#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8b n LEU 12 N 0.00 -0.57 -2.66 4.31 4.77 -1.26 -4.80 117.00 116.79 1d8b n LEU 12 Ca 0.00 -1.29 -0.26 0.00 -0.03 0.00 0.00 56.01 54.43 1d8b n LEU 12 Cb 0.00 -1.61 -0.09 0.00 -2.33 0.00 0.00 43.42 39.39 1d8b n LEU 12 CO 0.00 0.66 2.31 -0.46 -1.33 0.00 0.00 177.39 178.57 1d8b n ASN 13 N -2.50 6.89 0.05 -1.43 6.94 -1.26 -4.43 115.26 119.52 1d8b n ASN 13 Ca -0.21 -2.66 0.13 0.00 -0.02 0.00 0.00 54.58 51.81 1d8b n ASN 13 Cb 0.63 -1.44 0.50 0.00 -2.36 0.00 0.00 39.78 37.10 1d8b n ASN 13 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1d8b n ASN 14 N 2.60 0.35 0.07 0.53 6.94 -1.26 -3.19 115.26 121.29 1d8b n ASN 14 Ca 0.58 0.54 0.17 0.00 -0.02 0.00 0.00 54.58 55.86 1d8b n ASN 14 Cb 0.57 -0.63 0.69 0.00 -2.36 0.00 0.00 39.78 38.05 1d8b n ASN 14 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1d8b h LEU 15 N 0.00 0.00 -0.91 -4.53 6.46 -1.94 0.73 115.31 115.12 1d8b h LEU 15 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1d8b h LEU 15 Cb 0.54 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1d8b h LEU 15 CO 0.00 0.00 0.27 -0.09 -0.62 0.00 0.00 178.44 178.00 1d8b h ARG 16 N 0.00 1.06 -0.41 1.25 2.43 -1.94 0.23 114.38 117.00 1d8b h ARG 16 Ca 0.18 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1d8b h ARG 16 Cb 0.75 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1d8b h ARG 16 CO -0.00 0.87 0.02 1.98 -1.51 0.00 0.00 179.97 181.33 1d8b h MET 17 N 1.04 0.64 -0.05 0.20 4.05 -1.09 0.42 114.93 120.14 1d8b h MET 17 Ca 0.24 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1d8b h MET 17 Cb 0.22 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 1d8b h MET 17 CO -0.02 0.64 -0.01 1.15 0.23 0.00 0.00 176.91 178.91 1d8b h THR 18 N 0.61 1.29 -0.51 -0.77 2.02 -1.03 -0.56 112.91 113.95 1d8b h THR 18 Ca 0.13 -0.89 -0.12 0.00 0.77 0.00 0.00 66.41 66.30 1d8b h THR 18 Cb 0.35 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1d8b h THR 18 CO 0.01 0.24 -0.16 0.22 0.37 0.00 0.00 175.52 176.20 1d8b h TYR 19 N -0.25 1.14 -0.39 3.16 3.20 -0.71 -2.13 116.97 121.00 1d8b h TYR 19 Ca 0.01 -0.26 -0.10 0.00 3.14 0.00 0.00 58.73 61.52 1d8b h TYR 19 Cb 0.39 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1d8b h TYR 19 CO 0.05 1.08 -0.17 0.93 -1.64 0.00 0.00 178.16 178.41 1d8b h GLU 20 N 0.89 0.73 -0.06 1.82 4.39 -0.17 0.11 114.58 122.28 1d8b h GLU 20 Ca 0.13 -0.26 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 1d8b h GLU 20 Cb 0.74 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1d8b h GLU 20 CO 0.06 0.85 -0.38 -0.09 -1.16 0.00 0.00 179.01 178.29 1d8b h ARG 21 N 0.65 0.13 -0.01 2.33 9.65 -0.96 -0.16 114.38 126.01 1d8b h ARG 21 Ca 0.10 -0.06 -0.24 0.00 -1.10 0.00 0.00 59.98 58.69 1d8b h ARG 21 Cb 0.65 -0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.24 1d8b h ARG 21 CO 0.05 0.50 -0.95 -0.07 2.80 0.00 0.00 179.97 182.29 1d8b h LEU 22 N 0.11 0.69 -0.70 3.80 3.38 -0.84 -0.98 115.31 120.77 1d8b h LEU 22 Ca 0.01 -0.54 -0.13 0.00 0.09 0.00 0.00 57.88 57.31 1d8b h LEU 22 Cb 0.74 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1d8b h LEU 22 CO 0.06 1.34 -0.41 -0.09 0.09 0.00 0.00 178.44 179.42 1d8b h ARG 23 N 0.31 0.52 -0.00 1.13 9.65 -0.44 0.18 114.38 125.72 1d8b h ARG 23 Ca -0.09 -0.26 -0.25 0.00 -1.10 0.00 0.00 59.98 58.28 1d8b h ARG 23 Cb 1.59 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 30.19 1d8b h ARG 23 CO 0.18 0.84 -0.99 1.49 2.80 0.00 0.00 179.97 184.29 1d8b h GLU 24 N 0.43 0.56 -0.13 0.20 4.22 -1.03 -2.58 114.58 116.25 1d8b h GLU 24 Ca 0.04 -0.60 -0.17 0.00 0.08 0.00 0.00 59.36 58.71 1d8b h GLU 24 Cb 0.90 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1d8b h GLU 24 CO 0.08 1.22 -0.63 1.25 -2.18 0.00 0.00 179.01 178.74 1d8b h LEU 25 N 0.32 0.53 -0.55 1.64 6.46 -1.06 -1.76 115.31 120.89 1d8b h LEU 25 Ca -0.10 -0.31 -0.10 0.00 -0.12 0.00 0.00 57.88 57.25 1d8b h LEU 25 Cb 1.63 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 41.39 1d8b h LEU 25 CO 0.18 1.03 -0.03 -1.28 -0.62 0.00 0.00 178.44 177.72 1d8b h SER 26 N 0.34 0.97 0.76 1.25 0.87 -0.66 0.18 113.55 117.26 1d8b h SER 26 Ca -0.01 -0.32 -0.18 0.00 -1.23 0.00 0.00 61.79 60.04 1d8b h SER 26 Cb 1.19 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 1d8b h SER 26 CO 0.11 1.06 -0.85 -0.07 -0.53 0.00 0.00 176.83 176.55 1d8b h LEU 27 N 0.86 0.08 0.08 2.23 4.07 -1.43 -1.31 115.31 119.89 1d8b h LEU 27 Ca 0.15 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 1d8b h LEU 27 Cb 0.58 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1d8b h LEU 27 CO 0.03 0.89 -0.04 0.78 -1.08 0.00 0.00 178.44 179.03 1d8b h ASN 28 N 0.03 -0.09 -0.90 -0.43 2.35 -1.19 -2.95 115.58 112.40 1d8b h ASN 28 Ca -0.02 -0.45 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 1d8b h ASN 28 Cb 1.49 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.84 1d8b h ASN 28 CO 0.12 0.57 0.51 -0.07 -1.65 0.00 0.00 177.43 176.90 1d8b h LEU 29 N -0.93 1.11 -1.95 1.61 3.38 -0.74 0.01 115.31 117.80 1d8b h LEU 29 Ca -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1d8b h LEU 29 Cb 0.54 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1d8b h LEU 29 CO 0.02 0.88 -0.06 1.23 0.09 0.00 0.00 178.44 180.59 1d8b h GLY 30 N 1.25 0.00 0.42 0.83 0.00 -1.34 -0.20 103.07 104.03 1d8b h GLY 30 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1d8b h GLY 30 CO -0.05 0.00 -1.04 -2.01 0.00 0.00 0.00 176.54 173.44 1d8b n ASN 31 N -4.34 0.66 -0.28 0.19 5.15 -0.79 -0.48 115.26 115.36 1d8b n ASN 31 Ca -0.03 -0.43 0.12 0.00 -0.60 0.00 0.00 54.58 53.64 1d8b n ASN 31 Cb 0.14 0.89 