#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 6.63 -1.67 4.31 4.77 -1.26 -4.58 117.00 125.21 1d8b n LEU 12 Ca 0.00 -3.65 -0.10 0.00 -0.03 0.00 0.00 56.01 52.22 1d8b n LEU 12 Cb 0.00 -1.10 0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1d8b n LEU 12 CO 0.00 1.40 1.04 -3.20 -1.33 0.00 0.00 177.39 175.31 1d8b n ASN 13 N 0.34 5.35 -0.10 -1.43 5.15 -1.26 -4.43 115.26 118.88 1d8b n ASN 13 Ca 0.39 -2.77 -0.12 0.00 -0.60 0.00 0.00 54.58 51.49 1d8b n ASN 13 Cb 0.57 -0.95 -0.04 0.00 -0.53 0.00 0.00 39.78 38.83 1d8b n ASN 13 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1d8b h ASN 14 N 1.06 0.58 -0.90 1.20 7.08 -1.99 -2.25 115.58 120.35 1d8b h ASN 14 Ca 0.20 -0.38 -0.01 0.00 -3.08 0.00 0.00 56.30 53.03 1d8b h ASN 14 Cb 1.12 -0.16 -0.04 0.00 -2.08 0.00 0.00 38.32 37.16 1d8b h ASN 14 CO 0.48 0.82 0.51 0.25 -2.08 0.00 0.00 177.43 177.41 1d8b h LEU 15 N 0.33 1.11 -0.63 6.14 6.46 -1.93 0.17 115.31 126.96 1d8b h LEU 15 Ca 0.07 -0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.63 1d8b h LEU 15 Cb 0.58 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 1d8b h LEU 15 CO 0.03 0.88 -0.11 -0.09 -0.62 0.00 0.00 178.44 178.53 1d8b h ARG 16 N 1.25 0.97 -0.24 1.25 2.43 -1.90 -2.09 114.38 116.05 1d8b h ARG 16 Ca 0.32 -0.35 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1d8b h ARG 16 Cb 0.00 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1d8b h ARG 16 CO -0.05 1.02 -0.12 1.98 -1.51 0.00 0.00 179.97 181.29 1d8b h MET 17 N 0.86 0.39 0.28 0.20 4.05 -0.75 -0.08 114.93 119.88 1d8b h MET 17 Ca 0.14 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1d8b h MET 17 Cb 0.66 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 1d8b h MET 17 CO 0.05 0.51 -0.14 1.15 0.23 0.00 0.00 176.91 178.71 1d8b h THR 18 N 0.36 0.75 -0.69 -0.77 2.02 -0.17 0.11 112.91 114.53 1d8b h THR 18 Ca 0.07 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1d8b h THR 18 Cb 0.43 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1d8b h THR 18 CO 0.02 0.06 0.28 0.22 0.37 0.00 0.00 175.52 176.48 1d8b h TYR 19 N -0.54 1.04 -0.69 3.16 3.20 -1.19 -1.61 116.97 120.34 1d8b h TYR 19 Ca -0.04 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.69 1d8b h TYR 19 Cb 0.40 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1d8b h TYR 19 CO -0.02 0.80 0.17 0.93 -1.64 0.00 0.00 178.16 178.40 1d8b h GLU 20 N 0.97 1.09 -0.19 1.82 5.08 -0.93 0.19 114.58 122.62 1d8b h GLU 20 Ca 0.23 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1d8b h GLU 20 Cb 0.20 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1d8b h GLU 20 CO -0.02 0.96 -0.41 -0.09 -1.00 0.00 0.00 179.01 178.45 1d8b h ARG 21 N 1.03 0.43 -0.11 2.33 9.65 -0.52 -0.15 114.38 127.05 1d8b h ARG 21 Ca 0.22 -0.21 -0.16 0.00 -1.10 0.00 0.00 59.98 58.72 1d8b h ARG 21 Cb 0.36 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1d8b h ARG 21 CO 0.00 0.77 -0.61 -0.07 2.80 0.00 0.00 179.97 182.86 1d8b h LEU 22 N 0.36 0.43 -0.40 3.80 3.38 -0.97 -0.57 115.31 121.34 1d8b h LEU 22 Ca 0.03 -0.25 -0.18 0.00 0.09 0.00 0.00 57.88 57.57 1d8b h LEU 22 Cb 0.87 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1d8b h LEU 