#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 3.09 0.10 -0.89 1.43 -1.26 -5.12 118.68 116.03 1d5v s LEU 2 Ca 0.00 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1d5v s LEU 2 Cb 0.00 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1d5v s LEU 2 CO 0.00 0.36 -0.06 0.68 0.23 0.00 0.00 176.35 177.56 1d5v s VAL 3 N -0.80 0.66 0.55 -1.59 -7.23 -1.26 -5.12 120.40 105.60 1d5v s VAL 3 Ca 0.12 -1.93 -0.19 0.00 -1.81 0.00 0.00 61.98 58.17 1d5v s VAL 3 Cb -0.11 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.09 1d5v s VAL 3 CO 0.01 -0.88 1.12 -0.54 -0.31 0.00 0.00 175.10 174.51 1d5v s LYS 4 N -3.84 3.35 0.13 4.82 3.01 -1.26 -4.98 119.74 120.96 1d5v s LYS 4 Ca 0.12 1.58 -0.28 0.00 -1.01 0.00 0.00 55.97 56.38 1d5v s LYS 4 Cb 0.05 -2.01 -0.07 0.00 -1.01 0.00 0.00 37.83 34.80 1d5v s LYS 4 CO -0.05 -0.85 0.89 -1.25 0.51 0.00 0.00 175.35 174.61 1d5v s PRO 5 N -3.33 4.67 0.52 -1.68 0.04 -1.26 -4.90 135.00 129.05 1d5v s PRO 5 Ca 0.72 1.34 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1d5v s PRO 5 Cb -0.23 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1d5v s PRO 5 CO 0.27 0.34 0.88 -2.30 0.04 0.00 0.00 177.00 176.23 1d5v n PRO 6 N 2.38 0.02 -2.10 0.56 -0.02 -1.26 -4.52 135.00 130.07 1d5v n PRO 6 Ca -0.01 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 1d5v n PRO 6 Cb 0.49 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 1d5v n PRO 6 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1d5v s TYR 7 N -3.54 3.08 0.91 6.00 2.02 -1.26 -5.00 117.35 119.56 1d5v s TYR 7 Ca 0.00 0.80 -0.13 0.00 -0.37 0.00 0.00 57.07 57.37 1d5v s TYR 7 Cb 0.00 -3.77 0.18 0.00 -0.40 0.00 0.00 41.96 37.97 1d5v s TYR 7 CO 0.00 -2.78 1.26 -1.54 -1.57 0.00 0.00 175.55 170.92 1d5v s SER 8 N 1.32 3.45 0.23 2.29 1.04 -1.26 -4.72 113.70 116.04 1d5v s SER 8 Ca 0.67 0.21 -0.08 0.00 0.48 0.00 0.00 55.95 57.23 1d5v s SER 8 Cb -0.38 -0.36 0.20 0.00 0.10 0.00 0.00 66.02 65.58 1d5v s SER 8 CO 0.30 -2.51 1.90 1.88 0.98 0.00 0.00 173.24 175.79 1d5v h TYR 9 N -1.41 1.08 -0.24 5.02 0.05 -1.97 0.83 116.97 120.34 1d5v h TYR 9 Ca -0.43 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.37 1d5v h TYR 9 Cb 1.25 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 1d5v h TYR 9 CO -0.86 0.68 0.14 0.82 -1.05 0.00 0.00 178.16 177.89 1d5v h ILE 10 N 1.16 1.10 -0.47 -2.88 1.08 -1.99 -1.27 117.51 114.23 1d5v h ILE 10 Ca 0.32 -0.24 -0.09 0.00 -0.39 0.00 0.00 64.86 64.46 1d5v h ILE 10 Cb -0.13 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 1d5v h ILE 10 CO -0.07 0.09 -0.04 0.00 -0.69 0.00 0.00 178.15 177.44 1d5v h ALA 11 N 1.04 0.64 -0.44 1.87 0.00 -1.80 -1.09 119.26 119.48 1d5v h ALA 11 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1d5v h ALA 11 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1d5v h ALA 11 CO -0.02 0.49 0.29 -0.07 0.00 0.00 0.00 179.25 179.94 1d5v h LEU 12 N 0.71 0.51 -0.87 0.00 3.38 -0.65 0.27 115.31 118.66 1d5v h LEU 12 Ca 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1d5v h LEU 12 Cb 0.57 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1d5v h LEU 12 CO 0.03 0.37 