#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8b s LEU 12 N 0.00 2.03 -0.51 4.31 1.43 -1.26 -4.94 118.68 119.74 1d8b s LEU 12 Ca 0.00 0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 53.90 1d8b s LEU 12 Cb 0.00 -3.08 0.16 0.00 0.03 0.00 0.00 46.19 43.30 1d8b s LEU 12 CO 0.00 -2.65 2.49 0.59 0.23 0.00 0.00 176.35 177.00 1d8b n ASN 13 N -3.81 6.72 -0.08 2.29 4.13 -1.26 -4.55 115.26 118.69 1d8b n ASN 13 Ca 0.08 -3.32 -0.12 0.00 1.68 0.00 0.00 54.58 52.90 1d8b n ASN 13 Cb 0.59 -1.16 -0.05 0.00 -1.54 0.00 0.00 39.78 37.63 1d8b n ASN 13 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 1d8b h ASN 14 N 2.68 0.48 -0.65 6.41 -0.73 -1.99 0.46 115.58 122.24 1d8b h ASN 14 Ca 0.42 -0.38 -0.04 0.00 1.87 0.00 0.00 56.30 58.17 1d8b h ASN 14 Cb 0.65 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.08 1d8b h ASN 14 CO 0.99 0.75 0.27 0.25 -0.37 0.00 0.00 177.43 179.32 1d8b h LEU 15 N 0.21 0.91 -0.51 0.34 6.46 -1.90 -0.44 115.31 120.37 1d8b h LEU 15 Ca 0.06 -0.13 -0.13 0.00 -0.12 0.00 0.00 57.88 57.56 1d8b h LEU 15 Cb 0.54 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1d8b h LEU 15 CO 0.03 0.81 -0.19 -0.09 -0.62 0.00 0.00 178.44 178.37 1d8b h ARG 16 N 0.97 1.01 -0.78 1.25 1.12 -1.87 -0.33 114.38 115.75 1d8b h ARG 16 Ca 0.23 -0.42 -0.02 0.00 -1.11 0.00 0.00 59.98 58.66 1d8b h ARG 16 Cb 0.18 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.07 1d8b h ARG 16 CO -0.02 1.10 0.42 1.98 -3.11 0.00 0.00 179.97 180.34 1d8b h MET 17 N 0.87 1.10 -0.42 0.20 4.05 -0.27 0.40 114.93 120.87 1d8b h MET 17 Ca 0.12 -0.14 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1d8b h MET 17 Cb 0.77 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 1d8b h MET 17 CO 0.06 0.82 0.13 1.15 0.23 0.00 0.00 176.91 179.31 1d8b h THR 18 N 1.09 1.22 -0.51 -0.77 2.02 -0.86 -0.44 112.91 114.66 1d8b h THR 18 Ca 0.27 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 66.66 1d8b h THR 18 Cb 0.05 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1d8b h THR 18 CO -0.04 0.25 -0.01 0.22 0.37 0.00 0.00 175.52 176.31 1d8b h TYR 19 N 0.53 1.00 -0.30 3.16 3.20 -0.54 -1.65 116.97 122.37 1d8b h TYR 19 Ca 0.14 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1d8b h TYR 19 Cb 0.25 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1d8b h TYR 19 CO 0.01 0.93 0.14 0.93 -1.64 0.00 0.00 178.16 178.53 1d8b h GLU 20 N 0.78 0.44 -0.36 1.82 5.08 -0.01 0.15 114.58 122.47 1d8b h GLU 20 Ca 0.14 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1d8b h GLU 20 Cb 0.54 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1d8b h GLU 20 CO 0.03 0.41 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.35 1d8b h ARG 21 N 0.35 0.57 -0.23 2.33 9.65 -1.00 -0.88 114.38 125.17 1d8b h ARG 21 Ca 0.10 -0.13 -0.20 0.00 -1.10 0.00 0.00 59.98 58.65 1d8b h ARG 21 Cb 0.12 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1d8b h ARG 21 CO -0.01 0.60 -0.63 -0.07 2.80 0.00 0.00 179.97 182.66 1d8b h LEU 22 N 0.54 0.95 -0.55 3.80 3.38 -0.90 -1.38 115.31 121.15 1d8b h LEU 22 Ca 0.11 -0.58 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 1d8b h LEU 22 Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1d8b h LEU 22 CO 0.01 1.36 -0.03 -0.09 0.09 0.00 0.00 178.44 179.78 1d8b h ARG 23 N 0.59 0.98 -0.21 1.13 2.43 -0.41 0.16 114.38 119.06 1d8b h ARG 23 Ca -0.02 -0.33 -0.11 0.00 -0.81 0.00 0.00 59.98 58.71 1d8b h ARG 23 Cb 1.25 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1d8b h ARG 23 CO 0.14 1.00 -0.36 1.49 -1.51 0.00 0.00 179.97 180.73 1d8b h GLU 24 N 0.86 0.45 -0.08 0.20 4.22 -1.17 -2.39 114.58 116.67 1d8b h GLU 24 Ca 0.15 -0.21 -0.18 0.00 0.08 0.00 0.00 59.36 59.20 1d8b h GLU 24 Cb 0.58 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1d8b h GLU 24 CO 0.03 0.75 -0.72 1.25 -2.18 0.00 0.00 179.01 178.15 1d8b h LEU 25 N 0.38 0.47 -1.00 1.64 6.46 -0.95 -2.29 115.31 120.02 1d8b h LEU 25 Ca 0.04 -0.30 -0.06 0.00 -0.12 0.00 0.00 57.88 57.43 1d8b h LEU 25 Cb 0.81 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 1d8b h LEU 25 CO 0.07 1.04 0.03 0.28 -0.62 0.00 0.00 178.44 179.23 1d8b h SER 26 N 0.27 0.71 0.44 1.25 0.02 -0.44 0.21 113.55 116.01 1d8b h SER 26 Ca -0.03 -0.16 -0.17 0.00 -0.84 0.00 0.00 61.79 60.59 1d8b h SER 26 Cb 1.29 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1d8b h SER 26 CO 0.12 0.76 -0.74 -0.07 -1.14 0.00 0.00 176.83 175.77 1d8b h LEU 27 N 0.71 0.30 0.03 5.07 4.07 -1.35 -1.64 115.31 122.50 1d8b h LEU 27 Ca 0.15 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 1d8b h LEU 27 Cb 0.40 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1d8b h LEU 27 CO 0.01 0.93 -0.01 -1.13 -1.08 0.00 0.00 178.44 177.16 1d8b h ASN 28 N 0.16 -0.03 -0.07 -0.43 -0.73 -1.00 -3.27 115.58 110.20 1d8b h ASN 28 Ca -0.03 -0.60 -0.05 0.00 1.87 0.00 0.00 56.30 57.49 1d8b h ASN 28 Cb 1.31 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.89 1d8b h ASN 28 CO 0.12 0.73 -0.08 -0.07 -0.37 0.00 0.00 177.43 177.76 1d8b h LEU 29 N -0.95 0.32 -1.64 0.34 3.38 -0.71 -0.63 115.31 115.42 1d8b h LEU 29 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1d8b h LEU 29 Cb 0.64 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1d8b h LEU 29 CO 0.01 0.45 0.24 1.23 0.09 0.00 0.00 178.44 180.45 1d8b h GLY 30 N 0.76 0.51 0.02 0.83 0.00 -1.41 -0.51 103.07 103.29 1d8b h GLY 30 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1d8b h GLY 30 CO 0.02 0.19 -1.14 -2.01 0.00 0.00 0.00 176.54 173.59 1d8b n ASN 31 N -4.48 0.84 -0.48 0.19 5.15 -1.00 0.22 115.26 115.69 1d8b n ASN 