22 CO 0.07 0.94 -0.67 -0.09 0.09 0.00 0.00 178.44 178.78 1d8b h ARG 23 N 0.28 0.54 -0.34 1.13 2.43 -0.68 0.96 114.38 118.71 1d8b h ARG 23 Ca -0.01 -0.40 -0.14 0.00 -0.81 0.00 0.00 59.98 58.63 1d8b h ARG 23 Cb 1.14 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1d8b h ARG 23 CO 0.10 1.02 -0.34 1.49 -1.51 0.00 0.00 179.97 180.74 1d8b h GLU 24 N 0.39 0.75 -0.33 0.20 4.57 -0.89 -1.14 114.58 118.13 1d8b h GLU 24 Ca -0.02 -0.36 -0.14 0.00 -1.18 0.00 0.00 59.36 57.66 1d8b h GLU 24 Cb 1.25 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1d8b h GLU 24 CO 0.12 0.98 -0.34 1.25 -1.18 0.00 0.00 179.01 179.84 1d8b h LEU 25 N 0.63 0.79 -1.01 1.64 6.46 -0.97 -2.22 115.31 120.64 1d8b h LEU 25 Ca 0.06 -0.34 -0.06 0.00 -0.12 0.00 0.00 57.88 57.42 1d8b h LEU 25 Cb 0.88 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 1d8b h LEU 25 CO 0.08 1.06 0.01 0.28 -0.62 0.00 0.00 178.44 179.25 1d8b h SER 26 N 0.63 0.69 0.67 1.25 0.02 -0.47 0.20 113.55 116.54 1d8b h SER 26 Ca 0.06 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.71 1d8b h SER 26 Cb 0.88 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1d8b h SER 26 CO 0.08 0.75 -0.72 -0.07 -1.14 0.00 0.00 176.83 175.73 1d8b h LEU 27 N 0.68 0.05 0.11 5.07 4.07 -1.04 -0.97 115.31 123.28 1d8b h LEU 27 Ca 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1d8b h LEU 27 Cb 0.41 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1d8b h LEU 27 CO 0.02 0.75 -0.05 -1.13 -1.08 0.00 0.00 178.44 176.94 1d8b h ASN 28 N 0.03 -0.13 -0.22 -0.43 -1.24 -0.91 -3.10 115.58 109.58 1d8b h ASN 28 Ca -0.01 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 56.94 1d8b h ASN 28 Cb 1.27 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 40.33 1d8b h ASN 28 CO 0.10 0.37 0.06 -0.07 -1.29 0.00 0.00 177.43 176.59 1d8b h LEU 29 N -1.04 0.40 -0.46 0.34 3.38 -0.73 -1.99 115.31 115.21 1d8b h LEU 29 Ca -0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1d8b h LEU 29 Cb 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1d8b h LEU 29 CO 0.03 0.42 0.19 1.23 0.09 0.00 0.00 178.44 180.40 1d8b h GLY 30 N 0.67 0.73 1.67 0.83 0.00 -1.30 -2.16 103.07 103.51 1d8b h GLY 30 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1d8b h GLY 30 CO -0.00 0.37 -0.22 -2.01 0.00 0.00 0.00 176.54 174.67 1d8b n ASN 31 N -4.60 0.59 -0.19 0.19 5.15 -1.12 -1.10 115.26 114.18 1d8b n ASN 31 Ca 0.01 0.35 0.13 0.00 -0.60 0.00 0.00 54.58 54.47 1d8b n ASN 31 Cb 0.14 -0.37 0.35 0.00 -0.53 0.00 0.00 39.78 39.37 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 -1.99 0.65 -3.71 1.20 0.63 -0.76 -4.85 116.66 107.82 1d8b n ARG 32 Ca 0.05 -0.38 -0.29 0.00 -0.92 0.00 0.00 57.85 56.31 1d8b n ARG 32 Cb 0.41 -1.49 -0.04 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 -2.62 3.54 -0.09 -0.14 1.75 -0.84 -5.04 119.30 115.86 1d8b s MET 33 Ca 0.21 -0.27 -0.01 0.00 -1.25 0.00 0.00 55.69 54.38 1d8b s MET 33 Cb 0.19 -2.87 0.03 0.00 2.84 0.00 0.00 34.83 35.02 1d8b s MET 33 CO 0.56 0.45 -0.04 0.08 -0.65 0.00 0.00 175.02 175.41 1d8b s VAL 34 N -1.76 0.75 0.48 10.11 1.01 -1.26 -1.54 120.40 128.19 1d8b s VAL 34 Ca 0.39 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.03 