#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 -0.15 -4.62 4.77 -1.26 -4.62 117.00 117.75 1d8b n LEU 12 Ca 0.00 -4.10 -0.01 0.00 -0.03 0.00 0.00 56.01 51.88 1d8b n LEU 12 Cb 0.00 -1.19 0.24 0.00 -2.33 0.00 0.00 43.42 40.14 1d8b n LEU 12 CO 0.00 1.68 1.10 -1.13 -1.33 0.00 0.00 177.39 177.71 1d8b h ASN 13 N 2.84 0.77 -0.10 -1.43 -0.73 -2.00 -1.94 115.58 112.99 1d8b h ASN 13 Ca 0.41 -0.08 -0.20 0.00 1.87 0.00 0.00 56.30 58.30 1d8b h ASN 13 Cb 0.65 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.05 1d8b h ASN 13 CO 0.95 0.66 -0.68 -1.13 -0.37 0.00 0.00 177.43 176.85 1d8b h ASN 14 N 0.85 0.84 -0.06 1.15 -0.73 -1.88 -2.94 115.58 112.81 1d8b h ASN 14 Ca 0.21 -0.51 -0.01 0.00 1.87 0.00 0.00 56.30 57.85 1d8b h ASN 14 Cb 0.10 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 1d8b h ASN 14 CO -0.03 1.29 0.01 0.25 -0.37 0.00 0.00 177.43 178.58 1d8b h LEU 15 N 0.52 0.14 -0.78 0.34 6.46 -1.82 -0.49 115.31 119.69 1d8b h LEU 15 Ca -0.02 -0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.64 1d8b h LEU 15 Cb 1.29 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.16 1d8b h LEU 15 CO 0.14 0.17 0.04 -0.09 -0.62 0.00 0.00 178.44 178.08 1d8b h ARG 16 N 0.16 0.96 -0.26 1.25 2.43 -1.19 0.03 114.38 117.76 1d8b h ARG 16 Ca 0.04 -0.27 -0.11 0.00 -0.81 0.00 0.00 59.98 58.83 1d8b h ARG 16 Cb 0.10 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1d8b h ARG 16 CO 0.00 0.92 -0.32 1.98 -1.51 0.00 0.00 179.97 181.05 1d8b h MET 17 N 0.89 0.55 -0.18 0.20 4.05 -1.02 0.39 114.93 119.81 1d8b h MET 17 Ca 0.17 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1d8b h MET 17 Cb 0.47 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1d8b h MET 17 CO 0.02 0.80 0.06 1.15 0.23 0.00 0.00 176.91 179.18 1d8b h THR 18 N 0.47 1.17 -0.40 -0.77 2.02 -0.61 1.00 112.91 115.79 1d8b h THR 18 Ca 0.06 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 1d8b h THR 18 Cb 0.78 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1d8b h THR 18 CO 0.06 0.17 0.05 0.22 0.37 0.00 0.00 175.52 176.39 1d8b h TYR 19 N 0.13 0.72 -0.70 3.16 3.20 -0.83 -1.99 116.97 120.66 1d8b h TYR 19 Ca 0.06 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 1d8b h TYR 19 Cb 0.20 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1d8b h TYR 19 CO -0.01 0.72 0.22 0.93 -1.64 0.00 0.00 178.16 178.39 1d8b h GLU 20 N 0.51 1.08 -0.07 1.82 4.39 -0.80 0.07 114.58 121.57 1d8b h GLU 20 Ca 0.12 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 1d8b h GLU 20 Cb 0.40 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1d8b h GLU 20 CO 0.01 0.92 -0.22 -0.09 -1.16 0.00 0.00 179.01 178.46 1d8b h ARG 21 N 1.04 0.12 -0.04 2.33 9.65 -0.65 0.12 114.38 126.94 1d8b h ARG 21 Ca 0.23 -0.03 -0.22 0.00 -1.10 0.00 0.00 59.98 58.86 1d8b h ARG 21 Cb 0.28 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1d8b h ARG 21 CO -0.01 0.34 -0.87 -0.07 2.80 0.00 0.00 179.97 182.16 1d8b h LEU 22 N 0.11 0.63 -0.14 3.80 3.38 -0.56 -1.58 115.31 120.95 1d8b h LEU 22 Ca 0.02 -0.47 -0.23 0.00 0.09 0.00 0.00 57.88 57.29 1d8b h LEU 22 Cb 0.46 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1d8b h LEU 22 CO 0.03 1.25 -0.81 -0.09 0.09 0.00 0.00 178.44 178.91 1d8b h ARG 23 N 0.31 0.79 -0.29 1.13 2.43 -0.48 0.24 114.38 118.51 1d8b h ARG 23 Ca -0.07 -0.67 -0.09 0.00 -0.81 0.00 0.00 59.98 58.34 1d8b h ARG 23 Cb 1.49 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.18 1d8b h ARG 23 CO 0.16 1.27 -0.22 1.49 -1.51 0.00 0.00 179.97 181.16 1d8b h GLU 24 N 0.53 0.54 -0.01 0.20 4.57 -0.82 0.07 114.58 119.66 1d8b h GLU 24 Ca -0.06 -0.20 -0.20 0.00 -1.18 0.00 0.00 59.36 57.72 1d8b h GLU 24 Cb 1.45 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 1d8b h GLU 24 CO 0.17 0.73 -0.86 1.25 -1.18 0.00 0.00 179.01 179.11 1d8b h LEU 25 N 0.48 0.33 -0.51 1.64 6.46 -1.20 -1.74 115.31 120.77 1d8b h LEU 25 Ca 0.07 -0.26 -0.14 0.00 -0.12 0.00 0.00 57.88 57.44 1d8b h LEU 25 Cb 0.64 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 1d8b h LEU 25 CO 0.05 1.04 -0.30 0.28 -0.62 0.00 0.00 178.44 178.89 1d8b h SER 26 N 0.15 0.93 0.77 1.25 0.02 -0.04 0.24 113.55 116.87 1d8b h SER 26 Ca -0.05 -0.38 -0.18 0.00 -0.84 0.00 0.00 61.79 60.34 1d8b h SER 26 Cb 1.48 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 1d8b h SER 26 CO 0.14 1.15 -0.86 -0.07 -1.14 0.00 0.00 176.83 176.05 1d8b h LEU 27 N 0.75 0.07 0.19 5.07 4.07 -1.00 -1.57 115.31 122.90 1d8b h LEU 27 Ca 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1d8b h LEU 27 Cb 0.87 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1d8b h LEU 27 CO 0.08 0.89 -0.09 -1.13 -1.08 0.00 0.00 178.44 177.11 1d8b h ASN 28 N 0.03 -0.22 -0.77 -0.43 -0.73 -1.16 -2.37 115.58 109.91 1d8b h ASN 28 Ca -0.02 -0.18 -0.01 0.00 1.87 0.00 0.00 56.30 57.96 1d8b h ASN 28 Cb 1.50 0.06 -0.04 0.00 0.27 0.00 0.00 38.32 40.11 1d8b h ASN 28 CO 0.12 0.31 0.45 -0.07 -0.37 0.00 0.00 177.43 177.86 1d8b h LEU 29 N -1.00 0.96 -0.20 0.34 3.38 -0.64 0.79 115.31 118.93 1d8b h LEU 29 Ca -0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1d8b h LEU 29 Cb 0.39 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1d8b h LEU 29 CO 0.04 0.75 0.07 1.23 0.09 0.00 0.00 178.44 180.63 1d8b h GLY 30 N 1.12 0.33 2.00 0.83 0.00 -1.39 -1.19 103.07 104.77 1d8b h GLY 30 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1d8b h GLY 30 CO -0.05 0.18 0.00 -2.01 0.00 0.00 0.00 176.54 174.66 1d8b n ASN 31 N -4.81 0.27 -0.39 0.19 5.15 -0.89 -0.52 115.26 114.26 1d8b n ASN 31 