0.43 0.40 0.09 0.00 0.00 178.44 179.76 1d5v h ILE 13 N 0.60 1.26 -0.86 1.22 2.04 -1.11 -1.26 117.51 119.40 1d5v h ILE 13 Ca 0.16 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1d5v h ILE 13 Cb -0.07 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.11 1d5v h ILE 13 CO -0.03 0.31 0.42 0.74 0.00 0.00 0.00 178.15 179.58 1d5v h THR 14 N 1.23 1.26 -0.63 -0.27 2.02 -0.10 -2.43 112.91 113.99 1d5v h THR 14 Ca 0.30 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.66 1d5v h THR 14 Cb 0.10 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1d5v h THR 14 CO -0.04 0.31 0.04 0.24 0.37 0.00 0.00 175.52 176.44 1d5v h MET 15 N 1.22 1.09 -0.37 6.66 2.86 0.25 -2.39 114.93 124.25 1d5v h MET 15 Ca 0.30 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1d5v h MET 15 Cb 0.11 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1d5v h MET 15 CO -0.04 1.04 0.25 0.00 1.06 0.00 0.00 176.91 179.22 1d5v h ALA 16 N 1.02 0.47 -0.00 6.32 0.00 -0.81 1.07 119.26 127.34 1d5v h ALA 16 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1d5v h ALA 16 Cb 0.52 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1d5v h ALA 16 CO 0.03 -0.07 0.00 0.82 0.00 0.00 0.00 179.25 180.03 1d5v h ILE 17 N 0.51 1.00 -0.68 0.00 2.04 -1.31 0.37 117.51 119.44 1d5v h ILE 17 Ca 0.14 -0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.91 1d5v h ILE 17 Cb -0.06 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1d5v h ILE 17 CO -0.03 0.00 0.11 1.56 0.00 0.00 0.00 178.15 179.79 1d5v h GLN 18 N 0.00 1.12 -0.01 2.37 4.20 -1.09 -2.37 115.11 119.33 1d5v h GLN 18 Ca 0.00 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1d5v h GLN 18 Cb 0.00 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1d5v h GLN 18 CO -0.00 1.02 0.00 0.09 -0.67 0.00 0.00 178.83 179.27 1d5v n ASN 19 N -4.21 0.48 -4.80 1.46 5.03 0.37 -4.85 115.26 108.73 1d5v n ASN 19 Ca 0.04 -1.22 -0.34 0.00 0.87 0.00 0.00 54.58 53.93 1d5v n ASN 19 Cb 0.30 -0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 38.99 1d5v n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1d5v s ALA 20 N -1.99 3.04 0.50 5.41 0.00 0.13 -4.91 121.76 123.93 1d5v s ALA 20 Ca 0.42 0.52 0.32 0.00 0.00 0.00 0.00 51.96 53.22 1d5v s ALA 20 Cb 0.20 -3.20 1.77 0.00 0.00 0.00 0.00 23.12 21.89 1d5v s ALA 20 CO 0.34 -0.02 2.19 -1.00 0.00 0.00 0.00 175.76 177.26 1d5v h PRO 21 N 2.13 0.00 -4.19 0.00 0.13 -1.88 -3.42 132.00 124.77 1d5v h PRO 21 Ca -0.49 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.42 1d5v h PRO 21 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 1d5v h PRO 21 CO 0.61 0.05 -0.72 -1.21 -0.23 0.00 0.00 178.00 176.51 1d5v s GLU 22 N -4.27 0.37 0.31 0.86 2.02 -1.26 -5.03 118.70 111.70 1d5v s GLU 22 Ca -0.04 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1d5v s GLU 22 Cb 0.13 -0.07 0.50 0.00 0.10 0.00 0.00 34.13 34.79 1d5v s GLU 22 CO 0.53 -0.00 1.92 0.87 0.02 0.00 0.00 175.26 178.60 1d5v h LYS 23 N 4.77 0.87 -5.88 1.61 1.79 -1.82 -3.38 116.57 114.53 1d5v h LYS 23 Ca -0.33 -0.10 -0.59 0.00 -2.18 0.00 0.00 60.65 57.45 1d5v h LYS 23 Cb 1.21 -0.17 -0.08 0.00 -1.58 0.00 