#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 3.37 0.17 3.17 1.43 -1.26 -5.09 118.68 120.46 1d5v s LEU 2 Ca 0.00 1.27 0.05 0.00 -1.03 0.00 0.00 54.13 54.43 1d5v s LEU 2 Cb 0.00 -4.29 -0.05 0.00 0.03 0.00 0.00 46.19 41.89 1d5v s LEU 2 CO 0.00 -0.77 -0.11 0.68 0.23 0.00 0.00 176.35 176.38 1d5v s VAL 3 N -3.03 1.35 -0.18 -1.59 -7.23 -1.26 -5.07 120.40 103.39 1d5v s VAL 3 Ca 0.53 -2.11 -0.31 0.00 -1.81 0.00 0.00 61.98 58.27 1d5v s VAL 3 Cb -0.11 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 1d5v s VAL 3 CO 0.50 -0.70 2.10 0.29 -0.31 0.00 0.00 175.10 176.99 1d5v n LYS 4 N -0.26 1.95 -0.90 4.82 4.01 -1.26 -4.90 118.16 121.62 1d5v n LYS 4 Ca -0.09 0.62 -0.35 0.00 -0.51 0.00 0.00 58.31 57.98 1d5v n LYS 4 Cb 0.61 -2.89 0.08 0.00 -0.51 0.00 0.00 35.03 32.31 1d5v n LYS 4 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1d5v n PRO 5 N 7.95 -0.17 -0.01 1.97 -0.02 -1.26 -4.84 135.00 138.63 1d5v n PRO 5 Ca 0.29 -0.03 0.09 0.00 -2.02 0.00 0.00 63.50 61.83 1d5v n PRO 5 Cb 0.36 -1.38 0.54 0.00 -0.02 0.00 0.00 33.50 32.99 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 0.60 1.06 -2.88 0.52 -0.04 -1.26 -4.86 135.00 128.14 1d5v n PRO 6 Ca 0.02 -0.09 -0.38 0.00 -0.04 0.00 0.00 63.50 63.01 1d5v n PRO 6 Cb 0.56 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.98 3.76 0.70 0.54 2.02 -1.26 -5.04 117.35 116.09 1d5v s TYR 7 Ca 0.28 1.69 -0.11 0.00 -0.37 0.00 0.00 57.07 58.56 1d5v s TYR 7 Cb 0.13 -2.84 0.01 0.00 -0.40 0.00 0.00 41.96 38.87 1d5v s TYR 7 CO 0.22 0.33 1.06 0.45 -1.57 0.00 0.00 175.55 176.04 1d5v s SER 8 N -1.48 5.35 0.25 2.29 0.15 -1.26 -4.82 113.70 114.18 1d5v s SER 8 Ca 0.45 1.60 -0.06 0.00 0.70 0.00 0.00 55.95 58.64 1d5v s SER 8 Cb -0.20 -2.48 0.26 0.00 -1.71 0.00 0.00 66.02 61.90 1d5v s SER 8 CO 0.25 -1.46 1.93 1.88 1.20 0.00 0.00 173.24 177.04 1d5v h TYR 9 N -0.73 1.26 -0.68 3.44 0.05 -1.98 -1.05 116.97 117.29 1d5v h TYR 9 Ca -0.44 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.29 1d5v h TYR 9 Cb 1.21 -0.43 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 1d5v h TYR 9 CO 0.61 0.80 0.11 0.82 -1.05 0.00 0.00 178.16 179.45 1d5v h ILE 10 N 1.36 1.26 -0.31 -2.88 1.08 -1.99 -1.94 117.51 114.10 1d5v h ILE 10 Ca 0.37 -1.05 -0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1d5v h ILE 10 Cb -0.16 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1d5v h ILE 10 CO -0.08 0.39 0.18 0.00 -0.69 0.00 0.00 178.15 177.95 1d5v h ALA 11 N 1.05 0.39 -0.69 1.87 0.00 -1.65 1.05 119.26 121.29 1d5v h ALA 11 Ca 0.21 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1d5v h ALA 11 Cb 0.45 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1d5v h ALA 11 CO 0.01 -0.10 0.46 -0.07 0.00 0.00 0.00 179.25 179.55 1d5v h LEU 12 N 0.39 0.80 0.02 0.00 3.38 -1.02 0.95 115.31 119.82 1d5v h LEU 12 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1d5v h LEU 12 Cb 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1d5v h LEU 12 CO -0.02 0.58 -0.01 0.40 0.09 0.00 0.00 178.44 179.48 1d5v h ILE 13 N 0.94 1.32 -0.92 1.22 2.04 -0.88 -0.24 117.51 120.99 1d5v h ILE 13 Ca 0.25 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1d5v