Ca -0.04 0.56 0.13 0.00 -0.60 0.00 0.00 54.58 54.63 1d8b n ASN 31 Cb 0.14 -0.62 0.34 0.00 -0.53 0.00 0.00 39.78 39.11 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 -1.80 1.20 -3.60 1.20 0.63 0.24 -4.79 116.66 109.73 1d8b n ARG 32 Ca 0.03 -0.78 -0.20 0.00 -0.92 0.00 0.00 57.85 55.98 1d8b n ARG 32 Cb 0.20 -1.48 -0.02 0.00 0.45 0.00 0.00 32.46 31.61 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 -2.34 2.93 -0.19 -0.14 -1.94 -0.40 -5.03 119.30 112.19 1d8b s MET 33 Ca 0.27 -1.15 -0.01 0.00 -1.71 0.00 0.00 55.69 53.09 1d8b s MET 33 Cb 0.20 -2.66 0.05 0.00 2.01 0.00 0.00 34.83 34.43 1d8b s MET 33 CO 0.47 0.06 -0.01 0.08 -0.01 0.00 0.00 175.02 175.61 1d8b s VAL 34 N -2.24 0.88 0.58 -6.03 1.01 -1.26 -1.70 120.40 111.63 1d8b s VAL 34 Ca 0.44 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1d8b s VAL 34 Cb -0.08 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1d8b s VAL 34 CO 0.29 -0.08 1.03 -2.16 0.00 0.00 0.00 175.10 174.17 1d8b s PRO 35 N 1.71 3.55 0.17 2.72 0.04 -1.26 -5.08 135.00 136.84 1d8b s PRO 35 Ca -0.01 1.05 -0.33 0.00 0.04 0.00 0.00 61.00 61.74 1d8b s PRO 35 Cb -0.17 -2.07 -0.13 0.00 0.04 0.00 0.00 34.50 32.17 1d8b s PRO 35 CO -0.07 -0.61 1.65 -0.35 0.04 0.00 0.00 177.00 177.65 1d8b n PRO 36 N -2.02 2.41 -3.32 0.56 -0.04 -0.69 -4.95 135.00 126.96 1d8b n PRO 36 Ca 0.08 0.87 -0.44 0.00 -0.04 0.00 0.00 63.50 63.96 1d8b n PRO 36 Cb 0.53 -2.68 -0.07 0.00 -0.04 0.00 0.00 33.50 31.25 1d8b n PRO 36 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1d8b s VAL 37 N 1.15 5.14 0.26 0.52 1.01 0.32 -4.86 120.40 123.93 1d8b s VAL 37 Ca 0.78 -0.96 0.20 0.00 0.00 0.00 0.00 61.98 61.99 1d8b s VAL 37 Cb -0.61 -4.20 0.17 0.00 0.00 0.00 0.00 36.38 31.75 1d8b s VAL 37 CO 0.36 -0.67 1.84 1.23 0.00 0.00 0.00 175.10 177.85 1d8b h GLY 38 N 9.03 0.00 -4.66 4.51 0.00 -1.90 -3.04 103.07 107.00 1d8b h GLY 38 Ca -0.28 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.39 1d8b h GLY 38 CO 0.92 0.00 -0.03 1.16 0.00 0.00 0.00 176.54 178.59 1d8b n ASN 39 N -3.64 5.83 -0.31 0.19 0.23 -1.26 -4.81 115.26 111.49 1d8b n ASN 39 Ca -0.01 -3.77 0.01 0.00 -0.53 0.00 0.00 54.58 50.29 1d8b n ASN 39 Cb 0.42 -0.69 0.08 0.00 -2.08 0.00 0.00 39.78 37.51 1d8b n ASN 39 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1d8b h PHE 40 N 2.71 -0.70 -3.29 -2.53 3.57 -1.73 -3.36 116.94 111.61 1d8b h PHE 40 Ca 0.41 0.09 -0.42 0.00 3.53 0.00 0.00 57.97 61.57 1d8b h PHE 40 Cb 0.60 0.44 -0.38 0.00 2.79 0.00 0.00 35.95 39.40 1d8b h PHE 40 CO 0.97 -0.39 -0.76 1.41 -2.23 0.00 0.00 178.31 177.31 1d8b s MET 41 N -6.13 0.50 0.52 1.11 1.75 -1.26 -5.05 119.30 110.74 1d8b s MET 41 Ca -0.14 0.13 -0.22 0.00 -1.25 0.00 0.00 55.69 54.21 1d8b s MET 41 Cb 0.22 -0.86 -0.07 0.00 