0.20 0.00 -0.53 0.00 0.00 39.78 40.48 1d8b n ASN 31 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1d8b n ARG 32 N -1.79 0.80 -3.47 1.20 0.63 -0.08 -4.81 116.66 109.14 1d8b n ARG 32 Ca 0.02 -0.56 -0.28 0.00 -0.92 0.00 0.00 57.85 56.11 1d8b n ARG 32 Cb 0.40 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 31.79 1d8b n ARG 32 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1d8b s MET 33 N -2.59 3.59 -0.20 -0.14 -1.94 -0.18 -5.04 119.30 112.80 1d8b s MET 33 Ca 0.20 -0.13 0.01 0.00 -1.71 0.00 0.00 55.69 54.07 1d8b s MET 33 Cb 0.18 -2.72 0.04 0.00 2.01 0.00 0.00 34.83 34.34 1d8b s MET 33 CO 0.59 0.28 -0.14 0.08 -0.01 0.00 0.00 175.02 175.81 1d8b s VAL 34 N -2.01 1.93 0.44 -6.03 1.01 -1.26 -1.75 120.40 112.73 1d8b s VAL 34 Ca 0.42 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 1d8b s VAL 34 Cb -0.11 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1d8b s VAL 34 CO 0.30 0.28 0.80 -2.16 0.00 0.00 0.00 175.10 174.31 1d8b s PRO 35 N 1.29 3.70 -0.34 2.72 0.05 -1.26 -5.06 135.00 136.10 1d8b s PRO 35 Ca -0.00 0.42 -0.41 0.00 0.05 0.00 0.00 61.00 61.06 1d8b s PRO 35 Cb -0.16 -2.36 -0.16 0.00 0.05 0.00 0.00 34.50 31.88 1d8b s PRO 35 CO -0.09 -0.13 1.82 -2.30 0.05 0.00 0.00 177.00 176.35 1d8b n PRO 36 N -1.68 0.91 0.05 0.56 -0.02 -0.72 -4.85 135.00 129.24 1d8b n PRO 36 Ca 0.02 0.32 -0.07 0.00 -2.02 0.00 0.00 63.50 61.75 1d8b n PRO 36 Cb 0.54 -2.03 0.09 0.00 -0.02 0.00 0.00 33.50 32.09 1d8b n PRO 36 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1d8b h VAL 37 N 5.61 1.35 0.00 -1.45 2.07 -1.02 -3.48 116.25 119.33 1d8b h VAL 37 Ca -0.40 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1d8b h VAL 37 Cb 1.33 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1d8b h VAL 37 CO 0.98 0.56 0.00 0.61 0.02 0.00 0.00 177.57 179.75 1d8b n GLY 38 N 0.23 2.08 3.09 2.17 0.00 -1.24 -4.59 105.19 106.94 1d8b n GLY 38 Ca -0.03 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1d8b n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1d8b s ASN 39 N 0.00 5.81 0.14 1.61 2.47 -1.26 -4.76 114.94 118.95 1d8b s ASN 39 Ca 0.00 -3.62 -0.18 0.00 0.42 0.00 0.00 52.86 49.47 1d8b s ASN 39 Cb 0.00 -1.88 0.00 0.00 -1.45 0.00 0.00 41.25 37.92 1d8b s ASN 39 CO 0.00 -0.20 1.73 0.15 -3.72 0.00 0.00 177.10 175.06 1d8b h PHE 40 N 6.09 0.07 -3.31 0.43 3.57 -1.81 -3.41 116.94 118.57 1d8b h PHE 40 Ca 0.14 0.02 -0.41 0.00 3.53 0.00 0.00 57.97 61.24 1d8b h PHE 40 Cb 0.83 0.01 -0.37 0.00 2.79 0.00 0.00 35.95 39.20 1d8b h PHE 40 CO 0.72 0.01 -0.76 1.41 -2.23 0.00 0.00 178.31 177.46 1d8b s MET 41 N -6.18 0.49 0.47 1.11 1.75 -1.26 -5.06 119.30 110.61 1d8b s MET 41 Ca -0.13 0.13 -0.24 0.00 -1.25 0.00 0.00 55.69 54.20 1d8b s MET 41 Cb 0.11 -0.83 -0.08 0.00 2.84 0.00 0.00 34.83 36.86 1d8b s MET 41 CO 0.69 -0.27 1.23 -2.30 -0.65 0.00 0.00 175.02 173.72 1d8b n PRO 42 N 4.95 1.71 -0.34 4.11 -0.02 -1.26 -4.74 135.00 139.41 1d8b n PRO 42 Ca -0.10 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 1d8b n PRO 42 Cb 0.50 -2.36 0.31 0.00 -0.02 0.00 0.00 33.50 31.93 1d8b n PRO 42 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1d8b h ASP 43 N 1.73 0.81 -0.74 2.55 3.58 -1.99 -0.01 116.42 122.35 1d8b h ASP 43 Ca -0.48 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 56.99 1d8b h ASP 43 Cb 1.31 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.24 1d8b h ASP 43 CO 0.58 0.37 0.28 0.77 -2.88 0.00 0.00 179.24 178.36 1d8b h SER 44 N 0.83 1.04 0.02 2.28 4.64 -2.00 -1.70 113.55 118.66 1d8b h SER 44 Ca 0.52 -0.18 -0.17 0.00 -0.47 0.00 0.00 61.79 61.49 1d8b h SER 44 Cb 0.72 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1d8b h SER 44 CO -0.30 0.94 -0.59 0.40 -0.87 0.00 0.00 176.83 176.41 1d8b h ILE 45 N 1.07 1.32 -0.76 0.95 1.08 -1.52 -2.83 117.51 116.83 1d8b h ILE 45 Ca 0.25 -1.85 -0.05 0.00 -0.39 0.00 0.00 64.86 62.81 1d8b h ILE 45 Cb 0.23 1.82 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 1d8b h ILE 45 CO -0.02 0.58 0.29 -0.07 -0.69 0.00 0.00 178.15 178.24 1d8b h LEU 46 N 0.43 1.06 -0.13 1.44 3.38 -0.79 0.14 115.31 120.85 1d8b h LEU 46 Ca -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1d8b h LEU 46 Cb 1.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1d8b h LEU 46 CO 0.11 0.95 0.04 0.11 0.09 0.00 0.00 178.44 179.74 1d8b h LYS 47 N 1.10 0.21 -0.25 1.13 1.57 -1.25 -0.68 116.57 118.40 1d8b h LYS 47 Ca 0.25 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 1d8b h LYS 47 Cb 0.23 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1d8b h LYS 47 CO -0.02 0.34 -0.56 1.57 -0.57 0.00 0.00 179.45 180.21 1d8b h LYS 48 N 0.03 0.81 0.00 3.15 2.10 -1.39 -1.41 116.57 119.87 1d8b h LYS 48 Ca 0.04 -0.55 -0.07 0.00 -2.00 0.00 0.00 60.65 58.08 1d8b h LYS 48 Cb 0.22 0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 1d8b h LYS 48 CO -0.00 1.17 -0.33 0.00 -2.00 0.00 0.00 179.45 178.29 1d8b h MET 49 N 0.57 0.00 0.06 0.07 -0.00 -0.70 0.04 114.93 114.98 1d8b h MET 49 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 59.43 1d8b h MET 49 Cb 1.17 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.75 1d8b h MET 49 CO 0.12 0.33 -1.34 0.00 -0.00 0.00 0.00 176.91 176.02 1d8b h ALA 50 N 1.67 0.34 0.05 -3.00 0.00 -1.06 0.19 119.26 117.46 1d8b h ALA 50 Ca -0.00 -1.06 -0.26 0.00 0.00 0.00 0.00 54.91 53.59 1d8b h ALA 50 Cb 0.61 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1d8b h ALA 50 CO 0.04 1.22 -1.07 0.00 0.00 0.00 0.00 179.25 179.44 1d8b h ALA 51 N 0.75 0.21 0.03 0.00 0.00 -1.02 -3.35 119.26 115.88 1d8b h ALA 51 Ca -0.16 -0.75 -0.35 0.00 0.00 0.00 0.00 54.91 53.65 1d8b h ALA 51 Cb 1.93 