h ILE 13 Cb -0.11 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1d5v h ILE 13 CO -0.05 0.27 0.52 0.74 0.00 0.00 0.00 178.15 179.63 1d5v h THR 14 N -0.49 1.26 -0.32 -0.27 2.02 0.14 -2.51 112.91 112.74 1d5v h THR 14 Ca -0.00 -0.62 -0.15 0.00 0.77 0.00 0.00 66.41 66.40 1d5v h THR 14 Cb 0.47 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1d5v h THR 14 CO 0.00 0.29 -0.41 0.24 0.37 0.00 0.00 175.52 176.01 1d5v h MET 15 N 1.28 0.80 -0.78 6.66 2.86 0.95 -3.02 114.93 123.68 1d5v h MET 15 Ca 0.33 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1d5v h MET 15 Cb 0.00 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1d5v h MET 15 CO -0.05 1.06 0.52 0.00 1.06 0.00 0.00 176.91 179.49 1d5v h ALA 16 N 0.88 0.99 -0.00 6.32 0.00 -0.62 0.80 119.26 127.63 1d5v h ALA 16 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1d5v h ALA 16 Cb 0.98 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1d5v h ALA 16 CO 0.09 0.41 0.00 0.82 0.00 0.00 0.00 179.25 180.57 1d5v h ILE 17 N 1.06 1.05 -0.39 0.00 2.04 -1.41 0.51 117.51 120.38 1d5v h ILE 17 Ca 0.29 -0.16 -0.16 0.00 1.00 0.00 0.00 64.86 65.83 1d5v h ILE 17 Cb -0.12 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1d5v h ILE 17 CO -0.06 0.04 -0.38 1.56 0.00 0.00 0.00 178.15 179.31 1d5v h GLN 18 N -0.06 0.95 0.00 2.37 4.20 -1.36 -2.78 115.11 118.42 1d5v h GLN 18 Ca 0.00 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1d5v h GLN 18 Cb 0.07 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1d5v h GLN 18 CO -0.00 1.16 0.00 0.09 -0.67 0.00 0.00 178.83 179.41 1d5v n ASN 19 N -4.06 0.00 -4.74 1.46 3.02 0.27 -4.77 115.26 106.44 1d5v n ASN 19 Ca -0.02 0.49 -0.40 0.00 -0.03 0.00 0.00 54.58 54.61 1d5v n ASN 19 Cb 0.54 -0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 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 -2.99 3.30 0.08 5.41 0.00 0.18 -4.96 121.76 122.77 1d5v s ALA 20 Ca 0.12 0.61 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 1d5v s ALA 20 Cb 0.16 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 1d5v s ALA 20 CO 0.45 0.09 1.25 -2.30 0.00 0.00 0.00 175.76 175.25 1d5v n PRO 21 N 2.04 -0.21 -3.84 0.00 -0.02 -1.26 -4.22 135.00 127.49 1d5v n PRO 21 Ca -0.00 1.23 -0.37 0.00 -2.02 0.00 0.00 63.50 62.35 1d5v n PRO 21 Cb 0.48 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.07 1d5v n PRO 21 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1d5v s GLU 22 N -4.20 3.61 0.49 -0.52 2.02 -1.26 -4.97 118.70 113.87 1d5v s GLU 22 Ca -0.06 -0.13 0.18 0.00 0.02 0.00 0.00 54.97 54.98 1d5v s GLU 22 Cb 0.05 -3.24 1.23 0.00 0.10 0.00 0.00 34.13 32.27 1d5v s GLU 22 CO 0.30 0.67 2.08 0.87 0.02 0.00 0.00 175.26 179.19 1d5v h LYS 23 N 5.34 0.00 -6.31 1.61 1.57 -1.78 -3.36 116.57 113.64 1d5v h LYS 23 Ca -0.52 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.71 1d5v h LYS 23 Cb 1.21 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.44 1d5v h LYS 23 CO 0.62 0.11 1.14 0.15 -0.57 0.00 0.00 179.45 180.89 1d5v s LYS 24 N -4.69 3.24 0.12 3.15 1.02 -1.26 -4.28 119.74 117.05 1d5v s LYS 24 Ca -0.04 -0.37 0.11 0.00 0.02 0.00 0.00 55.97 55.69 1d5v s LYS 24 Cb 0.16 -4.