2.84 0.00 0.00 34.83 36.96 1d8b s MET 41 CO 0.74 -0.28 1.16 -2.30 -0.65 0.00 0.00 175.02 173.69 1d8b n PRO 42 N 5.03 1.43 -0.35 4.11 -0.02 -1.26 -4.68 135.00 139.26 1d8b n PRO 42 Ca -0.09 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1d8b n PRO 42 Cb 0.50 -2.31 0.30 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.29 0.82 -0.63 2.55 3.58 -1.98 0.21 116.42 122.25 1d8b h ASP 43 Ca -0.48 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.02 1d8b h ASP 43 Cb 1.33 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.28 1d8b h ASP 43 CO 0.56 0.33 0.27 0.77 -2.88 0.00 0.00 179.24 178.29 1d8b h SER 44 N 0.82 0.85 0.06 2.28 4.64 -2.00 -1.67 113.55 118.54 1d8b h SER 44 Ca 0.56 -0.15 -0.19 0.00 -0.47 0.00 0.00 61.79 61.53 1d8b h SER 44 Cb 0.80 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1d8b h SER 44 CO -0.35 0.77 -0.71 0.40 -0.87 0.00 0.00 176.83 176.07 1d8b h ILE 45 N 0.88 1.33 -0.73 0.95 1.08 -1.43 -2.87 117.51 116.73 1d8b h ILE 45 Ca 0.21 -2.02 -0.02 0.00 -0.39 0.00 0.00 64.86 62.65 1d8b h ILE 45 Cb 0.17 2.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 1d8b h ILE 45 CO -0.02 0.62 0.38 -0.07 -0.69 0.00 0.00 178.15 178.37 1d8b h LEU 46 N 0.41 0.91 -0.10 1.44 3.38 -0.45 -0.85 115.31 120.05 1d8b h LEU 46 Ca -0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1d8b h LEU 46 Cb 1.30 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1d8b h LEU 46 CO 0.13 0.75 -0.07 0.11 0.09 0.00 0.00 178.44 179.46 1d8b h LYS 47 N 1.02 0.22 -0.42 1.13 1.57 -1.25 -1.49 116.57 117.34 1d8b h LYS 47 Ca 0.26 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 1d8b h LYS 47 Cb 0.05 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1d8b h LYS 47 CO -0.04 0.60 -0.18 1.57 -0.57 0.00 0.00 179.45 180.84 1d8b h LYS 48 N -0.16 0.87 -0.00 3.15 2.10 -1.38 -1.42 116.57 119.72 1d8b h LYS 48 Ca 0.02 -0.37 -0.06 0.00 -2.00 0.00 0.00 60.65 58.24 1d8b h LYS 48 Cb 0.55 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 1d8b h LYS 48 CO 0.02 1.01 -0.29 0.00 -2.00 0.00 0.00 179.45 178.18 1d8b h MET 49 N 0.69 0.00 0.00 0.07 -0.00 -1.21 -0.08 114.93 114.40 1d8b h MET 49 Ca 0.10 -0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.61 1d8b h MET 49 Cb 0.73 -0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.31 1d8b h MET 49 CO 0.06 0.30 -0.88 0.00 -0.00 0.00 0.00 176.91 176.38 1d8b h ALA 50 N 1.70 0.48 0.11 -3.00 0.00 -1.01 0.11 119.26 117.66 1d8b h ALA 50 Ca -0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 54.91 53.95 1d8b h ALA 50 Cb 0.52 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.19 1d8b h ALA 50 CO 0.04 1.10 -0.70 0.00 0.00 0.00 0.00 179.25 179.68 1d8b h ALA 51 N 1.12 -0.06 0.15 0.00 0.00 -0.77 -3.36 119.26 116.34 1d8b h