0.00 32.23 31.60 1d5v h LYS 23 CO 0.42 0.66 0.55 0.15 -1.08 0.00 0.00 179.45 180.16 1d5v s LYS 24 N -5.54 4.16 0.04 3.15 1.02 -1.25 -4.28 119.74 117.05 1d5v s LYS 24 Ca -0.10 0.99 0.01 0.00 0.02 0.00 0.00 55.97 56.88 1d5v s LYS 24 Cb 0.17 -3.66 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1d5v s LYS 24 CO 0.78 -0.59 -0.05 -1.50 -0.92 0.00 0.00 175.35 173.08 1d5v s ILE 25 N 2.98 0.34 0.50 2.17 2.07 -1.21 -4.85 121.20 123.21 1d5v s ILE 25 Ca 0.37 -1.23 -0.17 0.00 -1.41 0.00 0.00 60.65 58.21 1d5v s ILE 25 Cb -0.15 -0.74 -0.08 0.00 0.13 0.00 0.00 42.46 41.62 1d5v s ILE 25 CO 0.08 -0.58 0.98 0.42 -1.91 0.00 0.00 174.94 173.93 1d5v s THR 26 N -2.06 4.51 0.25 4.00 -4.23 -1.26 -2.52 115.64 114.32 1d5v s THR 26 Ca -0.07 1.25 -0.06 0.00 -1.18 0.00 0.00 61.69 61.63 1d5v s THR 26 Cb -0.05 -3.70 0.25 0.00 1.34 0.00 0.00 72.50 70.33 1d5v s THR 26 CO -0.02 -0.63 1.92 0.25 -0.54 0.00 0.00 174.62 175.60 1d5v h LEU 27 N 1.07 1.13 -0.99 4.79 5.85 -1.97 -1.64 115.31 123.54 1d5v h LEU 27 Ca -0.47 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.23 1d5v h LEU 27 Cb 1.18 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1d5v h LEU 27 CO 0.61 0.82 0.65 0.78 -0.34 0.00 0.00 178.44 180.96 1d5v h ASN 28 N 1.33 1.15 -0.71 1.25 -0.26 -1.99 -2.40 115.58 113.95 1d5v h ASN 28 Ca 0.36 -0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 56.02 1d5v h ASN 28 Cb -0.15 -0.29 -0.03 0.00 -1.06 0.00 0.00 38.32 36.79 1d5v h ASN 28 CO -0.08 0.84 0.30 1.23 -1.06 0.00 0.00 177.43 178.66 1d5v h GLY 29 N 1.35 1.15 1.01 2.83 0.00 -1.68 -2.73 103.07 105.00 1d5v h GLY 29 Ca 0.36 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 47.09 1d5v h GLY 29 CO -0.08 0.57 0.64 -2.22 0.00 0.00 0.00 176.54 175.45 1d5v h ILE 30 N 1.05 1.25 -0.81 2.60 2.04 -1.05 -2.33 117.51 120.27 1d5v h ILE 30 Ca 0.25 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1d5v h ILE 30 Cb 0.19 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.06 1d5v h ILE 30 CO -0.02 0.24 0.54 1.88 0.00 0.00 0.00 178.15 180.79 1d5v h TYR 31 N 1.31 1.02 -0.98 1.37 0.05 -1.40 -2.34 116.97 116.01 1d5v h TYR 31 Ca 0.35 0.02 0.01 0.00 0.05 0.00 0.00 58.73 59.16 1d5v h TYR 31 Cb -0.15 -0.35 -0.05 0.00 1.01 0.00 0.00 36.73 37.20 1d5v h TYR 31 CO -0.00 0.65 0.64 1.96 -1.05 0.00 0.00 178.16 180.35 1d5v h GLN 32 N 1.10 1.29 -0.04 4.88 4.20 -1.37 -2.83 115.11 122.35 1d5v h GLN 32 Ca 0.30 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1d5v h GLN 32 Cb -0.13 -0.29 -0.00 0.00 0.30 0.00 0.00 27.48 27.36 1d5v h GLN 32 CO -0.06 0.86 0.02 0.35 -0.67 0.00 0.00 178.83 179.33 1d5v h PHE 33 N 1.33 0.05 -0.02 2.96 3.57 -1.18 -2.67 116.94 120.97 1d5v h PHE 33 Ca 0.36 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1d5v h PHE 33 Cb -0.14 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 1d5v h PHE 33 CO -0.00 0.08 0.01 0.82 -2.23 0.00 0.00 178.31 176.98 1d5v h ILE 34 N 0.00 1.00 -1.01 1.41 2.04 -1.31 -2.03 117.51 117.62 1d5v h ILE 34 Ca 0.01 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1d5v h ILE 34 Cb 0.04 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1d5v