1d8b s VAL 34 Cb -0.12 -0.82 -0.07 0.00 0.00 0.00 0.00 36.38 35.37 1d8b s VAL 34 CO 0.27 0.32 1.17 -2.84 0.00 0.00 0.00 175.10 174.02 1d8b s PRO 35 N 1.75 3.64 0.17 2.72 0.02 -1.26 -5.08 135.00 136.96 1d8b s PRO 35 Ca 0.04 1.76 -0.34 0.00 0.02 0.00 0.00 61.00 62.48 1d8b s PRO 35 Cb -0.13 -2.31 -0.14 0.00 0.02 0.00 0.00 34.50 31.95 1d8b s PRO 35 CO -0.06 -0.65 1.59 -2.30 -0.33 0.00 0.00 177.00 175.24 1d8b n PRO 36 N -0.70 2.21 0.23 5.54 -0.02 -0.59 -4.88 135.00 136.80 1d8b n PRO 36 Ca 0.08 0.80 0.12 0.00 -2.02 0.00 0.00 63.50 62.49 1d8b n PRO 36 Cb 0.49 -2.57 0.36 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.62 0.18 0.00 -1.45 2.07 -1.33 -3.47 116.25 115.86 1d8b h VAL 37 Ca -0.45 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1d8b h VAL 37 Cb 1.25 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1d8b h VAL 37 CO 0.89 0.09 0.00 0.61 0.02 0.00 0.00 177.57 179.18 1d8b n GLY 38 N 0.65 1.84 2.88 2.17 0.00 -1.24 -4.23 105.19 107.24 1d8b n GLY 38 Ca 0.02 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1d8b n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1d8b n ASN 39 N 3.65 4.44 0.00 1.61 0.23 -1.26 -4.63 115.26 119.30 1d8b n ASN 39 Ca 0.00 -3.29 0.00 0.00 -0.53 0.00 0.00 54.58 50.76 1d8b n ASN 39 Cb 0.00 -0.96 0.00 0.00 -2.08 0.00 0.00 39.78 36.74 1d8b n ASN 39 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1d8b n PHE 40 N 1.66 0.00 -4.44 -2.53 7.35 -1.21 -3.90 117.46 114.39 1d8b n PHE 40 Ca 0.25 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.60 1d8b n PHE 40 Cb 0.37 -0.04 -0.11 0.00 0.35 0.00 0.00 39.48 40.04 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 -2.50 3.38 0.54 -4.13 1.75 -1.26 -5.04 119.30 112.04 1d8b s MET 41 Ca 0.00 -0.50 -0.22 0.00 -1.25 0.00 0.00 55.69 53.72 1d8b s MET 41 Cb 0.00 -2.83 -0.05 0.00 2.84 0.00 0.00 34.83 34.78 1d8b s MET 41 CO 0.00 0.41 1.29 -2.30 -0.65 0.00 0.00 175.02 173.77 1d8b n PRO 42 N 3.03 1.58 -0.34 4.11 -0.02 -1.25 -4.74 135.00 137.36 1d8b n PRO 42 Ca -0.18 0.58 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 1d8b n PRO 42 Cb 0.53 -2.49 0.35 0.00 -0.02 0.00 0.00 33.50 31.86 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 1.33 0.74 -0.24 2.55 3.58 -1.98 -0.04 116.42 122.35 1d8b h ASP 43 Ca -0.50 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.02 1d8b h ASP 43 Cb 1.31 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 1d8b h ASP 43 CO 0.56 0.26 0.09 0.77 -2.88 0.00 0.00 179.24 178.04 1d8b h SER 44 N 0.72 0.33 -0.44 2.28 4.64 -2.00 -2.12 113.55 116.96 1d8b h SER 44 Ca 0.57 -0.18 -0.11 0.00 -0.47 0.00 0.00 61.79 61.60 1d8b h SER 44 Cb 0.94 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1d8b h SER 44 CO -0.35 0.42 -0.14 0.40 -0.87 0.00 0.00 176.83 176.29 1d8b h ILE 45 N 0.22 1.27 -0.71 0.95 1.08 -1.62 -2.76 117.51 115.93 1d8b h ILE 45 Ca 0.08 -1.27 -0.01 0.00 -0.39 0.00 0.00 64.86 63.27 1d8b h ILE 45 Cb 0.20 1.