ALA 51 Ca -0.01 -0.69 -0.30 0.00 0.00 0.00 0.00 54.91 53.91 1d8b h ALA 51 Cb 1.62 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.52 1d8b h ALA 51 CO 0.11 0.34 -1.43 0.82 0.00 0.00 0.00 179.25 179.09 1d8b h ILE 52 N -0.49 1.30 -5.75 0.00 5.03 -1.15 -3.49 117.51 112.96 1d8b h ILE 52 Ca -0.13 -2.87 -0.16 0.00 -0.12 0.00 0.00 64.86 61.59 1d8b h ILE 52 Cb 1.53 2.89 0.02 0.00 -3.03 0.00 0.00 36.82 38.23 1d8b h ILE 52 CO 0.12 0.85 -0.38 0.18 -0.68 0.00 0.00 178.15 178.24 1d8b n LEU 53 N -3.54 -5.33 -4.57 1.44 4.77 0.03 -4.91 117.00 104.88 1d8b n LEU 53 Ca -0.14 -0.39 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 1d8b n LEU 53 Cb 1.05 -2.86 -0.03 0.00 -2.33 0.00 0.00 43.42 39.25 1d8b n LEU 53 CO 0.54 -0.59 1.05 -2.16 -1.33 0.00 0.00 177.39 174.90 1d8b s PRO 54 N -3.75 3.46 0.25 3.23 0.05 -1.26 -4.84 135.00 132.14 1d8b s PRO 54 Ca 0.07 0.14 0.23 0.00 0.05 0.00 0.00 61.00 61.49 1d8b s PRO 54 Cb -0.02 -4.04 0.96 0.00 0.05 0.00 0.00 34.50 31.46 1d8b s PRO 54 CO 0.79 -1.71 1.70 0.00 0.05 0.00 0.00 177.00 177.83 1d8b n MET 55 N 8.42 0.19 -1.97 4.56 0.00 -1.26 -4.70 117.12 122.36 1d8b n MET 55 Ca 0.07 0.41 -0.03 0.00 0.00 0.00 0.00 57.70 58.15 1d8b n MET 55 Cb 0.49 -1.85 0.00 0.00 0.00 0.00 0.00 33.22 31.86 1d8b n MET 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1d8b n ASN 56 N -2.20 -0.54 -3.18 3.17 2.85 -1.26 -4.64 115.26 109.46 1d8b n ASN 56 Ca 0.02 -1.48 -0.19 0.00 -0.11 0.00 0.00 54.58 52.81 1d8b n ASN 56 Cb 0.23 0.94 0.17 0.00 1.24 0.00 0.00 39.78 42.35 1d8b n ASN 56 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1d8b n ASP 57 N -1.48 -2.02 0.00 1.20 -0.08 -1.26 -3.60 116.55 109.31 1d8b n ASP 57 Ca -0.01 -0.87 0.00 0.00 -1.51 0.00 0.00 54.79 52.40 1d8b n ASP 57 Cb 0.17 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 42.98 1d8b n ASP 57 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1d8b n SER 58 N -4.32 0.00 0.12 1.67 7.64 -1.26 -4.18 113.62 113.29 1d8b n SER 58 Ca 0.10 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.96 1d8b n SER 58 Cb 0.38 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.70 1d8b n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d8b h ALA 59 N 0.00 0.84 -0.43 -0.43 0.00 -1.98 -3.12 119.26 114.15 1d8b h ALA 59 Ca 0.00 -0.62 0.12 0.00 0.00 0.00 0.00 54.91 54.42 1d8b h ALA 59 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1d8b h ALA 59 CO 0.00 0.85 0.45 0.74 0.00 0.00 0.00 179.25 181.28 1d8b h PHE 60 N 0.00 0.00 0.00 0.00 0.04 -1.72 -0.13 116.94 115.12 1d8b h PHE 60 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1d8b h PHE 60 Cb 1.23 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.38 1d8b h PHE 60 CO 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 178.31 