31 Ca 0.02 -0.83 0.13 0.00 -0.60 0.00 0.00 54.58 53.31 1d8b n ASN 31 Cb 0.06 1.14 0.30 0.00 -0.53 0.00 0.00 39.78 40.75 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 -1.62 1.40 -3.11 1.20 0.63 -0.28 -4.82 116.66 110.06 1d8b n ARG 32 Ca 0.03 -0.96 -0.26 0.00 -0.92 0.00 0.00 57.85 55.74 1d8b n ARG 32 Cb 0.37 -1.48 -0.01 0.00 0.45 0.00 0.00 32.46 31.79 1d8b n ARG 32 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1d8b s MET 33 N -2.27 3.52 -0.26 -0.14 1.75 -0.27 -5.01 119.30 116.63 1d8b s MET 33 Ca 0.28 -0.10 0.02 0.00 -1.25 0.00 0.00 55.69 54.63 1d8b s MET 33 Cb 0.20 -2.56 0.07 0.00 2.84 0.00 0.00 34.83 35.38 1d8b s MET 33 CO 0.44 0.03 -0.06 0.08 -0.65 0.00 0.00 175.02 174.86 1d8b s VAL 34 N -2.44 1.87 0.69 10.11 1.01 -1.26 -2.34 120.40 128.04 1d8b s VAL 34 Ca 0.43 -1.55 -0.07 0.00 0.00 0.00 0.00 61.98 60.79 1d8b s VAL 34 Cb -0.10 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1d8b s VAL 34 CO 0.38 -0.16 1.01 -2.16 0.00 0.00 0.00 175.10 174.17 1d8b s PRO 35 N 1.21 2.37 0.28 2.72 0.04 -1.26 -5.10 135.00 135.27 1d8b s PRO 35 Ca -0.04 -0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.56 1d8b s PRO 35 Cb -0.19 -2.17 -0.14 0.00 0.04 0.00 0.00 34.50 32.04 1d8b s PRO 35 CO -0.07 -1.14 1.17 -2.30 0.04 0.00 0.00 177.00 174.71 1d8b n PRO 36 N -2.88 1.64 -0.04 0.56 -0.02 -0.99 -4.93 135.00 128.34 1d8b n PRO 36 Ca 0.07 0.58 -0.09 0.00 -2.02 0.00 0.00 63.50 62.04 1d8b n PRO 36 Cb 0.60 -2.07 -0.15 0.00 -0.02 0.00 0.00 33.50 31.86 1d8b n PRO 36 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1d8b n VAL 37 N 0.72 1.55 0.00 -1.45 0.31 0.13 -4.99 118.33 114.60 1d8b n VAL 37 Ca 0.09 -0.81 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 1d8b n VAL 37 Cb 0.32 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 1d8b n VAL 37 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d8b n GLY 38 N 1.61 2.01 3.04 2.92 0.00 -1.21 -4.40 105.19 109.16 1d8b n GLY 38 Ca -0.21 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1d8b n GLY 38 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1d8b n ASN 39 N 4.07 5.84 0.00 1.61 2.85 -1.26 -4.86 115.26 123.52 1d8b n ASN 39 Ca 0.00 -3.31 0.00 0.00 -0.11 0.00 0.00 54.58 51.16 1d8b n ASN 39 Cb 0.00 -1.23 0.00 0.00 1.24 0.00 0.00 39.78 39.79 1d8b n ASN 39 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1d8b n PHE 40 N 1.65 0.00 -5.05 1.20 7.35 -1.26 -4.56 117.46 116.79 1d8b n PHE 40 Ca 0.26 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.62 1d8b n PHE 40 Cb 0.35 -0.23 -0.16 0.00 0.35 0.00 0.00 39.48 39.80 1d8b n PHE 40 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1d8b s MET 41 N -1.91 2.98 0.45 -4.13 1.75 -1.26 -5.09 119.30 112.09 1d8b s MET 41 Ca 0.00 -0.80 -0.23 0.00 -1.25 0.00 0.00 55.69 53.41 