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.69 1d8b h ALA 51 CO 0.15 0.79 -2.14 -0.89 0.00 0.00 0.00 179.25 177.16 1d8b n ILE 52 N -3.74 1.58 -3.35 0.00 -0.00 -0.02 -5.04 119.36 108.78 1d8b n ILE 52 Ca -0.09 -0.72 -0.14 0.00 -0.00 0.00 0.00 62.75 61.80 1d8b n ILE 52 Cb 0.90 -1.19 0.01 0.00 -0.00 0.00 0.00 39.64 39.36 1d8b n ILE 52 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1d8b n LEU 53 N -3.15 -4.67 -4.48 1.39 4.77 0.67 -4.92 117.00 106.61 1d8b n LEU 53 Ca -0.32 -0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 54.89 1d8b n LEU 53 Cb 1.06 -2.52 -0.06 0.00 -2.33 0.00 0.00 43.42 39.57 1d8b n LEU 53 CO 0.39 -0.60 0.44 -2.16 -1.33 0.00 0.00 177.39 174.13 1d8b s PRO 54 N -3.60 3.21 -0.46 3.23 0.05 -1.26 -4.92 135.00 131.25 1d8b s PRO 54 Ca 0.08 -0.61 0.04 0.00 0.05 0.00 0.00 61.00 60.55 1d8b s PRO 54 Cb -0.01 -4.05 0.65 0.00 0.05 0.00 0.00 34.50 31.14 1d8b s PRO 54 CO 0.82 -1.23 1.92 -1.33 0.05 0.00 0.00 177.00 177.24 1d8b n MET 55 N 6.49 2.27 -3.64 4.56 2.81 -1.26 -4.72 117.12 123.62 1d8b n MET 55 Ca -0.03 -3.01 -0.15 0.00 -1.81 0.00 0.00 57.70 52.70 1d8b n MET 55 Cb 0.46 -2.18 -0.08 0.00 -0.71 0.00 0.00 33.22 30.72 1d8b n MET 55 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1d8b s ASN 56 N -1.32 -0.51 0.22 7.83 3.84 -1.26 -5.07 114.94 118.67 1d8b s ASN 56 Ca 0.57 0.71 -0.08 0.00 0.21 0.00 0.00 52.86 54.27 1d8b s ASN 56 Cb 0.48 0.71 0.32 0.00 -0.55 0.00 0.00 41.25 42.21 1d8b s ASN 56 CO 0.10 -0.41 1.76 -0.78 -2.79 0.00 0.00 177.10 174.98 1d8b h ASP 57 N 4.08 0.36 -0.26 -4.21 3.58 -1.99 -0.37 116.42 117.61 1d8b h ASP 57 Ca -0.28 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 1d8b h ASP 57 Cb 1.16 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 1d8b h ASP 57 CO 0.30 0.20 0.08 0.28 -2.88 0.00 0.00 179.24 177.23 1d8b h SER 58 N 0.52 0.44 0.87 2.28 0.02 -1.99 -2.24 113.55 113.45 1d8b h SER 58 Ca 0.34 -0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 61.04 1d8b h SER 58 Cb 0.39 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1d8b h SER 58 CO -0.29 0.45 -0.91 0.00 -1.14 0.00 0.00 176.83 174.94 1d8b h ALA 59 N 1.61 0.50 -0.03 3.77 0.00 -1.71 -3.21 119.26 120.19 1d8b h ALA 59 Ca 0.11 -0.82 0.01 0.00 0.00 0.00 0.00 54.91 54.22 1d8b h ALA 59 Cb 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1d8b h ALA 59 CO -0.00 1.11 0.04 0.74 0.00 0.00 0.00 179.25 181.13 1d8b h PHE 60 N 0.01 0.00 0.00 0.00 0.04 -0.46 -1.70 116.94 114.83 1d8b h PHE 60 Ca -0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1d8b h PHE 60 Cb 1.60 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.75 1d8b h PHE 60 CO 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 178.31 177.71 1d8b h ALA 61 N 1.95 1.49 0.00 2.45 0.00 -1.55 -0.93 119.26 122.67 1d8b h ALA 61 