177.69 1d8b h ALA 61 N 1.51 1.28 0.00 2.45 0.00 -1.88 -1.21 119.26 121.41 1d8b h ALA 61 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1d8b h ALA 61 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1d8b h ALA 61 CO -0.00 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.52 1d8b n THR 62 N -3.51 0.74 0.89 0.00 -2.24 -0.06 -2.32 114.28 107.78 1d8b n THR 62 Ca -0.03 0.15 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1d8b n THR 62 Cb 0.11 -0.92 0.52 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.80 0.00 0.00 3.22 4.77 -0.46 -4.98 117.00 117.75 1d8b n LEU 63 Ca 0.04 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1d8b n LEU 63 Cb 0.24 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1d8b n LEU 63 CO 0.19 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1d8b n GLY 64 N 0.81 1.15 2.30 -0.72 0.00 -0.98 -4.73 105.19 103.02 1d8b n GLY 64 Ca 0.07 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 0.32 -2.34 2.61 -2.24 -1.26 -4.88 114.28 106.49 1d8b n THR 65 Ca 0.00 -4.39 -0.42 0.00 -2.27 0.00 0.00 64.05 56.97 1d8b n THR 65 Cb 0.00 -1.99 -0.03 0.00 -2.10 0.00 0.00 70.33 66.21 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 -1.52 3.84 0.85 2.28 -7.23 -1.26 -4.99 120.40 112.36 1d8b s VAL 66 Ca 0.36 1.30 -0.10 0.00 -1.81 0.00 0.00 61.98 61.73 1d8b s VAL 66 Cb 0.15 -3.84 0.10 0.00 0.56 0.00 0.00 36.38 33.35 1d8b s VAL 66 CO -0.09 0.08 1.11 -0.70 -0.31 0.00 0.00 175.10 175.20 1d8b s GLU 67 N 1.28 1.61 0.40 4.82 -6.30 -1.26 -4.80 118.70 114.45 1d8b s GLU 67 Ca 0.60 1.28 0.06 0.00 -2.50 0.00 0.00 54.97 54.42 1d8b s GLU 67 Cb -0.31 -1.82 0.82 0.00 0.00 0.00 0.00 34.13 32.83 1d8b s GLU 67 CO 0.29 -2.13 2.05 0.22 0.02 0.00 0.00 175.26 175.71 1d8b h ASP 68 N -1.49 0.51 0.20 -1.70 3.58 -1.99 0.12 116.42 115.64 1d8b h ASP 68 Ca -0.44 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 56.96 1d8b h ASP 68 Cb 1.25 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 1d8b h ASP 68 CO 0.48 0.37 -0.16 0.07 -2.88 0.00 0.00 179.24 177.12 1d8b h LYS 69 N 0.60 0.00 0.12 0.28 2.10 -2.00 -0.36 116.57 117.30 1d8b h LYS 69 Ca 0.16 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.53 1d8b h LYS 69 Cb -0.06 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.28 1d8b h LYS 69 CO -0.03 0.16 -1.21 1.88 -2.00 0.00 0.00 179.45 178.25 1d8b h TYR 70 N 0.00 0.69 -0.42 0.07 0.05 -1.15 -3.18 116.97 113.02 1d8b h TYR 70 Ca -0.00 -0.46 -0.04 0.00 0.05 0.00 0.00 58.73 58.28 1d8b h TYR 70 Cb 0.30 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1d8b h TYR 70 CO 0.00 1.33 0.11 0.00 -1.05 0.00 0.00 178.16 178.55 1d8b h ARG 71 N 0.16 0.63 0.21 4.88 -0.00 -0.39 -0.43 114.38 119.43 1d8b h ARG 71 Ca -0.15 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.98 