1d8b s MET 41 Cb 0.00 -2.38 -0.08 0.00 2.84 0.00 0.00 34.83 35.21 1d8b s MET 41 CO 0.00 0.29 1.12 -2.14 -0.65 0.00 0.00 175.02 173.64 1d8b s PRO 42 N 0.10 3.82 0.31 4.11 0.02 -1.26 -4.81 135.00 137.29 1d8b s PRO 42 Ca -0.09 1.66 0.07 0.00 0.02 0.00 0.00 61.00 62.66 1d8b s PRO 42 Cb -0.15 -2.38 0.82 0.00 0.02 0.00 0.00 34.50 32.81 1d8b s PRO 42 CO 0.06 -0.47 1.72 0.22 -0.33 0.00 0.00 177.00 178.20 1d8b h ASP 43 N 2.04 0.55 -0.13 2.53 3.58 -1.99 0.12 116.42 123.12 1d8b h ASP 43 Ca -0.49 0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.11 1d8b h ASP 43 Cb 1.24 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 1d8b h ASP 43 CO 0.60 0.07 0.06 0.77 -2.88 0.00 0.00 179.24 177.87 1d8b h SER 44 N 0.52 0.09 -0.01 2.28 4.64 -2.00 -1.09 113.55 117.98 1d8b h SER 44 Ca 0.61 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.80 1d8b h SER 44 Cb 1.15 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1d8b h SER 44 CO -0.49 0.07 -0.43 0.40 -0.87 0.00 0.00 176.83 175.51 1d8b h ILE 45 N 0.14 1.30 -0.63 0.95 1.08 -1.49 -2.68 117.51 116.18 1d8b h ILE 45 Ca 0.05 -1.61 -0.03 0.00 -0.39 0.00 0.00 64.86 62.88 1d8b h ILE 45 Cb 0.01 1.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 1d8b h ILE 45 CO -0.04 0.50 0.26 -0.07 -0.69 0.00 0.00 178.15 178.12 1d8b h LEU 46 N 0.44 0.84 0.11 1.44 3.38 -0.56 -0.05 115.31 120.91 1d8b h LEU 46 Ca 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1d8b h LEU 46 Cb 0.93 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1d8b h LEU 46 CO 0.08 0.74 -0.05 0.11 0.09 0.00 0.00 178.44 179.41 1d8b h LYS 47 N 0.91 -0.15 -0.58 1.13 1.57 -1.02 -1.74 116.57 116.69 1d8b h LYS 47 Ca 0.22 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1d8b h LYS 47 Cb 0.16 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1d8b h LYS 47 CO -0.02 0.26 0.17 1.57 -0.57 0.00 0.00 179.45 180.86 1d8b h LYS 48 N -0.60 0.90 -0.03 3.15 2.10 -1.41 -0.91 116.57 119.78 1d8b h LYS 48 Ca -0.02 -0.20 -0.06 0.00 -2.00 0.00 0.00 60.65 58.38 1d8b h LYS 48 Cb 0.47 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 1d8b h LYS 48 CO 0.03 0.82 -0.26 0.00 -2.00 0.00 0.00 179.45 178.04 1d8b h MET 49 N 0.82 0.05 0.01 0.07 -0.00 -1.06 0.64 114.93 115.45 1d8b h MET 49 Ca 0.19 -0.01 -0.21 0.00 -0.00 0.00 0.00 59.70 59.66 1d8b h MET 49 Cb 0.30 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 31.87 1d8b h MET 49 CO -0.00 0.31 -0.98 0.00 -0.00 0.00 0.00 176.91 176.23 1d8b h ALA 50 N 1.70 0.39 0.23 -3.00 0.00 -0.87 0.16 119.26 117.87 1d8b h ALA 50 Ca 0.01 -0.87 -0.32 0.00 0.00 0.00 0.00 54.91 53.73 1d8b h ALA 50 Cb 0.48 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.17 1d8b h ALA 50 CO 0.03 1.17 -1.45 0.00 0.00 0.00 0.00 179.25 179.01 1d8b h ALA 51 N 1.00 -0.09 0.07 0.00 