h ILE 34 CO -0.00 0.00 0.67 0.24 0.00 0.00 0.00 178.15 179.06 1d5v h MET 35 N 0.02 1.33 -0.18 2.37 2.86 -1.50 0.10 114.93 119.92 1d5v h MET 35 Ca 0.01 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1d5v h MET 35 Cb 0.00 -0.30 -0.00 0.00 0.06 0.00 0.00 31.60 31.36 1d5v h MET 35 CO -0.00 0.88 -0.09 -0.44 1.06 0.00 0.00 176.91 178.32 1d5v h ASP 36 N 1.37 0.40 -0.37 1.22 3.32 -1.29 -3.19 116.42 117.87 1d5v h ASP 36 Ca 0.37 -0.41 -0.16 0.00 0.02 0.00 0.00 57.03 56.85 1d5v h ASP 36 Cb -0.16 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1d5v h ASP 36 CO -0.08 0.72 -0.41 0.03 -1.72 0.00 0.00 179.24 177.78 1d5v h ARG 37 N 0.07 0.93 -4.72 3.56 2.47 -1.20 -3.40 114.38 112.09 1d5v h ARG 37 Ca 0.04 -0.51 -0.65 0.00 -1.26 0.00 0.00 59.98 57.60 1d5v h ARG 37 Cb 0.57 0.02 -0.37 0.00 -1.65 0.00 0.00 29.97 28.54 1d5v h ARG 37 CO 0.03 1.16 -0.80 -0.06 0.56 0.00 0.00 179.97 180.86 1d5v s PHE 38 N -4.36 3.02 -0.93 3.04 0.08 0.33 -4.99 117.98 114.17 1d5v s PHE 38 Ca -0.11 -2.16 0.28 0.00 0.12 0.00 0.00 56.93 55.06 1d5v s PHE 38 Cb 0.11 -1.83 1.11 0.00 -0.57 0.00 0.00 43.02 41.84 1d5v s PHE 38 CO 0.88 -0.85 1.87 -0.35 -0.10 0.00 0.00 175.22 176.68 1d5v n PRO 39 N 4.50 0.07 -0.15 0.24 -0.04 -1.21 -3.66 135.00 134.75 1d5v n PRO 39 Ca -0.13 0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.44 1d5v n PRO 39 Cb 0.43 -1.58 0.35 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.00 0.74 0.00 0.54 0.04 -1.93 -1.15 116.94 115.18 1d5v h PHE 40 Ca 0.00 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 1d5v h PHE 40 Cb 0.55 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1d5v h PHE 40 CO 0.00 0.42 -0.36 1.88 -0.60 0.00 0.00 178.31 179.65 1d5v h TYR 41 N 0.75 0.00 -1.01 -0.55 -1.99 -1.83 -2.89 116.97 109.45 1d5v h TYR 41 Ca 0.27 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.01 1d5v h TYR 41 Cb 0.13 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.81 1d5v h TYR 41 CO -0.00 0.36 0.67 0.00 -0.00 0.00 0.00 178.16 179.19 1d5v h ARG 42 N 0.00 1.32 -0.59 4.88 3.08 -1.42 -1.92 114.38 119.74 1d5v h ARG 42 Ca -0.00 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 1d5v h ARG 42 Cb 0.66 -0.30 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1d5v h ARG 42 CO 0.05 0.87 -0.05 0.93 -1.07 0.00 0.00 179.97 180.71 1d5v h GLU 43 N 1.36 1.07 -4.50 0.04 3.07 -1.56 -3.38 114.58 110.68 1d5v h GLU 43 Ca 0.37 -0.36 -0.71 0.00 -0.50 0.00 0.00 59.36 58.15 1d5v h GLU 43 Cb -0.15 -0.08 -0.27 0.00 -0.84 0.00 0.00 28.75 27.40 1d5v h GLU 43 CO -0.08 1.07 -0.49 -0.80 -1.40 0.00 0.00 179.01 177.31 1d5v s ASN 44 N -6.61 5.65 -0.24 1.42 0.01 -0.72 -4.92 114.94 109.51 1d5v s ASN 44 Ca -0.12 -1.35 -0.04 0.00 -0.71 0.00 0.00 52.86 50.64 1d5v s ASN 44 Cb 0.13 -1.99 -0.17 0.00 0.41 0.00 0.00 41.25 39.63 1d5v s ASN 44 CO 0.86 -0.49 -0.17 0.29 -1.51 0.00 0.00 177.10 176.09 1d5v n LYS 45 N 4.93 0.65 -2.65 -0.60 5.02 -1.24 -4.67 118.16 119.60 1d5v n LYS 45 Ca -0.11 0.21 -0.40 0.00 -2.02 0.00 0.00 58.31 55.99 1d5v n LYS 45 Cb 0.44 -1.55 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.52 4.77 0.00 1.97 -1.52 -1.26 -3.16 119.66 117.95 1d5v s GLN 46 Ca -0.34 1.60 0.00 0.00 -1.95 0.00 0.00 55.36 54.67 1d5v s GLN 46 Cb 0.10 -3.23 0.00 0.00 -0.22 0.00 0.00 33.01 29.66 1d5v s GLN 46 CO 0.60 0.40 0.00 0.41 -0.25 0.00 0.00 175.29 176.45 1d5v n GLY 47 N 1.36 2.81 0.06 3.09 0.00 -1.26 -4.73 105.19 106.51 1d5v n GLY 47 Ca -0.02 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.38 1d5v n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1d5v n TRP 48 N 0.00 0.49 0.25 1.61 4.27 -1.26 -3.57 117.44 119.23 1d5v n TRP 48 Ca 0.00 0.14 -0.11 0.00 -3.89 0.00 0.00 57.50 53.65 1d5v n TRP 48 Cb 0.00 -0.61 -0.05 0.00 -1.36 0.00 0.00 31.31 29.29 1d5v n TRP 48 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 1d5v h GLN 49 N 0.00 -0.66 0.00 -2.67 5.75 -1.83 -3.11 115.11 112.58 1d5v h GLN 49 Ca 0.00 0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.43 1d5v h GLN 49 Cb 0.74 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 1d5v h GLN 49 CO 0.00 -0.44 -0.54 -0.91 -2.65 0.00 0.00 178.83 174.29 1d5v h ASN 50 N -1.18 0.00 -0.89 -0.69 2.35 -1.86 -3.14 115.58 110.16 1d5v h ASN 50 Ca -0.07 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1d5v h ASN 50 Cb 0.53 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 1d5v h ASN 50 CO 0.12 0.54 0.59 0.28 -1.65 0.00 0.00 177.43 177.30 1d5v h SER 51 N 0.00 1.02 -0.53 5.81 0.02 -1.65 -1.93 113.55 116.30 1d5v h SER 51 Ca -0.01 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1d5v h SER 51 Cb 1.03 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 1d5v h SER 51 CO 0.07 0.74 0.35 0.40 -1.14 0.00 0.00 176.83 177.25 1d5v h ILE 52 N 1.21 1.13 -0.23 3.27 1.08 -1.48 -1.24 117.51 121.25 1d5v h ILE 52 Ca 0.33 -0.25 -0.08 0.00 -0.39 0.00 0.00 64.86 64.48 1d5v h ILE 52 Cb -0.14 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 33.97 1d5v h ILE 52 CO -0.07 0.13 -0.16 0.03 -0.69 0.00 0.00 178.15 177.39 1d5v h ARG 53 N 0.71 0.51 -0.84 2.37 3.08 -1.56 -2.20 114.38 116.45 1d5v h ARG 53 Ca 0.19 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1d5v h ARG 53 Cb -0.08 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1d5v h ARG 53 CO -0.04 0.81 0.56 0.45 -1.07 0.00 0.00 179.97 180.67 1d5v h HIS 54 N 0.21 1.06 -0.69 3.04 3.86 -1.20 -0.72 115.15 120.71 1d5v h HIS 54 Ca 0.05 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1d5v h HIS 54 Cb 0.68 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 1d5v h HIS 54 CO 0.07 0.67 0.35 -0.97 0.86 0.00 0.00 177.93 178.91 1d5v h ASN 55 N 1.14 0.88 -0.32 2.45 -0.73 -1.16 0.39 115.58 118.23 1d5v h ASN 55 Ca 0.31 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1d5v h ASN 55 Cb -0.13 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.22 1d5v h ASN 55 CO -0.07 0.74 0.21 -0.07 -0.37 0.00 0.00 177.43 177.87 1d5v h LEU 56 N 0.95 0.37 -0.28 0.34 3.38 -0.65 0.47 115.31 119.88 1d5v h LEU 56 Ca 0.24 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1d5v h LEU 56 Cb 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1d5v h LEU 56 CO -0.03 0.27 -0.36 -1.28 0.09 0.00 0.00 178.44 177.12 1d5v h SER 57 N 0.43 0.80 -0.60 -0.43 0.87 -0.80 -3.18 113.55 110.64 1d5v h SER 57 Ca 0.12 -0.50 -0.10 0.00 -1.23 0.00 0.00 61.79 60.08 1d5v h SER 57 Cb -0.05 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1d5v h SER 57 CO -0.02 1.14 -0.02 -0.07 -0.53 0.00 0.00 176.83 177.33 1d5v h LEU 58 N 0.49 1.06 -9.14 2.23 3.38 0.02 -3.41 115.31 109.94 1d5v h LEU 58 Ca 0.03 -0.31 -0.57 0.00 0.09 0.00 0.00 57.88 57.13 1d5v h LEU 58 Cb 0.95 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1d5v h LEU 58 CO 0.09 1.12 0.92 0.20 0.09 0.00 0.00 178.44 180.85 1d5v s ASN 59 N -6.59 6.91 0.00 -0.43 0.01 0.16 -4.85 114.94 110.15 1d5v s ASN 59 Ca -0.12 1.70 0.27 0.00 -0.71 0.00 0.00 52.86 54.01 1d5v s ASN 59 Cb 0.14 -2.54 0.91 0.00 0.41 0.00 0.00 41.25 40.16 1d5v s ASN 59 CO 0.86 -0.79 1.66 -0.62 -1.51 0.00 0.00 177.10 176.70 1d5v n GLU 60 N 6.68 1.21 -0.31 -0.60 1.02 -1.26 -3.96 120.64 123.43 1d5v n GLU 60 Ca 0.14 -0.70 -0.05 0.00 -0.02 0.00 0.00 57.16 56.53 1d5v n GLU 60 Cb 0.45 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.46 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 -5.66 3.40 -0.08 0.00 0.08 -1.25 -4.42 117.98 110.04 1d5v s PHE 62 Ca -0.12 1.49 0.02 0.00 0.12 0.00 0.00 56.93 58.43 1d5v s PHE 62 Cb 0.16 -2.78 0.01 0.00 -0.57 0.00 0.00 43.02 39.84 1d5v s PHE 62 CO 0.84 -0.24 -0.13 0.08 -0.10 0.00 0.00 175.22 175.67 1d5v s VAL 63 N -2.42 1.27 0.36 -0.44 1.01 -1.23 -5.02 120.40 113.93 1d5v s VAL 63 Ca 0.59 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 1d5v s VAL 63 Cb -0.10 -1.16 -0.10 0.00 0.00 0.00 0.00 36.38 35.02 1d5v s VAL 63 CO 0.24 0.39 0.81 -0.54 0.00 0.00 0.00 175.10 176.00 1d5v s LYS 64 N 0.81 4.08 -0.54 2.72 1.02 -1.26 -3.58 119.74 122.98 1d5v s LYS 64 Ca -0.11 0.82 0.04 0.00 0.02 0.00 0.00 55.97 56.74 1d5v s LYS 64 Cb -0.15 -2.34 0.17 0.00 -0.52 0.00 0.00 37.83 34.98 1d5v s LYS 64 CO 0.02 0.09 0.41 0.14 -0.92 0.00 0.00 175.35 175.09 1d5v s VAL 65 N -2.05 1.46 0.99 3.17 -7.23 -0.94 -4.92 120.40 110.88 1d5v s VAL 65 Ca 0.57 -3.38 -0.16 0.00 -1.81 0.00 0.00 61.98 57.20 1d5v s VAL 65 Cb -0.10 -1.98 -0.10 0.00 0.56 0.00 0.00 36.38 34.77 1d5v s VAL 65 CO 0.16 -1.14 -0.50 -2.65 -0.31 0.00 0.00 175.10 170.67 1d5v n PRO 66 N 2.45 -0.11 -1.72 4.82 -0.02 -1.26 -3.58 135.00 135.58 1d5v n PRO 66 Ca 0.26 -0.02 -0.31 0.00 -2.02 0.00 0.00 63.50 61.40 1d5v n PRO 66 Cb 0.42 -1.25 0.03 0.00 -0.02 0.00 0.00 33.50 32.69 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 -2.48 3.17 0.71 -0.52 0.52 -1.26 -4.84 118.95 114.25 1d5v s ARG 67 Ca 0.45 0.93 -0.14 0.00 -0.52 0.00 0.00 55.73 56.44 1d5v s ARG 67 Cb -0.17 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.30 1d5v s ARG 67 CO 0.78 -0.91 1.14 -0.51 0.02 0.00 0.00 175.30 175.82 1d5v s ASP 68 N -3.77 4.63 0.58 0.23 1.01 -1.26 -4.85 116.67 113.24 1d5v s ASP 68 Ca 0.58 2.11 0.39 0.00 0.71 0.00 0.00 52.55 56.34 1d5v s ASP 68 Cb -0.13 -2.56 2.04 0.00 1.01 0.00 0.00 42.92 43.28 1d5v s ASP 68 CO 0.52 -1.96 2.18 0.44 0.21 0.00 0.00 175.17 176.57 1d5v h ASP 69 N -0.28 0.00 0.67 0.27 3.32 -1.99 0.97 116.42 119.39 1d5v h ASP 69 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1d5v