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 1d8b h ILE 45 CO -0.01 0.44 0.42 -0.07 -0.69 0.00 0.00 178.15 178.25 1d8b h LEU 46 N 0.81 0.86 -0.15 1.44 3.38 -0.92 0.43 115.31 121.16 1d8b h LEU 46 Ca 0.12 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1d8b h LEU 46 Cb 0.68 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1d8b h LEU 46 CO 0.05 0.67 -0.12 0.11 0.09 0.00 0.00 178.44 179.24 1d8b h LYS 47 N 0.99 0.36 -0.40 1.13 1.57 -1.19 -1.16 116.57 117.86 1d8b h LYS 47 Ca 0.26 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 1d8b h LYS 47 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1d8b h LYS 47 CO -0.05 0.71 -0.35 1.57 -0.57 0.00 0.00 179.45 180.77 1d8b h LYS 48 N 0.00 0.94 -0.11 3.15 2.10 -1.32 -1.07 116.57 120.26 1d8b h LYS 48 Ca 0.03 -0.48 -0.06 0.00 -2.00 0.00 0.00 60.65 58.13 1d8b h LYS 48 Cb 0.63 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.96 1d8b h LYS 48 CO 0.03 1.14 -0.23 0.00 -2.00 0.00 0.00 179.45 178.39 1d8b h MET 49 N 0.77 0.19 0.08 0.07 -0.00 -0.94 0.73 114.93 115.82 1d8b h MET 49 Ca 0.07 -0.05 -0.26 0.00 -0.00 0.00 0.00 59.70 59.46 1d8b h MET 49 Cb 0.94 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.51 1d8b h MET 49 CO 0.09 0.41 -1.19 0.00 -0.00 0.00 0.00 176.91 176.22 1d8b h ALA 50 N 1.60 0.20 0.09 -3.00 0.00 -1.03 0.84 119.26 117.96 1d8b h ALA 50 Ca 0.03 -0.92 -0.20 0.00 0.00 0.00 0.00 54.91 53.82 1d8b h ALA 50 Cb 0.50 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.29 1d8b h ALA 50 CO 0.03 1.09 -0.82 0.00 0.00 0.00 0.00 179.25 179.56 1d8b h ALA 51 N 0.72 -0.02 0.09 0.00 0.00 -0.91 -3.35 119.26 115.80 1d8b h ALA 51 Ca -0.10 -0.66 -0.29 0.00 0.00 0.00 0.00 54.91 53.85 1d8b h ALA 51 Cb 1.91 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1d8b h ALA 51 CO 0.17 0.42 -1.50 0.82 0.00 0.00 0.00 179.25 179.17 1d8b h ILE 52 N -0.15 1.17 -5.84 0.00 5.03 -0.99 -3.49 117.51 113.23 1d8b h ILE 52 Ca -0.13 -2.85 -0.17 0.00 -0.12 0.00 0.00 64.86 61.60 1d8b h ILE 52 Cb 1.57 2.73 0.00 0.00 -3.03 0.00 0.00 36.82 38.09 1d8b h ILE 52 CO 0.16 0.80 -0.47 0.18 -0.68 0.00 0.00 178.15 178.13 1d8b n LEU 53 N -3.40 -5.23 -4.58 1.44 4.77 0.29 -4.86 117.00 105.43 1d8b n LEU 53 Ca -0.15 -0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.16 1d8b n LEU 53 Cb 1.03 -2.72 -0.03 0.00 -2.33 0.00 0.00 43.42 39.38 1d8b n LEU 53 CO 0.49 -0.78 1.38 -2.84 -1.33 0.00 0.00 177.39 174.31 1d8b s PRO 54 N -3.47 3.27 0.10 3.23 0.02 -1.26 -4.85 135.00 132.05 1d8b s PRO 54 Ca 0.06 0.85 0.10 0.00 0.02 0.00 0.00 61.00 62.03 1d8b s PRO 54 Cb -0.01 -4.16 -0.18 0.00 0.02 0.00 0.00 34.50 30.17 1d8b s PRO 54 CO 0.80 -1.95 1.14 0.52 -0.33 0.00 0.00 177.00 177.19 1d8b h MET 55 N 12.06 0.00 -5.65 5.54 2.86 -1.91 -3.45 114.93 124.38 1d8b h MET 55 Ca -0.29 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 56.74 1d8b h MET 55 Cb 1.13 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.65 1d8b h MET 55 CO 1.12 0.79 -0.61 1.21 1.06 0.00 0.00 176.91 180.48 1d8b s ASN 56 N -6.49 3.72 0.40 1.22 3.84 -1.26 -4.95 114.94 111.42 1d8b s ASN 56 Ca -0.00 -1.35 0.16 0.00 0.21 0.00 0.00 52.86 51.88 1d8b s ASN 56 Cb 0.09 -0.37 0.85 0.00 -0.55 0.00 0.00 41.25 41.28 1d8b s ASN 56 CO 0.81 -0.44 1.87 0.44 -2.79 0.00 0.00 177.10 176.99 1d8b h ASP 57 N 1.83 0.00 -0.07 -4.21 5.19 -2.00 -2.09 116.42 115.07 1d8b h ASP 57 Ca -0.43 