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1d8b h ALA 61 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1d8b h ALA 61 CO -0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1d8b n THR 62 N -3.79 0.86 1.82 0.00 -2.24 -0.64 -1.70 114.28 108.59 1d8b n THR 62 Ca -0.03 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1d8b n THR 62 Cb 0.08 -1.12 0.01 0.00 -2.10 0.00 0.00 70.33 67.20 1d8b n THR 62 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1d8b n LEU 63 N -2.08 0.23 -0.27 3.22 4.77 -0.35 -4.77 117.00 117.74 1d8b n LEU 63 Ca 0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1d8b n LEU 63 Cb 0.22 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1d8b n LEU 63 CO 0.18 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1d8b n GLY 64 N 0.47 0.96 3.24 -0.72 0.00 -0.90 -4.48 105.19 103.76 1d8b n GLY 64 Ca 0.01 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 1d8b n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d8b n THR 65 N -1.91 -7.13 -1.74 2.61 -2.24 -0.69 -4.86 114.28 98.33 1d8b n THR 65 Ca 0.00 0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 61.73 1d8b n THR 65 Cb 0.33 -5.21 -0.02 0.00 -2.10 0.00 0.00 70.33 63.33 1d8b n THR 65 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1d8b n VAL 66 N -0.54 0.61 -1.13 2.28 0.24 -1.26 -4.97 118.33 113.56 1d8b n VAL 66 Ca -0.02 -0.15 -0.30 0.00 -2.04 0.00 0.00 64.34 61.82 1d8b n VAL 66 Cb 0.59 -1.99 0.13 0.00 -1.47 0.00 0.00 33.84 31.09 1d8b n VAL 66 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1d8b s GLU 67 N 0.17 1.55 0.36 7.34 2.12 -1.26 -4.82 118.70 124.15 1d8b s GLU 67 Ca 0.68 1.06 0.03 0.00 0.36 0.00 0.00 54.97 57.11 1d8b s GLU 67 Cb -0.49 -1.82 0.67 0.00 0.26 0.00 0.00 34.13 32.74 1d8b s GLU 67 CO 0.42 -2.11 2.01 0.22 -0.54 0.00 0.00 175.26 175.26 1d8b h ASP 68 N -1.46 0.70 -0.06 -1.70 3.58 -1.99 -0.65 116.42 114.84 1d8b h ASP 68 Ca -0.47 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 56.99 1d8b h ASP 68 Cb 1.26 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.14 1d8b h ASP 68 CO 0.51 0.50 0.06 0.07 -2.88 0.00 0.00 179.24 177.51 1d8b h LYS 69 N 0.83 0.00 0.03 0.28 2.10 -2.01 0.11 116.57 117.91 1d8b h LYS 69 Ca 0.24 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.63 1d8b h LYS 69 Cb -0.05 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.25 1d8b h LYS 69 CO -0.06 0.00 -1.37 1.88 -2.00 0.00 0.00 179.45 177.91 1d8b h TYR 70 N 0.00 0.11 -0.50 0.07 0.05 -1.49 -3.33 116.97 111.88 1d8b h TYR 70 Ca 0.03 -0.08 -0.13 0.00 0.05 0.00 0.00 58.73 58.60 1d8b h TYR 70 Cb 0.16 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1d8b h TYR 70 CO 0.00 1.09 -0.19 0.00 -1.05 0.00 0.00 178.16 178.02 1d8b h ARG 71 N 0.02 1.01 -0.63 4.88 3.08 -0.26 -1.28 114.38 121.20 1d8b h ARG 71 Ca -0.16 -0.42 0.06 0.00 0.07 0.00 0.00 59.98 59.54 1d8b h ARG 71 Cb 1.91 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.86 1d8b h ARG 71 CO 0.12 1.10 0.32 0.00 -1.07 0.00 0.00 179.97 180.44 1d8b h ARG 72 N 0.87 0.58 -0.01 0.04 3.08 -1.05 -1.32 114.38 116.57 1d8b h ARG 72 Ca 0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1d8b h ARG 72 Cb 0.77 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1d8b h ARG 72 CO 0.06 0.38 -0.29 2.89 -1.07 0.00 0.00 179.97 181.95 1d8b n ARG 73 N -4.84 1.07 -0.10 0.04 0.00 -1.22 -4.09 116.66 107.51 1d8b n ARG 73 Ca 0.08 -0.73 0.05 0.00 -0.00 0.00 0.00 57.85 57.25 1d8b n ARG 73 Cb 0.19 -1.48 0.38 0.00 -0.00 0.00 0.00 32.46 31.54 1d8b n ARG 73 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1d8b h PHE 74 N 1.78 0.66 -0.03 2.89 3.04 -0.01 -1.27 116.94 124.00 1d8b h PHE 74 Ca 0.00 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.97 1d8b h PHE 74 Cb 0.59 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.88 1d8b h PHE 74 CO 0.00 0.38 0.05 1.57 -2.02 0.00 0.00 178.31 178.30 1d8b h LYS 75 N 0.68 0.00 0.00 1.11 2.10 -1.71 0.14 116.57 118.89 1d8b h LYS 75 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1d8b h LYS 75 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1d8b h LYS 75 CO -0.06 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.05 1d8b n TYR 76 N -3.51 0.00 0.08 0.07 4.01 -0.48 -2.94 117.16 114.39 1d8b n TYR 76 Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.75 1d8b n TYR 76 Cb 0.14 -0.35 -0.05 0.00 -0.31 0.00 0.00 39.34 38.77 1d8b n TYR 76 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1d8b n PHE 77 N -1.35 0.00 0.02 -0.72 3.72 0.40 -4.63 117.46 114.90 1d8b n PHE 77 Ca 0.11 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.71 1d8b n PHE 77 Cb 0.24 -0.12 0.71 0.00 -0.94 0.00 0.00 39.48 39.36 1d8b n PHE 77 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1d8b h LYS 78 N 0.00 0.00 -0.12 -1.08 1.57 -1.24 0.27 116.57 115.97 1d8b h LYS 78 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1d8b h LYS 78 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1d8b h LYS 78 CO 0.00 0.00 -0.57 0.00 -0.57 0.00 0.00 179.45 178.31 1d8b h ALA 79 N 1.71 0.79 0.17 3.86 0.00 -1.82 -2.22 119.26 121.75 1d8b h ALA 79 Ca 0.24 -0.52 -0.35 0.00 0.00 0.00 0.00 54.91 54.27 1d8b h ALA 79 Cb 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1d8b h ALA 79 CO -0.00 0.70 -1.81 1.15 0.00 0.00 0.00 179.25 179.29 1d8b h THR 80 N 0.29 0.86 -0.72 0.00 2.02 -1.31 -3.28 112.91 110.77 1d8b h THR 80 Ca 0.00 -2.48 0.03 0.00 0.77 0.00 0.00 66.41 64.73 1d8b h THR 80 Cb 1.09 2.70 -0.05 0.00 -1.74 0.00 0.00 68.15 70.15 1d8b h THR 80 CO 0.10 0.87 0.45 0.40 0.37 0.00 0.00 175.52 177.70 1d8b h ILE 81 N 0.10 1.09 -0.95 3.11 2.04 -0.62 0.42 117.51 122.69 