h ASP 69 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1d5v h ASP 69 CO 0.52 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 178.33 1d5v n LYS 70 N -2.91 0.06 -3.64 3.56 5.02 -1.26 -4.05 118.16 114.94 1d5v n LYS 70 Ca -0.02 0.12 -0.27 0.00 -2.02 0.00 0.00 58.31 56.12 1d5v n LYS 70 Cb 0.10 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.46 1.02 0.00 1.97 4.76 0.34 -5.11 118.16 119.69 1d5v n LYS 71 Ca 0.06 -3.84 0.00 0.00 -2.87 0.00 0.00 58.31 51.67 1d5v n LYS 71 Cb 0.23 -1.98 0.00 0.00 -1.84 0.00 0.00 35.03 31.45 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 2.38 2.86 0.00 1.97 -0.02 -1.26 -4.57 135.00 136.37 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 0.00 3.71 3.78 -1.23 0.00 -1.26 -4.68 105.19 105.51 1d5v n GLY 73 Ca 0.00 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 4.11 -0.28 1.61 -0.14 -1.26 -4.93 119.74 118.85 1d5v s LYS 74 Ca 0.00 2.52 0.17 0.00 -1.36 0.00 0.00 55.97 57.30 1d5v s LYS 74 Cb 0.00 -2.96 0.49 0.00 -1.68 0.00 0.00 37.83 33.68 1d5v s LYS 74 CO 0.00 -0.51 1.13 0.41 -0.76 0.00 0.00 175.35 175.62 1d5v n GLY 75 N 0.50 3.40 3.41 -3.33 0.00 -1.26 -4.41 105.19 103.51 1d5v n GLY 75 Ca 0.01 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.70 -0.68 0.13 1.61 0.01 -1.26 -4.17 113.70 105.64 1d5v s SER 76 Ca 0.35 1.14 0.04 0.00 1.31 0.00 0.00 55.95 58.80 1d5v s SER 76 Cb 0.36 1.07 -0.04 0.00 0.21 0.00 0.00 66.02 67.62 1d5v s SER 76 CO -0.01 -0.21 -0.10 -0.31 0.41 0.00 0.00 173.24 173.01 1d5v s TYR 77 N 1.60 1.20 -0.05 2.43 2.02 -1.23 -4.68 117.35 118.63 1d5v s TYR 77 Ca -0.09 -0.73 0.05 0.00 -0.37 0.00 0.00 57.07 55.93 1d5v s TYR 77 Cb -0.08 -0.62 -0.01 0.00 -0.40 0.00 0.00 41.96 40.85 1d5v s TYR 77 CO -0.16 0.05 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.08 1d5v s TRP 78 N -3.07 2.12 0.14 2.71 0.52 -1.05 -2.22 118.94 118.09 1d5v s TRP 78 Ca 0.13 -0.64 -0.15 0.00 0.02 0.00 0.00 56.10 55.46 1d5v s TRP 78 Cb 0.01 -1.41 0.03 0.00 -1.15 0.00 0.00 33.47 30.95 1d5v s TRP 78 CO 0.00 -0.21 0.39 -0.08 0.02 0.00 0.00 176.95 177.07 1d5v s THR 79 N -0.02 0.07 0.63 2.01 -1.32 -1.23 -3.28 115.64 112.49 1d5v s THR 79 Ca -0.05 -0.76 -0.11 0.00 -1.21 0.00 0.00 61.69 59.56 1d5v s THR 79 Cb -0.13 -1.32 -0.04 0.00 -1.51 0.00 0.00 72.50 69.50 1d5v s THR 79 CO 0.03 -0.32 1.03 -0.76 -2.21 0.00 0.00 174.62 172.40 1d5v s LEU 80 N -2.84 3.22 1.16 9.08 1.43 -1.26 -3.58 118.68 125.89 1d5v s LEU 80 Ca 0.06 1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 54.42 1d5v s LEU 80 Cb 0.02 -4.47 0.20 0.00 0.03 0.00 0.00 46.19 41.96 1d5v s LEU 80 CO -0.09 -0.92 0.36 0.47 0.23 0.00 0.00 176.35 176.40 1d5v n ASP 81 N -2.78 -2.83 -0.03 2.29 9.92 -1.26 -4.86 116.55 117.00 1d5v n ASP 81 Ca 0.06 -0.