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 1d5v s LYS 24 CO 0.66 -2.18 -0.26 -1.50 -0.92 0.00 0.00 175.35 171.15 1d5v s ILE 25 N 5.72 2.31 0.65 2.17 2.07 -1.21 -4.83 121.20 128.08 1d5v s ILE 25 Ca 0.38 -1.72 -0.11 0.00 -1.41 0.00 0.00 60.65 57.79 1d5v s ILE 25 Cb -0.07 -2.02 -0.02 0.00 0.13 0.00 0.00 42.46 40.48 1d5v s ILE 25 CO 0.11 0.11 1.05 0.42 -1.91 0.00 0.00 174.94 174.72 1d5v s THR 26 N -1.05 4.28 0.13 4.00 -4.23 -1.26 -1.40 115.64 116.11 1d5v s THR 26 Ca 0.14 0.74 -0.18 0.00 -1.18 0.00 0.00 61.69 61.21 1d5v s THR 26 Cb -0.10 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 1d5v s THR 26 CO 0.06 -0.97 1.79 0.25 -0.54 0.00 0.00 174.62 175.22 1d5v h LEU 27 N -0.44 0.32 -1.03 4.79 5.85 -1.91 -1.75 115.31 121.13 1d5v h LEU 27 Ca -0.44 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.28 1d5v h LEU 27 Cb 1.21 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 1d5v h LEU 27 CO 0.63 0.23 0.66 0.78 -0.34 0.00 0.00 178.44 180.39 1d5v h ASN 28 N 0.38 1.14 -1.00 1.25 2.35 -1.96 -2.30 115.58 115.43 1d5v h ASN 28 Ca 0.10 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1d5v h ASN 28 Cb -0.04 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 37.99 1d5v h ASN 28 CO -0.02 0.82 0.66 1.23 -1.65 0.00 0.00 177.43 178.47 1d5v h GLY 29 N 1.34 1.43 1.01 2.83 0.00 -1.71 -2.36 103.07 105.61 1d5v h GLY 29 Ca 0.36 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1d5v h GLY 29 CO -0.08 0.49 0.60 -2.22 0.00 0.00 0.00 176.54 175.33 1d5v h ILE 30 N 1.33 1.23 -0.88 2.60 2.04 -0.79 -2.17 117.51 120.87 1d5v h ILE 30 Ca 0.38 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1d5v h ILE 30 Cb -0.10 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 35.83 1d5v h ILE 30 CO -0.10 0.23 0.48 1.88 0.00 0.00 0.00 178.15 180.64 1d5v h TYR 31 N 1.23 1.21 -0.94 1.37 0.05 -1.39 -2.34 116.97 116.16 1d5v h TYR 31 Ca 0.33 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.09 1d5v h TYR 31 Cb -0.14 -0.39 -0.05 0.00 1.01 0.00 0.00 36.73 37.17 1d5v h TYR 31 CO -0.01 0.84 0.62 0.37 -1.05 0.00 0.00 178.16 178.93 1d5v h GLN 32 N 1.23 1.24 -0.00 4.88 4.15 -1.21 -2.29 115.11 123.10 1d5v h GLN 32 Ca 0.31 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1d5v h GLN 32 Cb 0.03 -0.28 -0.00 0.00 0.21 0.00 0.00 27.48 27.44 1d5v h GLN 32 CO -0.05 0.82 0.00 0.35 -1.93 0.00 0.00 178.83 178.02 1d5v h PHE 33 N 1.27 0.00 -0.00 3.99 3.57 -1.05 -1.77 116.94 122.94 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 -0.01 0.00 0.00 0.82 -2.23 0.00 0.00 178.31 176.90 1d5v h ILE 34 N 0.00 1.03 -0.88 1.41 2.04 -1.22 -2.78 117.51 117.11 1d5v h ILE 34 Ca 0.00 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1d5v h ILE 34 Cb 0.00 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1d5v h ILE 34 CO -0.00 0.03 0.45 0.24 0.00 0.00 0.00 178.15 178.86 1d5v h MET 35 N -0.04 1.25 0.14 2.37 2.86 -1.37 -1.22 114.93 118.92 1d5v h MET 35 Ca 0.00 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1d5v h MET 35 Cb 0.04 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.47 1d5v h MET 35 CO -0.00 0.94 -0.07 -0.44 1.06 0.00 0.00 