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 55.86 1d8b h ASP 57 Cb 1.24 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1d8b h ASP 57 CO 0.79 0.32 -0.33 0.77 -3.12 0.00 0.00 179.24 177.66 1d8b h SER 58 N 0.00 0.58 0.80 6.45 4.64 -1.99 -2.55 113.55 121.48 1d8b h SER 58 Ca -0.00 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 61.01 1d8b h SER 58 Cb 0.60 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1d8b h SER 58 CO 0.04 0.87 -0.38 0.00 -0.87 0.00 0.00 176.83 176.49 1d8b h ALA 59 N 1.17 1.02 0.00 5.18 0.00 -1.78 -2.88 119.26 121.96 1d8b h ALA 59 Ca 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1d8b h ALA 59 Cb 0.80 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1d8b h ALA 59 CO 0.07 0.48 -0.10 0.74 0.00 0.00 0.00 179.25 180.43 1d8b h PHE 60 N 0.00 0.00 0.00 0.00 0.04 -0.99 -2.21 116.94 113.78 1d8b h PHE 60 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1d8b h PHE 60 Cb 0.88 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 1d8b h PHE 60 CO 0.00 0.10 -0.11 0.00 -0.60 0.00 0.00 178.31 177.70 1d8b h ALA 61 N 1.90 1.40 0.00 2.45 0.00 -1.54 -1.27 119.26 122.20 1d8b h ALA 61 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1d8b h ALA 61 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1d8b h ALA 61 CO 0.01 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.66 1d8b n THR 62 N -3.80 0.00 0.28 0.00 -2.24 -0.83 -2.77 114.28 104.91 1d8b n THR 62 Ca -0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1d8b n THR 62 Cb 0.21 -0.48 0.16 0.00 -2.10 0.00 0.00 70.33 68.13 1d8b n THR 62 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1d8b h LEU 63 N 0.00 0.00 0.00 3.22 3.38 -1.38 -3.50 115.31 117.04 1d8b h LEU 63 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1d8b h LEU 63 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1d8b h LEU 63 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1d8b n GLY 64 N 1.17 1.50 2.68 0.83 0.00 -1.12 -4.93 105.19 105.33 1d8b n GLY 64 Ca 0.03 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 1d8b n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d8b s THR 65 N 0.00 -0.24 -0.21 2.61 -4.23 -1.26 -4.89 115.64 107.41 1d8b s THR 65 Ca 0.00 -0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 60.16 1d8b s THR 65 Cb 0.00 -0.76 -0.02 0.00 1.34 0.00 0.00 72.50 73.06 1d8b s THR 65 CO 0.00 -0.36 -0.02 0.68 -0.54 0.00 0.00 174.62 174.38 1d8b s VAL 66 N 2.25 3.71 1.00 2.29 -7.23 -1.26 -5.10 120.40 116.06 1d8b s VAL 66 Ca 0.07 -0.39 -0.12 0.00 -1.81 0.00 0.00 61.98 59.73 1d8b s VAL 66 Cb -0.16 -2.68 0.19 0.00 0.56 0.00 0.00 36.38 34.29 1d8b s VAL 66 CO -0.19 0.42 1.08 -1.61 -0.31 0.00 0.00 175.10 174.49 1d8b s GLU 67 N 1.24 0.42 0.32 4.82 8.01 -1.26 -4.70 118.70 127.54 1d8b s GLU 67 Ca 0.03 0.66 0.05 0.00 0.01 0.00 0.00 54.97 55.72 1d8b s GLU 67 Cb -0.15 -1.72 0.69 0.00 -4.31 0.00 0.00 34.13 28.64 1d8b s GLU 67 CO 0.00 -2.77 1.86 0.22 0.01 0.00 0.00 175.26 174.58 1d8b h ASP 68 N -1.93 0.78 0.23 -0.19 3.58 -1.99 0.14 116.42 117.05 1d8b h ASP 68 Ca -0.54 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 56.92 1d8b h ASP 68 Cb 1.32 