59.22 1d8b h ARG 71 Cb 1.90 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 31.76 1d8b h ARG 71 CO 0.21 0.57 -0.15 0.00 0.00 0.00 0.00 179.97 180.60 1d8b h ARG 72 N 0.61 -0.33 0.00 0.04 -0.00 -1.08 -2.60 114.38 111.02 1d8b h ARG 72 Ca 0.14 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.65 1d8b h ARG 72 Cb 0.22 0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.26 1d8b h ARG 72 CO -0.01 -0.22 0.00 2.89 0.00 0.00 0.00 179.97 182.63 1d8b n ARG 73 N -3.19 0.45 -0.05 0.04 0.00 -1.22 -3.02 116.66 109.67 1d8b n ARG 73 Ca -0.04 0.05 0.01 0.00 -0.00 0.00 0.00 57.85 57.87 1d8b n ARG 73 Cb 0.15 -1.50 0.32 0.00 -0.00 0.00 0.00 32.46 31.43 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 0.00 0.64 -0.16 2.89 3.04 -0.66 -2.09 116.94 120.60 1d8b h PHE 74 Ca 0.00 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.97 1d8b h PHE 74 Cb 0.14 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1d8b h PHE 74 CO 0.00 0.50 0.26 1.57 -2.02 0.00 0.00 178.31 178.61 1d8b h LYS 75 N 0.64 0.00 0.00 1.11 2.10 -1.57 0.17 116.57 119.03 1d8b h LYS 75 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1d8b h LYS 75 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1d8b h LYS 75 CO -0.02 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.09 1d8b n TYR 76 N -3.48 0.00 0.10 0.07 4.01 -0.78 -3.02 117.16 114.05 1d8b n TYR 76 Ca 0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.79 1d8b n TYR 76 Cb 0.37 -0.41 -0.06 0.00 -0.31 0.00 0.00 39.34 38.93 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 -1.41 0.00 -0.20 -0.72 3.72 0.55 -4.69 117.46 114.71 1d8b n PHE 77 Ca 0.08 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 57.75 1d8b n PHE 77 Cb 0.25 -0.13 0.67 0.00 -0.94 0.00 0.00 39.48 39.34 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 0.09 0.07 -1.08 1.79 -1.34 0.34 116.57 116.44 1d8b h LYS 78 Ca 0.00 -0.01 -0.26 0.00 -2.18 0.00 0.00 60.65 58.20 1d8b h LYS 78 Cb 0.31 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 1d8b h LYS 78 CO 0.00 0.06 -1.31 0.00 -1.08 0.00 0.00 179.45 177.13 1d8b h ALA 79 N 1.57 0.32 -0.06 3.86 0.00 -1.84 -3.01 119.26 120.10 1d8b h ALA 79 Ca 0.44 -1.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 1d8b h ALA 79 Cb 1.60 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1d8b h ALA 79 CO -0.05 1.19 -0.34 1.15 0.00 0.00 0.00 179.25 181.20 1d8b h THR 80 N 0.04 1.43 -0.82 0.00 2.02 -1.29 -2.06 112.91 112.22 1d8b h THR 80 Ca -0.14 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.27 1d8b h THR 80 Cb 1.92 2.37 -0.04 0.00 -1.74 0.00 0.00 68.15 70.67 1d8b h THR 80 CO 0.15 0.51 0.53 0.40 0.37 0.00 0.00 175.52 177.47 1d8b h ILE 81 N -0.17 1.22 -0.21 3.11 2.04 -0.55 0.36 