176.91 178.40 1d5v h ASP 36 N 1.24 -0.16 1.12 1.22 3.32 -1.21 -2.67 116.42 119.29 1d5v h ASP 36 Ca 0.31 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 1d5v h ASP 36 Cb 0.08 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1d5v h ASP 36 CO -0.04 0.06 -0.36 0.03 -1.72 0.00 0.00 179.24 177.20 1d5v h ARG 37 N -0.37 0.00 -2.57 3.56 3.08 -1.48 -3.37 114.38 113.23 1d5v h ARG 37 Ca -0.02 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.43 1d5v h ARG 37 Cb 0.30 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.95 1d5v h ARG 37 CO 0.03 0.36 -0.79 1.19 -1.07 0.00 0.00 179.97 179.69 1d5v n PHE 38 N -3.37 1.28 0.00 3.04 3.72 -0.47 -4.93 117.46 116.73 1d5v n PHE 38 Ca 0.01 -3.82 0.00 0.00 -0.05 0.00 0.00 57.45 53.59 1d5v n PHE 38 Cb 0.56 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1d5v n PHE 38 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1d5v n PRO 39 N 2.09 0.00 -0.36 -1.08 -0.02 -1.01 -1.60 135.00 133.02 1d5v n PRO 39 Ca 0.25 0.18 -0.02 0.00 -2.02 0.00 0.00 63.50 61.88 1d5v n PRO 39 Cb 0.43 -1.69 0.10 0.00 -0.02 0.00 0.00 33.50 32.33 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 1.21 0.00 6.00 3.57 -1.91 -1.44 116.94 124.37 1d5v h PHE 40 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1d5v h PHE 40 Cb 0.37 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1d5v h PHE 40 CO 0.00 0.76 -0.20 1.88 -2.23 0.00 0.00 178.31 178.52 1d5v h TYR 41 N 1.31 0.00 -0.79 0.41 -1.99 -1.59 -2.84 116.97 111.47 1d5v h TYR 41 Ca 0.35 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.09 1d5v h TYR 41 Cb -0.15 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.54 1d5v h TYR 41 CO -0.00 0.20 0.53 0.00 -0.00 0.00 0.00 178.16 178.89 1d5v h ARG 42 N 0.00 1.05 -0.21 4.88 3.08 -1.44 0.15 114.38 121.89 1d5v h ARG 42 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1d5v h ARG 42 Cb 0.65 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1d5v h ARG 42 CO 0.03 0.69 0.00 0.39 -1.07 0.00 0.00 179.97 180.01 1d5v n GLU 43 N -4.41 1.51 -3.71 0.04 -0.58 -1.07 -4.71 120.64 107.70 1d5v n GLU 43 Ca 0.09 -0.78 -0.21 0.00 -0.42 0.00 0.00 57.16 55.84 1d5v n GLU 43 Cb 0.03 -1.20 -0.18 0.00 -0.57 0.00 0.00 31.44 29.52 1d5v n GLU 43 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1d5v s ASN 44 N -1.09 1.24 -0.04 1.62 3.04 0.52 -4.99 114.94 115.25 1d5v s ASN 44 Ca 0.17 0.02 0.06 0.00 0.04 0.00 0.00 52.86 53.15 1d5v s ASN 44 Cb 0.09 -0.24 0.09 0.00 -1.54 0.00 0.00 41.25 39.65 1d5v s ASN 44 CO 0.12 -0.23 1.04 0.29 -3.04 0.00 0.00 177.10 175.29 1d5v n LYS 45 N 5.20 2.44 0.00 0.43 5.02 -1.26 -4.75 118.16 125.23 1d5v n LYS 45 Ca -0.05 -1.82 0.00 0.00 -2.02 0.00 0.00 58.31 54.41 1d5v n LYS 45 Cb 0.50 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1d5v n LYS 45 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1d5v n GLN 46 N -0.78 -1.65 0.03 1.97 6.02 -1.26 -4.50 117.38 117.21 1d5v n GLN 46 Ca 0.05 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.05 1d5v n GLN 46 Cb 0.37 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.68 1d5v n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1d5v n GLY 47 N 0.00 -0.24 0.37 1.08 0.00 -1.26 -1.27 105.19 103.87 1d5v n GLY 47 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 1.13 0.00 1.61 5.08 -1.94 0.57 115.95 122.40 1d5v h TRP 48 Ca 0.00 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.00 1d5v h TRP 48 Cb 0.70 -0.38 0.00 0.00 -3.00 0.00 0.00 29.16 26.48 1d5v h TRP 48 CO 0.00 0.71 -0.00 0.37 -1.28 0.00 0.00 178.44 178.24 1d5v h GLN 49 N 1.21 -0.01 0.00 0.12 4.15 -1.41 -2.70 115.11 116.48 1d5v h GLN 49 Ca 0.33 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.54 1d5v h GLN 49 Cb -0.14 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1d5v h GLN 49 CO -0.07 -0.00 -0.91 -0.91 -1.93 0.00 0.00 178.83 175.01 1d5v h ASN 50 N -0.01 0.36 -0.85 -0.69 2.35 -1.63 -3.29 115.58 111.83 1d5v h ASN 50 Ca -0.00 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1d5v h ASN 50 Cb 0.01 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 1d5v h ASN 50 CO 0.00 1.10 0.56 0.28 -1.65 0.00 0.00 177.43 177.72 1d5v h SER 51 N 0.15 0.97 0.15 5.81 0.02 0.25 0.05 113.55 120.95 1d5v h SER 51 Ca -0.06 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1d5v h SER 51 Cb 1.54 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1d5v h SER 51 CO 0.15 0.70 -0.07 0.40 -1.14 0.00 0.00 176.83 176.86 1d5v h ILE 52 N 1.14 0.85 0.00 3.27 1.08 -1.55 -2.15 117.51 120.16 1d5v h ILE 52 Ca 0.31 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.59 1d5v h ILE 52 Cb -0.12 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 1d5v h ILE 52 CO -0.07 0.00 -0.93 0.08 -0.69 0.00 0.00 178.15 176.54 1d5v h ARG 53 N -0.20 0.00 -0.81 2.37 0.11 -1.69 -3.18 114.38 110.98 1d5v h ARG 53 Ca -0.02 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.07 1d5v h ARG 53 Cb 0.16 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.20 1d5v h ARG 53 CO 0.03 0.93 0.54 1.25 0.10 0.00 0.00 179.97 182.82 1d5v h HIS 54 N 0.00 1.01 -0.66 4.08 2.76 -0.88 -1.74 115.15 119.72 1d5v h HIS 54 Ca -0.01 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 1d5v h HIS 54 Cb 1.71 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 30.30 1d5v h HIS 54 CO 0.00 0.64 0.08 -0.91 -1.30 0.00 0.00 177.93 176.43 1d5v h ASN 55 N 1.09 1.08 -0.46 3.26 -0.26 -1.43 -2.53 115.58 116.32 1d5v h ASN 55 Ca 0.30 -0.27 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1d5v h ASN 55 Cb -0.12 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 36.83 1d5v h ASN 55 CO -0.07 1.08 0.30 -0.07 -1.06 0.00 0.00 177.43 177.61 1d5v h LEU 56 N 1.03 0.53 -0.35 1.61 3.38 -1.35 0.47 115.31 120.63 1d5v h LEU 56 Ca 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1d5v h LEU 56 Cb 0.48 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1d5v h LEU 56 CO 0.02 0.39 0.14 0.28 0.09 0.00 0.00 178.44 179.35 1d5v h SER 57 N 0.62 0.49 -0.38 -0.43 0.02 -1.19 -3.00 113.55 109.68 1d5v h SER 57 Ca 0.17 -0.17 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1d5v h SER 57 Cb -0.06 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1d5v h SER 57 CO -0.04 0.53 -0.40 -0.07 -1.14 0.00 0.00 176.83 175.71 1d5v h LEU 58 N 0.42 1.00 -9.09 5.07 3.38 -1.23 -3.41 115.31 111.45 1d5v h