0.00 -0.76 -3.37 119.26 116.12 1d8b h ALA 51 Ca -0.02 -0.90 -0.32 0.00 0.00 0.00 0.00 54.91 53.67 1d8b h ALA 51 Cb 1.71 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 1d8b h ALA 51 CO 0.13 0.72 -1.75 0.82 0.00 0.00 0.00 179.25 179.17 1d8b h ILE 52 N 0.06 0.86 -5.86 0.00 5.03 -0.99 -3.50 117.51 113.11 1d8b h ILE 52 Ca -0.26 -2.62 -0.21 0.00 -0.12 0.00 0.00 64.86 61.65 1d8b h ILE 52 Cb 2.08 2.54 0.03 0.00 -3.03 0.00 0.00 36.82 38.44 1d8b h ILE 52 CO 0.24 0.72 -0.48 0.18 -0.68 0.00 0.00 178.15 178.13 1d8b n LEU 53 N -3.30 -4.88 -4.65 1.44 4.77 0.57 -4.91 117.00 106.05 1d8b n LEU 53 Ca -0.21 -0.48 -0.43 0.00 -0.03 0.00 0.00 56.01 54.85 1d8b n LEU 53 Cb 1.05 -2.73 -0.02 0.00 -2.33 0.00 0.00 43.42 39.38 1d8b n LEU 53 CO 0.46 -0.42 0.97 -2.84 -1.33 0.00 0.00 177.39 174.23 1d8b s PRO 54 N -4.02 4.17 0.07 3.23 0.02 -1.26 -4.90 135.00 132.31 1d8b s PRO 54 Ca 0.10 1.30 0.22 0.00 0.02 0.00 0.00 61.00 62.64 1d8b s PRO 54 Cb -0.03 -3.71 -0.20 0.00 0.02 0.00 0.00 34.50 30.59 1d8b s PRO 54 CO 0.80 -0.76 0.72 -1.33 -0.33 0.00 0.00 177.00 176.10 1d8b n MET 55 N 6.61 0.64 -4.49 5.54 2.81 -1.26 -4.88 117.12 122.09 1d8b n MET 55 Ca 0.12 -0.06 -0.24 0.00 -1.81 0.00 0.00 57.70 55.72 1d8b n MET 55 Cb 0.46 -1.65 -0.11 0.00 -0.71 0.00 0.00 33.22 31.22 1d8b n MET 55 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1d8b s ASN 56 N -4.88 3.11 0.19 7.83 4.22 -1.26 -5.04 114.94 119.10 1d8b s ASN 56 Ca -0.05 -1.26 -0.12 0.00 -2.14 0.00 0.00 52.86 49.29 1d8b s ASN 56 Cb 0.12 -0.23 0.17 0.00 1.28 0.00 0.00 41.25 42.59 1d8b s ASN 56 CO 0.86 -0.38 1.79 -0.78 -2.04 0.00 0.00 177.10 176.55 1d8b h ASP 57 N 2.10 0.39 -0.91 3.54 3.58 -2.00 -2.40 116.42 120.73 1d8b h ASP 57 Ca -0.41 0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.16 1d8b h ASP 57 Cb 1.24 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 42.19 1d8b h ASP 57 CO 0.71 0.27 0.59 0.28 -2.88 0.00 0.00 179.24 178.20 1d8b h SER 58 N 0.53 0.86 0.71 2.28 0.02 -2.01 -0.64 113.55 115.30 1d8b h SER 58 Ca 0.25 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.10 1d8b h SER 58 Cb 0.17 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1d8b h SER 58 CO -0.18 0.53 -0.53 0.00 -1.14 0.00 0.00 176.83 175.51 1d8b h ALA 59 N 1.53 0.98 0.00 3.77 0.00 -1.85 -2.84 119.26 120.85 1d8b h ALA 59 Ca 0.41 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1d8b h ALA 59 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1d8b h ALA 59 CO -0.17 0.67 -0.20 0.74 0.00 0.00 0.00 179.25 180.28 1d8b h PHE 60 N 0.00 0.00 0.00 0.00 0.04 -0.65 -2.13 116.94 114.20 1d8b h PHE 60 Ca -0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1d8b h PHE 60 Cb 1.