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 1d5v n ASP 81 Cb 0.54 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 1d5v n ASP 81 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1d5v n PRO 82 N -2.95 3.12 -0.04 -0.24 -0.02 -1.26 -4.70 135.00 128.91 1d5v n PRO 82 Ca 0.05 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.55 1d5v n PRO 82 Cb 0.53 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.10 1d5v n PRO 82 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1d5v n ASP 83 N 0.00 0.43 -4.09 2.55 5.75 -1.26 -4.71 116.55 115.22 1d5v n ASP 83 Ca 0.00 -1.93 -0.25 0.00 -0.01 0.00 0.00 54.79 52.60 1d5v n ASP 83 Cb 0.00 -0.05 -0.11 0.00 -1.03 0.00 0.00 41.12 39.93 1d5v n ASP 83 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1d5v n SER 84 N -0.30 0.92 -0.01 -1.12 3.41 -1.26 -4.63 113.62 110.62 1d5v n SER 84 Ca 0.04 -2.35 -0.11 0.00 -0.26 0.00 0.00 58.87 56.19 1d5v n SER 84 Cb 0.08 -1.11 -0.06 0.00 -0.26 0.00 0.00 64.21 62.86 1d5v n SER 84 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1d5v h TYR 85 N 10.68 0.15 -1.42 7.33 -0.00 -1.98 -3.40 116.97 128.33 1d5v h TYR 85 Ca 0.10 -0.01 -0.27 0.00 -0.00 0.00 0.00 58.73 58.56 1d5v h TYR 85 Cb 0.86 -0.05 -0.23 0.00 -0.00 0.00 0.00 36.73 37.31 1d5v h TYR 85 CO 1.03 0.22 -0.62 -0.80 -0.00 0.00 0.00 178.16 177.99 1d5v s ASN 86 N -5.44 -0.51 0.13 0.10 -0.87 -1.26 -5.13 114.94 101.96 1d5v s ASN 86 Ca -0.14 -1.92 -0.30 0.00 -1.57 0.00 0.00 52.86 48.93 1d5v s ASN 86 Cb 0.06 1.22 -0.07 0.00 -0.02 0.00 0.00 41.25 42.44 1d5v s ASN 86 CO 0.68 -0.11 1.20 0.00 -2.57 0.00 0.00 177.10 176.30 1d5v s MET 87 N 0.86 4.47 0.03 -0.60 0.23 -1.26 -4.94 119.30 118.08 1d5v s MET 87 Ca 0.28 1.82 -0.15 0.00 -1.03 0.00 0.00 55.69 56.61 1d5v s MET 87 Cb -0.01 -3.29 -0.35 0.00 -1.53 0.00 0.00 34.83 29.65 1d5v s MET 87 CO -0.08 -0.16 0.98 0.74 -2.03 0.00 0.00 175.02 174.47 1d5v h PHE 88 N 5.98 0.93 -2.23 3.16 0.04 -1.93 -3.47 116.94 119.43 1d5v h PHE 88 Ca -0.43 -0.68 -0.60 0.00 2.80 0.00 0.00 57.97 59.05 1d5v h PHE 88 Cb 1.21 -0.04 -0.14 0.00 2.20 0.00 0.00 35.95 39.19 1d5v h PHE 88 CO 0.64 1.56 -0.75 -1.21 -0.60 0.00 0.00 178.31 177.95 1d5v s GLU 89 N -2.60 1.75 0.00 1.51 0.41 -1.26 -4.99 118.70 113.51 1d5v s GLU 89 Ca -0.09 -1.72 0.25 0.00 -0.41 0.00 0.00 54.97 52.99 1d5v s GLU 89 Cb 0.04 -1.82 1.33 0.00 -1.78 0.00 0.00 34.13 31.90 1d5v s GLU 89 CO 0.94 0.34 1.87 -1.71 -0.49 0.00 0.00 175.26 176.20 1d5v n ASN 90 N -0.63 0.41 0.00 -0.19 5.15 -1.26 -4.31 115.26 114.42 1d5v n ASN 90 Ca -0.05 -1.33 0.00 0.00 -0.60 0.00 0.00 54.58 52.60 1d5v n ASN 90 Cb 0.60 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 1d5v n ASN 90 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1d5v n GLY 91 N 0.95 -0.09 3.41 8.20 0.00 -1.26 -4.98 105.19 111.43 1d5v n GLY 91 Ca 0.18 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1d5v n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1d5v n SER 92 N -0.66 5.03 -0.48 1.61 2.88 -1.26 -4.69 113.62 116.04 1d5v n SER 92 Ca 0.00 -2.96 0.14 0.00 -1.33 0.00 0.00 58.87 54.72 1d5v n SER 92 Cb 0.00 -1.64 0.52 0.00 -0.75 0.00 0.00 64.21 62.34 1d5v n SER 92 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1d5v n PHE 93 N 6.55 0.01 1.86 0.66 1.16 -1.26 -4.49 117.46 121.95 1d5v n PHE 93 Ca 0.43 -0.01 0.15 0.00 -1.87 0.00 0.00 57.45 56.15 1d5v n PHE 93 Cb 0.43 0.00 0.83 0.00 -1.61 0.00 0.00 39.48 39.13 1d5v n PHE 93 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17