LEU 58 Ca 0.12 -0.47 -0.56 0.00 0.09 0.00 0.00 57.88 57.05 1d5v h LEU 58 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1d5v h LEU 58 CO -0.01 1.27 1.01 0.20 0.09 0.00 0.00 178.44 181.00 1d5v s ASN 59 N -6.85 6.68 0.00 -0.43 0.02 0.16 -4.85 114.94 109.68 1d5v s ASN 59 Ca -0.11 1.65 0.27 0.00 -1.02 0.00 0.00 52.86 53.65 1d5v s ASN 59 Cb 0.11 -2.54 0.89 0.00 0.02 0.00 0.00 41.25 39.73 1d5v s ASN 59 CO 0.88 -1.00 1.65 -0.62 0.02 0.00 0.00 177.10 178.03 1d5v n GLU 60 N 7.15 1.22 -0.36 -0.60 -0.58 -1.26 -4.03 120.64 122.17 1d5v n GLU 60 Ca 0.16 -0.71 -0.03 0.00 -0.42 0.00 0.00 57.16 56.16 1d5v n GLU 60 Cb 0.45 -1.49 0.10 0.00 -0.57 0.00 0.00 31.44 29.93 1d5v n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1d5v s PHE 62 N -5.99 3.37 -0.19 0.00 0.08 -1.26 -4.72 117.98 109.27 1d5v s PHE 62 Ca -0.13 1.54 -0.01 0.00 0.12 0.00 0.00 56.93 58.45 1d5v s PHE 62 Cb 0.17 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.80 1d5v s PHE 62 CO 0.82 -0.24 -0.12 0.08 -0.10 0.00 0.00 175.22 175.67 1d5v s VAL 63 N -2.38 2.81 -0.11 -0.44 1.01 -1.21 -5.04 120.40 115.04 1d5v s VAL 63 Ca 0.61 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 1d5v s VAL 63 Cb -0.09 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1d5v s VAL 63 CO 0.21 0.48 0.75 -1.59 0.00 0.00 0.00 175.10 174.96 1d5v s LYS 64 N 1.23 4.37 -0.40 2.72 -2.85 -1.26 -2.75 119.74 120.81 1d5v s LYS 64 Ca 0.03 0.93 -0.16 0.00 -1.00 0.00 0.00 55.97 55.76 1d5v s LYS 64 Cb -0.14 -3.50 0.01 0.00 -2.06 0.00 0.00 37.83 32.14 1d5v s LYS 64 CO -0.05 -0.11 0.38 0.08 0.10 0.00 0.00 175.35 175.75 1d5v s VAL 65 N 1.38 5.15 0.15 1.79 1.01 0.59 -4.88 120.40 125.60 1d5v s VAL 65 Ca 0.38 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1d5v s VAL 65 Cb -0.17 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 1d5v s VAL 65 CO 0.16 -0.32 1.00 -2.16 0.00 0.00 0.00 175.10 173.78 1d5v s PRO 66 N 1.99 4.70 0.66 2.72 0.04 -1.26 -0.24 135.00 143.62 1d5v s PRO 66 Ca 0.10 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 1d5v s PRO 66 Cb -0.17 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 1d5v s PRO 66 CO 0.12 0.24 1.05 -0.98 0.04 0.00 0.00 177.00 177.47 1d5v s ARG 67 N -0.34 3.22 0.80 4.56 3.03 -1.26 -4.95 118.95 124.00 1d5v s ARG 67 Ca 0.46 0.87 -0.13 0.00 2.03 0.00 0.00 55.73 58.97 1d5v s ARG 67 Cb -0.25 -2.03 0.08 0.00 -1.03 0.00 0.00 34.95 31.71 1d5v s ARG 67 CO 0.32 -0.87 1.17 -0.51 -1.13 0.00 0.00 175.30 174.28 1d5v s ASP 68 N -3.95 3.81 0.43 -2.89 1.01 -1.26 -4.87 116.67 108.95 1d5v s ASP 68 Ca 0.57 2.24 0.09 0.00 0.71 0.00 0.00 52.55 56.15 1d5v s ASP 68 Cb -0.13 -2.57 0.94 0.00 1.01 0.00 0.00 42.92 42.17 1d5v s ASP 68 CO 0.54 -2.51 2.08 0.44 0.21 0.00 0.00 175.17 175.93 1d5v h ASP 69 N -0.92 0.38 -0.25 0.27 3.32 -2.04 -0.69 116.42 116.49 1d5v h ASP 69 Ca -0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1d5v h ASP 69 Cb 1.28 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1d5v h ASP 69 CO 0.47 0.27 0.16 0.11 -1.72 0.00 0.00 179.24 178.54 1d5v h LYS 70 N 0.44 0.34 -6.32 3.56 1.57 -2.04 -3.40 116.57 110.72 1d5v h LYS 70 Ca 0.12 -0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 