33 Ca 0.27 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1d5v h PHE 33 Cb -0.11 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.34 1d5v h PHE 33 CO -0.02 0.11 0.00 0.82 -2.02 0.00 0.00 178.31 177.20 1d5v h ILE 34 N 0.20 1.00 -0.39 1.41 2.04 -1.43 0.34 117.51 120.67 1d5v h ILE 34 Ca 0.05 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1d5v h ILE 34 Cb -0.02 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1d5v h ILE 34 CO -0.01 0.00 0.26 0.24 0.00 0.00 0.00 178.15 178.64 1d5v h MET 35 N 0.00 0.51 -0.37 2.37 2.86 -1.45 0.32 114.93 119.18 1d5v h MET 35 Ca 0.00 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.45 1d5v h MET 35 Cb 0.00 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 1d5v h MET 35 CO -0.00 0.34 -0.42 -0.44 1.06 0.00 0.00 176.91 177.44 1d5v h ASP 36 N 0.53 1.00 -0.43 1.22 3.32 -1.28 -2.47 116.42 118.30 1d5v h ASP 36 Ca 0.14 -0.47 -0.15 0.00 0.02 0.00 0.00 57.03 56.57 1d5v h ASP 36 Cb -0.06 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1d5v h ASP 36 CO -0.03 1.28 -0.31 -0.09 -1.72 0.00 0.00 179.24 178.36 1d5v h ARG 37 N 0.75 0.97 -2.67 3.56 9.65 -0.05 -3.38 114.38 123.21 1d5v h ARG 37 Ca 0.05 -0.47 -0.60 0.00 -1.10 0.00 0.00 59.98 57.86 1d5v h ARG 37 Cb 1.02 -0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 29.20 1d5v h ARG 37 CO 0.10 1.14 -0.80 -0.06 2.80 0.00 0.00 179.97 183.15 1d5v s PHE 38 N -4.52 2.17 -0.30 2.20 0.08 0.11 -4.95 117.98 112.77 1d5v s PHE 38 Ca -0.11 -2.77 0.00 0.00 0.12 0.00 0.00 56.93 54.17 1d5v s PHE 38 Cb 0.12 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 1d5v s PHE 38 CO 0.88 -0.70 0.61 -2.30 -0.10 0.00 0.00 175.22 173.61 1d5v n PRO 39 N 2.46 0.00 -0.37 0.24 -0.02 -0.93 -1.42 135.00 134.95 1d5v n PRO 39 Ca 0.26 0.13 -0.02 0.00 -2.02 0.00 0.00 63.50 61.85 1d5v n PRO 39 Cb 0.42 -1.84 0.11 0.00 -0.02 0.00 0.00 33.50 32.18 1d5v n PRO 39 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1d5v h PHE 40 N 0.00 1.26 0.00 6.00 3.57 -1.90 -1.60 116.94 124.27 1d5v h PHE 40 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1d5v h PHE 40 Cb 0.67 -0.43 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1d5v h PHE 40 CO 0.00 0.80 -0.03 1.88 -2.23 0.00 0.00 178.31 178.73 1d5v h TYR 41 N 1.36 0.00 -1.00 0.41 -1.99 -1.54 -2.92 116.97 111.28 1d5v h TYR 41 Ca 0.37 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.11 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 0.03 0.66 0.00 -0.00 0.00 0.00 178.16 178.85 1d5v h ARG 42 N 0.00 1.32 -0.79 4.88 3.08 -1.48 -2.15 114.38 119.23 1d5v h ARG 42 Ca -0.00 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1d5v h ARG 42 Cb 0.43 -0.30 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1d5v h ARG 42 CO 0.00 0.87 0.30 0.93 -1.07 0.00 0.00 179.97 181.01 1d5v h GLU 43 N 1.36 1.18 -4.47 0.04 5.08 -1.62 -3.38 114.58 112.77 1d5v h GLU 43 Ca 0.37 -0.22 -0.72 0.00 -1.00 0.00 0.00 59.36 57.79 1d5v h GLU 43 Cb -0.16 -0.19 -0.27 0.00 0.50 0.00 0.00 28.75 28.64 1d5v h GLU 43 CO -0.08 0.97 -0.47 -0.80 -1.00 0.00 0.00 179.01 177.63 1d5v s ASN 44 N -6.36 5.69 -0.22 1.42 0.01 -0.81 -4.92 114.94 109.74 1d5v s ASN 44 Ca -0.12 -1.38 0.00 0.00 -0.71 0.00 0.00 52.86 50.65 1d5v s ASN 44 Cb 0.16 -2.01 -0.20 0.00 