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 1d8b h PHE 60 CO 0.00 0.20 -0.35 0.00 -0.60 0.00 0.00 178.31 177.56 1d8b h ALA 61 N 1.80 1.11 0.00 2.45 0.00 -1.24 -2.32 119.26 121.06 1d8b h ALA 61 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1d8b h ALA 61 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1d8b h ALA 61 CO 0.03 0.44 0.00 0.25 0.00 0.00 0.00 179.25 179.97 1d8b n THR 62 N -3.67 0.00 0.63 0.00 -2.24 -0.80 -2.09 114.28 106.10 1d8b n THR 62 Ca -0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1d8b n THR 62 Cb 0.46 -0.52 0.07 0.00 -2.10 0.00 0.00 70.33 68.24 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 -0.99 2.11 -0.13 3.22 4.77 -0.87 -4.75 117.00 120.37 1d8b n LEU 63 Ca 0.22 -1.07 -0.00 0.00 -0.03 0.00 0.00 56.01 55.13 1d8b n LEU 63 Cb 0.10 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1d8b n LEU 63 CO 0.17 0.35 -0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1d8b n GLY 64 N 0.13 0.50 2.93 -0.72 0.00 -1.20 -4.39 105.19 102.43 1d8b n GLY 64 Ca 0.06 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.67-10.03 -2.04 2.61 -2.24 -0.89 -4.92 114.28 93.10 1d8b n THR 65 Ca -0.00 0.95 -0.41 0.00 -2.27 0.00 0.00 64.05 62.32 1d8b n THR 65 Cb 0.50 -6.60 -0.02 0.00 -2.10 0.00 0.00 70.33 62.11 1d8b n THR 65 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1d8b s VAL 66 N -2.23 2.63 0.53 2.28 -7.23 -1.26 -4.95 120.40 110.17 1d8b s VAL 66 Ca 0.22 0.59 -0.22 0.00 -1.81 0.00 0.00 61.98 60.76 1d8b s VAL 66 Cb -0.05 -3.38 -0.06 0.00 0.56 0.00 0.00 36.38 33.46 1d8b s VAL 66 CO 0.76 0.12 1.28 1.21 -0.31 0.00 0.00 175.10 178.17 1d8b n GLU 67 N 1.37 1.60 -0.16 4.82 0.00 -1.26 -4.77 120.64 122.24 1d8b n GLU 67 Ca 0.03 0.59 0.10 0.00 0.00 0.00 0.00 57.16 57.87 1d8b n GLU 67 Cb 0.41 -2.48 0.42 0.00 0.00 0.00 0.00 31.44 29.79 1d8b n GLU 67 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1d8b h ASP 68 N 1.38 0.54 0.45 4.31 1.82 -1.99 0.11 116.42 123.04 1d8b h ASP 68 Ca -0.50 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.11 1d8b h ASP 68 Cb 1.31 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 1d8b h ASP 68 CO 0.56 0.32 -0.22 0.07 -1.61 0.00 0.00 179.24 178.37 1d8b h LYS 69 N 0.60 0.00 0.07 0.28 2.10 -2.01 -1.66 116.57 115.95 1d8b h LYS 69 Ca 0.33 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.71 1d8b h LYS 69 Cb 0.48 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 1d8b h LYS 69 CO -0.11 0.22 -1.33 1.88 -2.00 0.00 0.00 179.45 178.10 1d8b h TYR 70 N 0.00 0.26 -0.20 0.07 0.05 -1.18 -3.30 116.97 112.67 1d8b h TYR 70 Ca -0.00 -0.19 -0.11 0.00 0.05 0.00 0.00 58.73 58.48 1d8b h TYR 70 Cb 0.50 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 1d8b h TYR 70 CO 0.00 1.19 -0.35 0.00 -1.05 0.00 0.00 178.16 177.96 1d8b h ARG 71 N 0.04 0.42 0.32 4.88 3.08 -0.78 -1.84 114.38 120.50 1d8b h ARG 71 Ca -0.16 