1d8b h ILE 81 Ca -0.36 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1d8b h ILE 81 Cb 2.08 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.25 1d8b h ILE 81 CO 0.16 0.16 0.61 0.00 0.00 0.00 0.00 178.15 179.07 1d8b h ALA 82 N 1.31 1.28 0.02 1.87 0.00 -1.54 -1.51 119.26 120.69 1d8b h ALA 82 Ca 0.29 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1d8b h ALA 82 Cb 0.04 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.45 1d8b h ALA 82 CO -0.12 0.65 -0.40 0.22 0.00 0.00 0.00 179.25 179.60 1d8b h ASP 83 N 1.30 0.32 0.03 0.00 3.58 -1.47 -3.15 116.42 117.02 1d8b h ASP 83 Ca 0.35 -0.81 -0.02 0.00 0.42 0.00 0.00 57.03 56.97 1d8b h ASP 83 Cb -0.11 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1d8b h ASP 83 CO -0.07 1.09 -0.06 -0.07 -2.88 0.00 0.00 179.24 177.26 1d8b h LEU 84 N -0.41 0.08 -0.67 2.28 3.38 -0.85 -0.79 115.31 118.33 1d8b h LEU 84 Ca -0.05 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1d8b h LEU 84 Cb 1.17 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1d8b h LEU 84 CO 0.08 0.15 -0.53 0.77 0.09 0.00 0.00 178.44 179.00 1d8b h SER 85 N 0.09 0.00 -0.50 -0.43 4.64 -1.35 0.49 113.55 116.48 1d8b h SER 85 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1d8b h SER 85 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1d8b h SER 85 CO 0.01 0.53 0.00 0.29 -0.87 0.00 0.00 176.83 176.79 1d8b n LYS 86 N -3.55 2.46 0.00 4.77 5.02 -0.62 -4.10 118.16 122.14 1d8b n LYS 86 Ca -0.00 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.05 1d8b n LYS 86 Cb 0.61 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1d8b n LYS 86 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1d8b n LYS 87 N 1.37 -0.09 -1.76 1.97 4.76 -0.40 -4.34 118.16 119.67 1d8b n LYS 87 Ca 0.20 -0.30 -0.42 0.00 -2.87 0.00 0.00 58.31 54.93 1d8b n LYS 87 Cb 0.56 -0.67 -0.03 0.00 -1.84 0.00 0.00 35.03 33.05 1d8b n LYS 87 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1d8b s ARG 88 N -0.06 4.15 0.00 1.97 3.52 0.14 -3.69 118.95 124.98 1d8b s ARG 88 Ca 0.00 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.11 1d8b s ARG 88 Cb 0.00 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.47 1d8b s ARG 88 CO 0.00 -0.88 0.00 0.43 -0.81 0.00 0.00 175.30 174.04 1d8b n SER 89 N 6.74 0.00 0.11 -2.12 7.64 -1.26 -2.89 113.62 121.84 1d8b n SER 89 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1d8b n SER 89 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1d8b n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1d8b n SER 90 N 1.61 -0.87 0.00 6.43 7.64 -1.24 -5.06 113.62 122.13 1d8b n SER 90 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1d8b n SER 90 Cb 0.00 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1d8b n SER 90 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24