0.41 0.00 0.00 41.25 39.61 1d5v s ASN 44 CO 0.84 -0.51 -0.06 0.29 -1.51 0.00 0.00 177.10 176.15 1d5v n LYS 45 N 4.95 0.68 -2.84 -0.60 5.02 -1.25 -4.78 118.16 119.34 1d5v n LYS 45 Ca -0.11 0.18 -0.36 0.00 -2.02 0.00 0.00 58.31 56.00 1d5v n LYS 45 Cb 0.44 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.53 4.45 0.00 1.97 -0.21 -1.26 -3.60 119.66 118.48 1d5v s GLN 46 Ca -0.31 1.21 0.00 0.00 0.02 0.00 0.00 55.36 56.28 1d5v s GLN 46 Cb 0.08 -2.66 0.00 0.00 1.00 0.00 0.00 33.01 31.43 1d5v s GLN 46 CO 0.65 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 174.45 1d5v n GLY 47 N 0.29 1.94 0.23 3.09 0.00 -1.26 -4.69 105.19 104.79 1d5v n GLY 47 Ca 0.03 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 0.05 1.61 5.08 -1.87 -3.15 115.95 117.66 1d5v h TRP 48 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 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 0.20 -0.02 0.37 -1.28 0.00 0.00 178.44 177.70 1d5v h GLN 49 N 0.00 -0.06 -0.05 0.12 4.15 -1.83 -2.81 115.11 114.63 1d5v h GLN 49 Ca -0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.25 1d5v h GLN 49 Cb 0.65 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1d5v h GLN 49 CO 0.03 -0.04 -0.74 -0.91 -1.93 0.00 0.00 178.83 175.24 1d5v h ASN 50 N -0.07 0.34 -0.65 -0.69 2.35 -1.88 -3.23 115.58 111.75 1d5v h ASN 50 Ca -0.01 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1d5v h ASN 50 Cb 0.05 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1d5v h ASN 50 CO 0.01 0.96 0.43 0.77 -1.65 0.00 0.00 177.43 177.95 1d5v h SER 51 N 0.19 0.74 -0.01 5.81 4.64 -1.49 -0.93 113.55 122.49 1d5v h SER 51 Ca -0.03 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1d5v h SER 51 Cb 1.31 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1d5v h SER 51 CO 0.12 0.53 0.01 0.40 -0.87 0.00 0.00 176.83 177.02 1d5v h ILE 52 N 0.87 1.01 -0.35 0.95 1.08 -1.51 -1.10 117.51 118.46 1d5v h ILE 52 Ca 0.24 -0.01 -0.16 0.00 -0.39 0.00 0.00 64.86 64.53 1d5v h ILE 52 Cb -0.09 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 1d5v h ILE 52 CO -0.05 0.01 -0.42 0.03 -0.69 0.00 0.00 178.15 177.02 1d5v h ARG 53 N 0.02 0.88 -0.99 2.37 3.08 -1.62 -2.90 114.38 115.21 1d5v h ARG 53 Ca 0.01 -0.48 0.01 0.00 0.07 0.00 0.00 59.98 59.58 1d5v h ARG 53 Cb -0.00 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 1d5v h ARG 53 CO -0.00 1.13 0.66 0.45 -1.07 0.00 0.00 179.97 181.13 1d5v h HIS 54 N 0.71 1.25 -1.01 3.04 3.86 -1.02 0.11 115.15 122.09 1d5v h HIS 54 Ca 0.05 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1d5v h HIS 54 Cb 1.01 -0.42 -0.05 0.00 1.06 0.00 0.00 27.41 29.01 1d5v h HIS 54 CO 0.06 0.79 0.67 -0.91 0.86 0.00 0.00 177.93 179.40 1d5v h ASN 55 N 1.35 1.16 -0.58 2.45 2.35 -1.07 0.67 115.58 121.91 1d5v h ASN 55 Ca 0.36 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.98 1d5v h ASN 55 Cb -0.16 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 37.90 1d5v h ASN 55 CO -0.08 0.84 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.42 1d5v h LEU 56 N 1.37 1.05 -0.00 1.61 3.38 -0.91 0.28 115.31 122.08 1d5v h LEU 56 Ca 0.37 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1d5v h LEU 56 Cb -0.16 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.31 1d5v h LEU 56 CO -0.08 1.13 -0.07 0.77 0.09 0.00 0.00 178.44 180.29 1d5v h SER 57 N 0.95 0.07 -0.73 -0.43 4.64 -0.19 -3.29 113.55 114.57 1d5v h SER 57 Ca 0.16 -0.75 -0.06 0.00 -0.47 0.00 0.00 61.79 60.67 1d5v h SER 57 Cb 0.62 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1d5v h SER 57 CO 0.04 0.80 0.22 -0.07 -0.87 0.00 0.00 176.83 176.95 1d5v h LEU 58 N -0.67 1.08 -8.93 5.97 3.38 0.30 -3.39 115.31 113.05 1d5v h LEU 58 Ca -0.01 -0.22 -0.59 0.00 0.09 0.00 0.00 57.88 57.16 1d5v h LEU 58 Cb 0.81 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 1d5v h LEU 58 CO 0.01 1.01 0.58 0.21 0.09 0.00 0.00 178.44 180.34 1d5v s ASN 59 N -6.41 6.78 0.00 -0.43 3.84 0.99 -4.89 114.94 114.82 1d5v s ASN 59 Ca -0.12 0.82 0.25 0.00 0.21 0.00 0.00 52.86 54.02 1d5v s ASN 59 Cb 0.15 -2.46 0.99 0.00 -0.55 0.00 0.00 41.25 39.38 1d5v s ASN 59 CO 0.84 -0.72 1.70 -0.62 -2.79 0.00 0.00 177.10 175.52 1d5v n GLU 60 N 6.46 1.63 -0.38 0.43 1.02 -1.26 -4.01 120.64 124.52 1d5v n GLU 60 Ca 0.07 -0.92 -0.02 0.00 -0.02 0.00 0.00 57.16 56.27 1d5v n GLU 60 Cb 0.48 -1.44 0.11 0.00 -0.02 0.00 0.00 31.44 30.57 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 -6.12 3.50 -0.10 0.00 0.08 -1.26 -4.29 117.98 109.81 1d5v s PHE 62 Ca -0.13 1.71 0.04 0.00 0.12 0.00 0.00 56.93 58.67 1d5v s PHE 62 Cb 0.18 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.68 1d5v s PHE 62 CO 0.82 -0.05 -0.22 0.08 -0.10 0.00 0.00 175.22 175.74 1d5v s VAL 63 N -1.77 1.94 0.31 -0.44 1.01 -1.13 -5.01 120.40 115.31 1d5v s VAL 63 Ca 0.55 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1d5v s VAL 63 Cb -0.17 -1.68 -0.10 0.00 0.00 0.00 0.00 36.38 34.43 1d5v s VAL 63 CO 0.22 0.53 1.31 -0.54 0.00 0.00 0.00 175.10 176.62 1d5v s LYS 64 N 0.39 4.36 -0.22 2.72 1.02 -1.26 -3.63 119.74 123.12 1d5v s LYS 64 Ca -0.18 2.20 -0.04 0.00 0.02 0.00 0.00 55.97 57.97 1d5v s LYS 64 Cb -0.18 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 1d5v s LYS 64 CO 0.08 -0.20 -0.05 0.08 -0.92 0.00 0.00 175.35 174.34 1d5v s VAL 65 N -0.93 3.30 1.08 3.17 1.01 0.35 -4.98 120.40 123.39 1d5v s VAL 65 Ca 0.50 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 1d5v s VAL 65 Cb -0.39 -2.50 0.25 0.00 0.00 0.00 0.00 36.38 33.74 1d5v s VAL 65 CO 0.50 0.43 1.25 -2.16 0.00 0.00 0.00 175.10 175.12 1d5v s PRO 66 N 1.47 -0.28 0.07 2.72 0.04 -1.26 -0.78 135.00 136.97 1d5v s PRO 66 Ca 0.06 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.77 1d5v s PRO 66 Cb -0.14 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1d5v s PRO 66 CO -0.04 -3.04 -0.05 -0.98 0.04 0.00 0.00 177.00 172.93 1d5v s ARG 67 N -5.74 0.68 1.09 4.56 1.70 -1.26 -4.67 118.95 115.32 1d5v s ARG 67 Ca 0.74 -1.21 -0.13 0.00 -0.47 0.00 0.00 55.73 54.66 1d5v s ARG 67 Cb -0.05 0.01 0.24 0.00 -0.57 0.00 0.00 34.95 34.58 1d5v s ARG 67 CO 0.54 -0.06 1.06 0.34 -1.08 0.00 0.00 175.30 176.10 1d5v s ASP 68 N -2.83 1.69 0.00 -2.89 -1.08 -1.26 -4.91 116.67 105.38 1d5v s ASP 68 Ca 0.07 1.37 0.27 0.00 -0.52 0.00 0.00 52.55 53.75 1d5v s ASP 68 Cb 0.05 -2.10 0.89 0.00 -1.46 0.00 0.00 42.92 40.30 1d5v s ASP 68 CO -0.07 -3.74 1.65 0.47 0.52 0.00 0.00 175.17 174.00 1d5v n ASP 69 N -4.60 1.13 -0.78 -0.34 8.00 -1.26 -3.60 116.55 115.10 1d5v n ASP 69 Ca 0.04 -1.06 0.10 0.00 0.71 