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1d8b h ASP 68 CO 0.55 0.41 -0.14 0.07 -2.88 0.00 0.00 179.24 177.25 1d8b h LYS 69 N 0.84 0.00 0.18 0.28 2.10 -1.99 0.17 116.57 118.15 1d8b h LYS 69 Ca 0.46 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.80 1d8b h LYS 69 Cb 0.59 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.94 1d8b h LYS 69 CO -0.23 0.14 -1.45 1.88 -2.00 0.00 0.00 179.45 177.80 1d8b h TYR 70 N 0.00 0.71 -0.20 0.07 0.05 -1.10 -3.15 116.97 113.34 1d8b h TYR 70 Ca -0.00 -0.52 -0.13 0.00 0.05 0.00 0.00 58.73 58.13 1d8b h TYR 70 Cb 0.29 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 1d8b h TYR 70 CO 0.00 1.46 -0.42 0.00 -1.05 0.00 0.00 178.16 178.15 1d8b h ARG 71 N 0.11 0.47 -0.32 4.88 3.08 -0.68 -0.35 114.38 121.56 1d8b h ARG 71 Ca -0.23 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.53 1d8b h ARG 71 Cb 2.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.11 1d8b h ARG 71 CO 0.22 0.81 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.83 1d8b h ARG 72 N 0.39 0.50 -0.02 0.04 2.43 -0.75 -2.38 114.38 114.60 1d8b h ARG 72 Ca 0.03 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1d8b h ARG 72 Cb 0.90 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1d8b h ARG 72 CO 0.08 0.54 -0.39 2.89 -1.51 0.00 0.00 179.97 181.57 1d8b n ARG 73 N -4.28 1.33 0.01 0.20 0.00 -1.13 -4.18 116.66 108.62 1d8b n ARG 73 Ca 0.01 -1.08 -0.05 0.00 -0.00 0.00 0.00 57.85 56.73 1d8b n ARG 73 Cb 0.25 -1.48 0.16 0.00 -0.00 0.00 0.00 32.46 31.39 1d8b n ARG 73 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 1d8b h PHE 74 N 2.64 0.57 -0.03 2.89 0.04 -0.51 -2.69 116.94 119.85 1d8b h PHE 74 Ca 0.00 -0.14 0.01 0.00 2.80 0.00 0.00 57.97 60.64 1d8b h PHE 74 Cb 0.77 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 1d8b h PHE 74 CO 0.00 0.76 0.03 1.57 -0.60 0.00 0.00 178.31 180.07 1d8b h LYS 75 N 0.42 0.00 0.00 1.51 2.10 -1.72 0.26 116.57 119.15 1d8b h LYS 75 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1d8b h LYS 75 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1d8b h LYS 75 CO 0.06 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.17 1d8b n TYR 76 N -3.95 0.00 0.06 0.07 4.01 -1.01 -2.85 117.16 113.49 1d8b n TYR 76 Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.76 1d8b n TYR 76 Cb 0.12 -0.39 -0.07 0.00 -0.31 0.00 0.00 39.34 38.69 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 -1.39 0.00 0.03 -0.72 3.72 0.77 -4.65 117.46 115.22 1d8b n PHE 77 Ca 0.09 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.60 1d8b n PHE 77 Cb 0.24 -0.17 0.55 0.00 -0.94 0.00 0.00 39.48 39.16 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 0.26 -0.03 -1.08 1.57 -1.03 0.38 116.57 116.64 1d8b h LYS 78 Ca 0.00 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1d8b h LYS 78 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1d8b h LYS 78 CO 0.00 0.17 -0.62 0.00 -0.57 0.00 0.00 179.45 178.43 1d8b h ALA 79 N 1.78 0.92 0.12 3.86 0.00 -1.83 -2.64 119.26 121.48 1d8b h ALA 79 Ca 0.18 -0.56 -0.37 0.00 0.00 0.00 0.00 54.91 54.17 1d8b h ALA 79 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1d8b h ALA 79 CO -0.04 0.76 -2.01 