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1d8b h ARG 71 Cb 1.93 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.96 1d8b h ARG 71 CO 0.15 0.71 -0.22 0.00 -1.07 0.00 0.00 179.97 179.54 1d8b h ARG 72 N 0.36 -0.51 -0.01 0.04 -0.00 -1.40 -2.21 114.38 110.65 1d8b h ARG 72 Ca 0.04 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.56 1d8b h ARG 72 Cb 0.78 0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.87 1d8b h ARG 72 CO 0.06 -0.34 -0.02 2.89 0.00 0.00 0.00 179.97 182.56 1d8b n ARG 73 N -5.35 1.32 -0.11 0.04 0.00 -1.23 -3.86 116.66 107.47 1d8b n ARG 73 Ca -0.10 -0.54 0.07 0.00 -0.00 0.00 0.00 57.85 57.28 1d8b n ARG 73 Cb 0.26 -1.49 0.40 0.00 -0.00 0.00 0.00 32.46 31.63 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 1.31 0.62 -0.25 2.89 3.04 -0.67 -2.15 116.94 121.73 1d8b h PHE 74 Ca 0.00 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.04 1d8b h PHE 74 Cb 0.31 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1d8b h PHE 74 CO 0.00 0.34 0.34 1.57 -2.02 0.00 0.00 178.31 178.55 1d8b h LYS 75 N 0.63 0.00 0.00 1.11 2.10 -1.67 0.20 116.57 118.93 1d8b h LYS 75 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1d8b h LYS 75 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1d8b h LYS 75 CO -0.07 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.04 1d8b n TYR 76 N -3.55 0.06 0.49 0.07 4.01 -0.81 -2.50 117.16 114.93 1d8b n TYR 76 Ca 0.04 0.02 0.07 0.00 -0.16 0.00 0.00 57.90 57.87 1d8b n TYR 76 Cb 0.48 -0.53 -0.09 0.00 -0.31 0.00 0.00 39.34 38.88 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 -1.55 0.00 0.01 -0.72 3.72 0.68 -4.50 117.46 115.09 1d8b n PHE 77 Ca 0.05 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.54 1d8b n PHE 77 Cb 0.24 -0.10 0.52 0.00 -0.94 0.00 0.00 39.48 39.19 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 0.34 -0.11 -1.08 1.57 -1.37 0.31 116.57 116.23 1d8b h LYS 78 Ca 0.00 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1d8b h LYS 78 Cb 0.46 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1d8b h LYS 78 CO 0.00 0.22 -0.39 0.00 -0.57 0.00 0.00 179.45 178.72 1d8b h ALA 79 N 1.77 1.14 0.08 3.86 0.00 -1.79 -1.68 119.26 122.64 1d8b h ALA 79 Ca 0.19 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1d8b h ALA 79 Cb 0.30 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1d8b h ALA 79 CO -0.04 0.57 -0.72 1.15 0.00 0.00 0.00 179.25 180.21 1d8b h THR 80 N 0.21 1.46 -0.73 0.00 2.02 -1.36 -3.12 112.91 111.39 1d8b h THR 80 Ca 0.02 -2.42 0.04 0.00 0.77 0.00 0.00 66.41 64.82 1d8b h THR 80 Cb 0.78 3.08 -0.05 0.00 -1.74 0.00 0.00 68.15 70.22 1d8b h THR 80 CO 0.06 0.64 0.45 0.40 0.37 0.00 0.00 175.52 177.45 1d8b h ILE 81 N -0.61 1.08 -0.01 3.11 2.04 -0.47 0.15 117.51 122.80 1d8b h ILE 81 Ca -0.15 