0.00 0.00 54.79 54.58 1d5v n ASP 69 Cb 0.56 0.08 0.30 0.00 -0.02 0.00 0.00 41.12 42.03 1d5v n ASP 69 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1d5v n LYS 70 N -0.41 2.01 -3.60 -1.24 5.02 -1.26 -4.51 118.16 114.18 1d5v n LYS 70 Ca 0.15 -1.53 -0.27 0.00 -2.02 0.00 0.00 58.31 54.63 1d5v n LYS 70 Cb 0.34 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 33.83 1d5v n LYS 70 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1d5v n LYS 71 N 0.75 1.10 0.00 1.97 4.76 -1.24 -5.11 118.16 120.39 1d5v n LYS 71 Ca 0.17 -3.85 0.00 0.00 -2.87 0.00 0.00 58.31 51.76 1d5v n LYS 71 Cb 0.42 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 1d5v n LYS 71 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1d5v n PRO 72 N 2.22 -0.14 0.00 1.97 -0.02 -1.26 -4.27 135.00 133.49 1d5v n PRO 72 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1d5v n PRO 72 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1d5v n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d5v n GLY 73 N 3.31 0.63 3.75 -1.23 0.00 -1.26 -4.83 105.19 105.57 1d5v n GLY 73 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 4.39 0.00 1.61 3.01 -1.26 -5.02 119.74 122.47 1d5v s LYS 74 Ca 0.00 2.12 0.00 0.00 -1.01 0.00 0.00 55.97 57.08 1d5v s LYS 74 Cb 0.00 -3.13 0.00 0.00 -1.01 0.00 0.00 37.83 33.69 1d5v s LYS 74 CO 0.00 -0.18 0.00 0.41 0.51 0.00 0.00 175.35 176.09 1d5v n GLY 75 N 1.51 1.38 3.72 -3.33 0.00 -1.26 -5.00 105.19 102.20 1d5v n GLY 75 Ca 0.03 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.00 7.34 0.64 1.61 0.01 -1.26 -4.73 113.70 116.31 1d5v s SER 76 Ca 0.00 1.79 -0.11 0.00 1.31 0.00 0.00 55.95 58.94 1d5v s SER 76 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1d5v s SER 76 CO 0.00 -0.25 1.04 -0.31 0.41 0.00 0.00 173.24 174.13 1d5v s TYR 77 N 0.69 3.46 -0.05 2.43 1.51 0.03 -4.41 117.35 121.02 1d5v s TYR 77 Ca 0.52 1.33 0.03 0.00 -1.01 0.00 0.00 57.07 57.94 1d5v s TYR 77 Cb -0.24 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 38.81 1d5v s TYR 77 CO 0.29 -0.86 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.17 1d5v s TRP 78 N -3.13 2.76 0.08 2.71 0.52 0.27 -0.49 118.94 121.66 1d5v s TRP 78 Ca 0.56 -0.11 -0.04 0.00 0.02 0.00 0.00 56.10 56.52 1d5v s TRP 78 Cb -0.12 -1.65 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1d5v s TRP 78 CO 0.54 0.22 0.08 -0.08 0.02 0.00 0.00 176.95 177.73 1d5v s THR 79 N -0.75 0.17 0.00 2.01 -1.32 -1.24 -3.74 115.64 110.78 1d5v s THR 79 Ca 0.12 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.04 1d5v s THR 79 Cb -0.11 -1.51 0.00 0.00 -1.51 0.00 0.00 72.50 69.38 1d5v s THR 79 CO 0.01 -0.79 0.00 0.18 -2.21 0.00 0.00 174.62 171.81 1d5v n LEU 80 N 0.01 0.00 -3.28 9.08 4.77 -1.26 -2.85 117.00 123.47 1d5v n LEU 80 Ca -0.13 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.60 1d5v n LEU 80 Cb 0.62 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 1d5v n LEU 80 CO 0.26 0.00 -0.26 -0.67 -1.33 0.00 0.00 177.39 175.39 1d5v n ASP 81 N 0.00 0.50 0.00 -1.43 2.03 -1.26 -3.39 116.55 113.00 1d5v n ASP 81 Ca 0.00 -2.72 0.00 0.00 0.52 0.00 0.00 54.79 52.59 1d5v n ASP 81 Cb 0.00 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1d5v n ASP 81 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1d5v