58.33 1d5v h LYS 70 Cb -0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1d5v h LYS 70 CO -0.03 0.23 0.62 0.15 -0.57 0.00 0.00 179.45 179.85 1d5v s LYS 71 N -5.33 4.40 -0.01 3.15 -0.14 -0.27 -4.90 119.74 116.65 1d5v s LYS 71 Ca -0.07 1.56 0.04 0.00 -1.36 0.00 0.00 55.97 56.15 1d5v s LYS 71 Cb 0.17 -3.53 0.14 0.00 -1.68 0.00 0.00 37.83 32.94 1d5v s LYS 71 CO 0.71 -0.36 1.02 -0.35 -0.76 0.00 0.00 175.35 175.61 1d5v n PRO 72 N 4.93 1.47 -0.91 -1.68 -0.04 -1.26 -4.79 135.00 132.72 1d5v n PRO 72 Ca 0.10 -0.57 -0.37 0.00 -0.04 0.00 0.00 63.50 62.62 1d5v n PRO 72 Cb 0.47 -1.26 0.07 0.00 -0.04 0.00 0.00 33.50 32.75 1d5v n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d5v n GLY 73 N 0.59 -3.00 0.00 0.55 0.00 -1.26 -4.99 105.19 97.08 1d5v n GLY 73 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1d5v n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d5v n LYS 74 N 1.20 0.00 -1.97 1.61 5.02 -1.26 -5.03 118.16 117.73 1d5v n LYS 74 Ca -0.01 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 1d5v n LYS 74 Cb 0.70 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.89 1d5v n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d5v n GLY 75 N 4.60 -0.99 3.87 0.72 0.00 -1.26 -5.03 105.19 107.10 1d5v n GLY 75 Ca 0.00 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 1d5v n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d5v s SER 76 N -5.48 6.09 0.33 1.61 1.04 -1.26 -4.81 113.70 111.22 1d5v s SER 76 Ca 0.70 1.38 -0.08 0.00 0.48 0.00 0.00 55.95 58.43 1d5v s SER 76 Cb -0.02 -2.39 -0.06 0.00 0.10 0.00 0.00 66.02 63.65 1d5v s SER 76 CO 0.49 -0.95 0.64 -0.31 0.98 0.00 0.00 173.24 174.08 1d5v s TYR 77 N -3.20 3.46 -0.09 5.02 2.02 0.67 -4.28 117.35 120.95 1d5v s TYR 77 Ca 0.56 0.85 0.00 0.00 -0.37 0.00 0.00 57.07 58.11 1d5v s TYR 77 Cb -0.11 -2.27 -0.03 0.00 -0.40 0.00 0.00 41.96 39.15 1d5v s TYR 77 CO 0.54 0.08 -0.08 -1.58 -1.57 0.00 0.00 175.55 172.93 1d5v s TRP 78 N -2.15 2.90 0.08 2.71 0.52 -0.49 0.22 118.94 122.73 1d5v s TRP 78 Ca 0.48 -0.14 -0.07 0.00 0.02 0.00 0.00 56.10 56.39 1d5v s TRP 78 Cb -0.11 -1.76 -0.01 0.00 -1.15 0.00 0.00 33.47 30.45 1d5v s TRP 78 CO 0.29 0.19 0.14 -0.08 0.02 0.00 0.00 176.95 177.50 1d5v s THR 79 N -0.47 0.16 0.70 2.01 -1.32 -1.11 -3.28 115.64 112.33 1d5v s THR 79 Ca 0.07 -1.32 -0.11 0.00 -1.21 0.00 0.00 61.69 59.11 1d5v s THR 79 Cb -0.12 -1.36 0.01 0.00 -1.51 0.00 0.00 72.50 69.52 1d5v s THR 79 CO 0.02 -0.73 1.09 -0.76 -2.21 0.00 0.00 174.62 172.03 1d5v s LEU 80 N -2.84 2.93 0.88 9.08 1.43 -1.26 -3.34 118.68 125.56 1d5v s LEU 80 Ca 0.05 1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 1d5v s LEU 80 Cb 0.05 -4.03 0.12 0.00 0.03 0.00 0.00 46.19 42.36 1d5v s LEU 80 CO -0.10 -1.32 1.11 -0.90 0.23 0.00 0.00 176.35 175.37 1d5v n ASP 81 N -3.00 0.39 -0.47 2.29 5.68 -1.26 -4.89 116.55 115.28 1d5v n ASP 81 Ca 0.07 0.47 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 1d5v n ASP 81 Cb 0.56 -1.