117.51 123.30 1d8b h ILE 81 Ca -0.03 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1d8b h ILE 81 Cb 1.00 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1d8b h ILE 81 CO 0.07 0.22 0.03 0.00 0.00 0.00 0.00 178.15 178.47 1d8b h ALA 82 N 1.46 0.28 -0.51 1.87 0.00 -1.53 -0.57 119.26 120.25 1d8b h ALA 82 Ca 0.30 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1d8b h ALA 82 Cb -0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1d8b h ALA 82 CO -0.06 -0.03 0.09 0.22 0.00 0.00 0.00 179.25 179.46 1d8b h ASP 83 N 0.15 0.81 0.03 0.00 3.58 -0.84 -2.39 116.42 117.76 1d8b h ASP 83 Ca 0.06 -0.26 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 1d8b h ASP 83 Cb 0.33 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1d8b h ASP 83 CO 0.01 0.86 -0.09 -0.07 -2.88 0.00 0.00 179.24 177.06 1d8b h LEU 84 N 0.73 0.15 -0.71 2.28 3.38 -0.20 -0.39 115.31 120.55 1d8b h LEU 84 Ca 0.16 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1d8b h LEU 84 Cb 0.39 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1d8b h LEU 84 CO 0.01 0.27 -0.62 -1.28 0.09 0.00 0.00 178.44 176.91 1d8b h SER 85 N 0.16 0.11 1.18 -0.43 0.87 -0.68 -1.79 113.55 112.97 1d8b h SER 85 Ca 0.04 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 1d8b h SER 85 Cb 0.27 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1d8b h SER 85 CO 0.01 0.70 -0.87 0.11 -0.53 0.00 0.00 176.83 176.26 1d8b h LYS 86 N 0.07 0.00 0.08 2.24 1.57 -0.89 -3.32 116.57 116.33 1d8b h LYS 86 Ca -0.01 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.50 1d8b h LYS 86 Cb 1.11 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.44 1d8b h LYS 86 CO 0.09 0.34 -1.14 0.87 -0.57 0.00 0.00 179.45 179.04 1d8b h LYS 87 N 0.00 0.49 -1.99 3.15 1.79 -0.99 -3.31 116.57 115.70 1d8b h LYS 87 Ca -0.06 -0.63 -0.25 0.00 -2.18 0.00 0.00 60.65 57.52 1d8b h LYS 87 Cb 1.40 0.21 -0.09 0.00 -1.58 0.00 0.00 32.23 32.16 1d8b h LYS 87 CO 0.05 1.26 -0.18 -2.13 -1.08 0.00 0.00 179.45 177.36 1d8b n ARG 88 N -3.73 2.04 -0.09 3.15 0.63 -0.68 -4.19 116.66 113.79 1d8b n ARG 88 Ca -0.10 -1.26 -0.10 0.00 -0.92 0.00 0.00 57.85 55.47 1d8b n ARG 88 Cb 0.94 -1.98 -0.04 0.00 0.45 0.00 0.00 32.46 31.84 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 2.05 1.87 -0.06 6.15 7.64 -1.25 -4.71 113.62 125.31 1d8b n SER 89 Ca 0.42 0.49 0.02 0.00 1.01 0.00 0.00 58.87 60.81 1d8b n SER 89 Cb 0.81 -0.83 -0.01 0.00 -1.01 0.00 0.00 64.21 63.16 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 -4.52 0.57 0.00 6.43 7.64 -1.26 -5.18 113.62 117.30 1d8b n SER 90 Ca -0.16 -0.79 0.12 0.00 1.01 0.00 0.00 58.87 59.05 1d8b n SER 90 Cb 0.45 0.72 0.72 0.00 -1.01 0.00 0.00 64.21 65.08 1d8b n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41