n PRO 82 N 1.68 0.04 -2.89 -0.67 -0.02 -1.26 -4.54 135.00 127.34 1d5v n PRO 82 Ca 0.24 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.28 1d5v n PRO 82 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 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 0.00 5.22 0.08 2.55 8.00 -1.26 -4.77 116.55 126.38 1d5v n ASP 83 Ca 0.00 -3.00 0.06 0.00 0.71 0.00 0.00 54.79 52.57 1d5v n ASP 83 Cb 0.00 -1.56 0.32 0.00 -0.02 0.00 0.00 41.12 39.86 1d5v n ASP 83 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1d5v n SER 84 N 5.37 0.30 0.23 -2.24 3.41 -1.26 -1.42 113.62 118.01 1d5v n SER 84 Ca 0.37 0.63 0.16 0.00 -0.26 0.00 0.00 58.87 59.76 1d5v n SER 84 Cb 0.42 -0.67 0.83 0.00 -0.26 0.00 0.00 64.21 64.53 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 0.00 0.00 0.00 7.33 5.03 -1.90 0.34 116.97 127.77 1d5v h TYR 85 Ca 0.00 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 1d5v h TYR 85 Cb 0.05 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.33 1d5v h TYR 85 CO 0.00 0.00 -0.00 -0.91 -1.32 0.00 0.00 178.16 175.93 1d5v h ASN 86 N 0.00 0.00 -2.55 -2.11 -0.26 -1.65 -3.43 115.58 105.57 1d5v h ASN 86 Ca 0.05 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.66 1d5v h ASN 86 Cb 0.29 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 37.60 1d5v h ASN 86 CO -0.00 0.00 0.13 0.23 -1.06 0.00 0.00 177.43 176.73 1d5v n MET 87 N -3.10 -0.39 0.00 0.81 2.81 0.12 -5.06 117.12 112.31 1d5v n MET 87 Ca 0.00 -0.62 0.00 0.00 -1.81 0.00 0.00 57.70 55.28 1d5v n MET 87 Cb 0.30 -0.41 0.00 0.00 -0.71 0.00 0.00 33.22 32.40 1d5v n MET 87 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1d5v n PHE 88 N -2.56 0.00 -1.62 2.03 3.72 -1.26 -4.94 117.46 112.83 1d5v n PHE 88 Ca 0.05 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.50 1d5v n PHE 88 Cb 0.17 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.79 1d5v n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1d5v n GLU 89 N 0.00 0.65 -4.80 -1.08 -0.58 -1.26 -4.90 120.64 108.67 1d5v n GLU 89 Ca 0.00 -1.91 -0.27 0.00 -0.42 0.00 0.00 57.16 54.56 1d5v n GLU 89 Cb 0.00 -0.96 -0.17 0.00 -0.57 0.00 0.00 31.44 29.74 1d5v n GLU 89 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1d5v s ASN 90 N -2.03 2.20 0.00 1.62 3.04 -1.26 -5.05 114.94 113.46 1d5v s ASN 90 Ca 0.19 -0.38 0.00 0.00 0.04 0.00 0.00 52.86 52.71 1d5v s ASN 90 Cb 0.17 -0.98 0.00 0.00 -1.54 0.00 0.00 41.25 38.90 1d5v s ASN 90 CO -0.01 0.08 0.00 0.61 -3.04 0.00 0.00 177.10 174.74 1d5v n GLY 91 N 3.67 -0.68 0.38 1.21 0.00 -1.26 -4.96 105.19 103.55 1d5v n GLY 91 Ca -0.21 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.72 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 2.20 -4.68 1.61 3.41 -1.26 -4.98 113.62 109.93 1d5v n SER 92 Ca 0.00 -1.71 -0.42 0.00 -0.26 0.00 0.00 58.87 56.49 1d5v n SER 92 Cb 0.00 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 1d5v n SER 92 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1d5v s PHE 93 N -0.84 3.46 -2.49 7.33 2.19 -1.26 -5.21 117.98 121.16 1d5v s PHE 93 Ca 0.13 1.38 0.20 0.00 0.33 0.00 0.00 56.93 58.96 1d5v s PHE 93 Cb 0.07 -3.07 0.16 0.00 -1.31 0.00 0.00 43.02 38.87 1d5v s PHE 93 CO 0.10 -0.23 1.13 1.28 1.83 0.00 0.00 175.22 179.33