2.41 0.00 0.00 0.00 179.25 180.37 1d8b n THR 80 N -3.83 1.78 -0.23 0.00 -1.04 -0.67 -3.49 114.28 106.79 1d8b n THR 80 Ca -0.02 -0.66 -0.05 0.00 -2.04 0.00 0.00 64.05 61.29 1d8b n THR 80 Cb 0.62 -1.73 0.06 0.00 -1.82 0.00 0.00 70.33 67.46 1d8b n THR 80 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1d8b h ILE 81 N 0.07 1.13 -0.26 12.58 2.04 -0.36 -0.12 117.51 132.59 1d8b h ILE 81 Ca -0.43 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.07 1d8b h ILE 81 Cb 2.03 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1d8b h ILE 81 CO 0.09 0.15 -0.16 0.00 0.00 0.00 0.00 178.15 178.23 1d8b h ALA 82 N 1.26 1.23 -0.32 1.87 0.00 -1.65 -1.64 119.26 120.01 1d8b h ALA 82 Ca 0.25 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1d8b h ALA 82 Cb -0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1d8b h ALA 82 CO -0.08 0.50 -0.44 0.22 0.00 0.00 0.00 179.25 179.46 1d8b h ASP 83 N 0.42 0.94 0.39 0.00 3.58 -1.42 -2.80 116.42 117.53 1d8b h ASP 83 Ca 0.07 -0.50 -0.12 0.00 0.42 0.00 0.00 57.03 56.91 1d8b h ASP 83 Cb 0.53 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1d8b h ASP 83 CO 0.03 1.25 -0.50 -0.07 -2.88 0.00 0.00 179.24 177.08 1d8b h LEU 84 N 0.65 0.14 -0.42 2.28 3.38 -0.81 -2.53 115.31 117.99 1d8b h LEU 84 Ca 0.04 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1d8b h LEU 84 Cb 1.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1d8b h LEU 84 CO 0.10 0.62 -0.71 0.77 0.09 0.00 0.00 178.44 179.32 1d8b h SER 85 N 0.11 0.49 -0.13 -0.43 4.64 -1.27 -0.88 113.55 116.08 1d8b h SER 85 Ca 0.00 -0.31 -0.18 0.00 -0.47 0.00 0.00 61.79 60.83 1d8b h SER 85 Cb 0.93 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1d8b h SER 85 CO 0.07 1.05 -0.58 0.11 -0.87 0.00 0.00 176.83 176.61 1d8b h LYS 86 N 0.29 0.73 0.00 4.77 1.57 -1.43 -2.76 116.57 119.74 1d8b h LYS 86 Ca -0.03 -0.48 -0.10 0.00 -1.87 0.00 0.00 60.65 58.17 1d8b h LYS 86 Cb 1.27 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1d8b h LYS 86 CO 0.12 1.10 -0.48 0.87 -0.57 0.00 0.00 179.45 180.50 1d8b h LYS 87 N 0.55 0.00 -0.00 3.15 1.79 -1.41 -2.79 116.57 117.86 1d8b h LYS 87 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1d8b h LYS 87 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1d8b h LYS 87 CO 0.12 0.48 -0.03 -2.13 -1.08 0.00 0.00 179.45 176.81 1d8b n ARG 88 N -3.57 0.34 0.04 3.15 0.63 -0.34 -2.85 116.66 114.06 1d8b n ARG 88 Ca -0.00 -0.02 0.12 0.00 -0.92 0.00 0.00 57.85 57.03 1d8b n ARG 88 Cb 0.57 -1.50 0.24 0.00 0.45 0.00 0.00 32.46 32.22 1d8b n ARG 88 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1d8b n SER 89 N -1.31 0.60 0.00 6.15 7.64 -1.05 -4.87 113.62 120.77 1d8b n SER 89 Ca 0.12 0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1d8b n SER 89 Cb 0.27 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1d8b n SER 89 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1d8b n SER 90 N -1.91 0.00 0.00 6.43 3.41 -1.13 -5.13 113.62 115.29 1d8b n SER 90 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1d8b n SER 90 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1d8b n SER 90 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26