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.08 1d5v n ASP 81 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1d5v n PRO 82 N -3.72 3.10 -0.86 0.11 -0.02 -1.26 -4.51 135.00 127.84 1d5v n PRO 82 Ca 0.12 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 1d5v n PRO 82 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.92 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 5.52 0.19 2.55 8.00 -1.26 -4.46 116.55 127.09 1d5v n ASP 83 Ca 0.00 -2.58 0.18 0.00 0.71 0.00 0.00 54.79 53.10 1d5v n ASP 83 Cb 0.00 -1.26 0.82 0.00 -0.02 0.00 0.00 41.12 40.66 1d5v n ASP 83 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1d5v h SER 84 N 2.12 0.00 -0.96 -2.24 0.87 -1.92 0.47 113.55 111.89 1d5v h SER 84 Ca 0.15 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1d5v h SER 84 Cb 1.19 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.10 1d5v h SER 84 CO 0.26 0.00 0.63 0.22 -0.53 0.00 0.00 176.83 177.41 1d5v h TYR 85 N 0.00 1.20 0.00 2.24 3.20 -1.94 0.13 116.97 121.80 1d5v h TYR 85 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1d5v h TYR 85 Cb 0.66 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1d5v h TYR 85 CO 0.00 0.74 0.00 -0.97 -1.64 0.00 0.00 178.16 176.29 1d5v h ASN 86 N 1.28 0.00 -3.54 -2.11 -1.24 -1.27 -3.39 115.58 105.31 1d5v h ASN 86 Ca 0.36 0.00 -0.65 0.00 0.71 0.00 0.00 56.30 56.72 1d5v h ASN 86 Cb -0.11 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 38.79 1d5v h ASN 86 CO -0.09 0.00 0.22 -0.04 -1.29 0.00 0.00 177.43 176.24 1d5v s MET 87 N -3.77 3.31 0.13 6.67 -1.94 0.46 -4.91 119.30 119.25 1d5v s MET 87 Ca -0.00 -0.33 -0.12 0.00 -1.71 0.00 0.00 55.69 53.53 1d5v s MET 87 Cb 0.10 -3.97 -0.04 0.00 2.01 0.00 0.00 34.83 32.93 1d5v s MET 87 CO 0.51 -1.10 1.49 0.74 -0.01 0.00 0.00 175.02 176.65 1d5v h PHE 88 N 8.96 1.04 -3.84 -0.03 0.04 -1.78 -3.45 116.94 117.87 1d5v h PHE 88 Ca -0.25 -0.28 -0.13 0.00 2.80 0.00 0.00 57.97 60.10 1d5v h PHE 88 Cb 1.09 -0.23 -0.18 0.00 2.20 0.00 0.00 35.95 38.83 1d5v h PHE 88 CO 0.77 1.08 -0.55 -1.21 -0.60 0.00 0.00 178.31 177.80 1d5v s GLU 89 N -4.52 0.57 0.43 1.51 2.02 -1.26 -5.09 118.70 112.35 1d5v s GLU 89 Ca -0.12 -0.76 -0.26 0.00 0.02 0.00 0.00 54.97 53.85 1d5v s GLU 89 Cb 0.11 0.22 -0.09 0.00 0.10 0.00 0.00 34.13 34.46 1d5v s GLU 89 CO 0.86 -0.14 1.46 -0.80 0.02 0.00 0.00 175.26 176.67 1d5v s ASN 90 N -2.11 6.02 0.00 -0.19 0.02 -1.26 -1.43 114.94 115.99 1d5v s ASN 90 Ca -0.05 3.00 0.00 0.00 -1.02 0.00 0.00 52.86 54.79 1d5v s ASN 90 Cb -0.01 -2.66 0.00 0.00 0.02 0.00 0.00 41.25 38.59 1d5v s ASN 90 CO -0.04 -1.09 0.00 0.61 0.02 0.00 0.00 177.10 176.59 1d5v n GLY 91 N 0.52 1.27 0.35 0.66 0.00 -1.26 -4.90 105.19 101.83 1d5v n GLY 91 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.94 0.00 1.61 0.87 -1.66 -1.47 113.55 113.84 1d5v h SER 92 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1d5v h SER 92 Cb 0.00 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 1d5v h SER 92 CO 0.00 0.73 0.47 0.33 -0.53 0.00 0.00 176.83 177.82 1d5v n PHE 93 N -4.38 0.19 0.00 2.24 -0.00 -1.26 -5.06 117.46 109.19 1d5v n PHE 93 Ca 0.08 0.10 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1d5v n PHE 93 Cb 0.07 -0.32 0.00 0.00 -0.00 0.00 0.00 39.48 39.23 1d5v n PHE 93 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65