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1d8b h ILE 81 Cb 1.44 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1d8b h ILE 81 CO 0.05 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.37 1d8b h ALA 82 N 1.32 0.01 -0.45 1.87 0.00 -1.44 -0.01 119.26 120.56 1d8b h ALA 82 Ca 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1d8b h ALA 82 Cb 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1d8b h ALA 82 CO -0.12 -0.46 0.14 0.22 0.00 0.00 0.00 179.25 179.02 1d8b h ASP 83 N -0.05 0.66 0.33 0.00 3.58 -1.40 0.01 116.42 119.56 1d8b h ASP 83 Ca 0.00 -0.21 -0.08 0.00 0.42 0.00 0.00 57.03 57.16 1d8b h ASP 83 Cb 0.06 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1d8b h ASP 83 CO -0.00 0.70 -0.36 -0.07 -2.88 0.00 0.00 179.24 176.62 1d8b h LEU 84 N 0.59 0.05 -0.06 2.28 3.38 -0.62 0.78 115.31 121.71 1d8b h LEU 84 Ca 0.14 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 1d8b h LEU 84 Cb 0.28 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1d8b h LEU 84 CO -0.00 0.42 -0.99 -1.28 0.09 0.00 0.00 178.44 176.67 1d8b h SER 85 N 0.05 0.07 -0.07 -0.43 0.87 -0.74 -1.52 113.55 111.78 1d8b h SER 85 Ca 0.00 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.41 1d8b h SER 85 Cb 0.67 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1d8b h SER 85 CO 0.05 1.02 -0.30 0.11 -0.53 0.00 0.00 176.83 177.18 1d8b h LYS 86 N 0.02 0.32 0.00 2.24 1.57 -0.62 -3.19 116.57 116.90 1d8b h LYS 86 Ca -0.03 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 1d8b h LYS 86 Cb 1.73 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.08 1d8b h LYS 86 CO 0.14 0.89 -0.28 0.87 -0.57 0.00 0.00 179.45 180.50 1d8b h LYS 87 N -0.18 0.00 -0.15 3.15 1.79 -0.92 -3.24 116.57 117.03 1d8b h LYS 87 Ca -0.02 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1d8b h LYS 87 Cb 0.94 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.55 1d8b h LYS 87 CO 0.06 0.28 -0.10 -0.09 -1.08 0.00 0.00 179.45 178.53 1d8b h ARG 88 N 0.00 -0.09 -0.80 3.15 2.43 -1.25 -1.31 114.38 116.50 1d8b h ARG 88 Ca -0.00 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1d8b h ARG 88 Cb 0.81 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1d8b h ARG 88 CO 0.04 -0.06 0.00 0.43 -1.51 0.00 0.00 179.97 178.87 1d8b n SER 89 N -5.24 3.31 -2.80 -3.80 7.64 -1.22 -3.84 113.62 107.66 1d8b n SER 89 Ca -0.03 -2.46 -0.00 0.00 1.01 0.00 0.00 58.87 57.39 1d8b n SER 89 Cb 0.16 -0.59 0.06 0.00 -1.01 0.00 0.00 64.21 62.84 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 0.30 1.00 -0.31 6.43 7.64 -0.53 -5.12 113.62 123.03 1d8b n SER 90 Ca 0.14 -2.06 0.04 0.00 1.01 0.00 0.00 58.87 58.00 1d8b n SER 90 Cb 0.72 -0.26 0.03 0.00 -1.01 0.00 0.00 64.21 63.69 1d8b n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41