#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2abd n GLN 2 N 0.00 -0.05 0.10 -1.46 10.64 -1.26 -4.39 117.38 120.96 2abd n GLN 2 Ca 0.00 -0.68 -0.04 0.00 -1.83 0.00 0.00 57.00 54.45 2abd n GLN 2 Cb 0.00 -0.96 0.12 0.00 -0.86 0.00 0.00 30.24 28.54 2abd n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2abd h ALA 3 N 0.00 0.85 0.00 2.61 0.00 -1.98 0.26 119.26 121.00 2abd h ALA 3 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2abd h ALA 3 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2abd h ALA 3 CO 0.00 0.78 -0.71 1.05 0.00 0.00 0.00 179.25 180.37 2abd h GLU 4 N 0.10 0.00 0.00 0.00 9.09 -1.96 -2.48 114.58 119.34 2abd h GLU 4 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 2abd h GLU 4 Cb 1.16 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.26 2abd h GLU 4 CO 0.09 0.00 -0.15 0.35 0.05 0.00 0.00 179.01 179.36 2abd h PHE 5 N 0.00 0.00 0.00 2.06 3.57 -1.74 0.12 116.94 120.94 2abd h PHE 5 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 2abd h PHE 5 Cb 0.77 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 2abd h PHE 5 CO 0.00 0.32 -0.26 -0.44 -2.23 0.00 0.00 178.31 175.71 2abd h ASP 6 N -1.00 0.00 -0.14 0.41 3.32 -0.60 0.25 116.42 118.66 2abd h ASP 6 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2abd h ASP 6 Cb 0.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2abd h ASP 6 CO -0.01 0.26 0.01 0.50 -1.72 0.00 0.00 179.24 178.27 2abd h LYS 7 N 0.00 0.25 -0.21 3.56 3.64 -1.51 0.40 116.57 122.69 2abd h LYS 7 Ca -0.00 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2abd h LYS 7 Cb 0.54 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.27 2abd h LYS 7 CO 0.03 0.46 -0.31 0.00 -2.27 0.00 0.00 179.45 177.36 2abd h ALA 8 N 0.78 -0.30 -0.47 5.00 0.00 0.79 0.26 119.26 125.32 2abd h ALA 8 Ca 0.04 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2abd h ALA 8 Cb 0.34 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 2abd h ALA 8 CO 0.01 -0.76 -0.13 0.00 0.00 0.00 0.00 179.25 178.36 2abd h ALA 9 N 0.55 0.29 0.01 0.00 0.00 -0.22 0.26 119.26 120.14 2abd h ALA 9 Ca 0.12 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.24 2abd h ALA 9 Cb 0.53 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2abd h ALA 9 CO -0.41 -0.46 -0.19 1.49 0.00 0.00 0.00 179.25 179.69 2abd h GLU 10 N -0.02 -0.30 0.56 0.00 4.81 0.13 -1.57 114.58 118.20 2abd h GLU 10 Ca 0.23 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2abd h GLU 10 Cb 0.36 0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.81 2abd h GLU 10 CO -0.49 -0.20 -0.27 0.93 -0.73 0.00 0.00 179.01 178.25 2abd h GLU 11 N -0.31 -0.73 -0.93 1.92 5.08 0.20 -3.02 114.58 116.78 2abd h GLU 11 Ca 0.05 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2abd h GLU 11 Cb 0.38 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2abd h GLU 11 CO -0.17 -0.46 0.60 -0.24 -1.00 0.00 0.00 179.01 177.75 2abd h VAL 12 N -0.83 1.04 0.00 3.13 3.04 -0.53 0.27 116.25 122.37 2abd h VAL 12 Ca -0.08 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2abd h VAL 12 Cb 0.61 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.81 2abd h VAL 12 CO 0.13 0.19 0.00 0.29 -1.01 0.00 0.00 177.57 177.17 2abd n LYS 13 N -4.51 0.68 -0.05 4.17 5.02 -0.59 -3.57 118.16 119.32 2abd n LYS 13 Ca 0.15 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.36 2abd n LYS 13 Cb 0.23 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 2abd n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2abd n HIS 14 N -0.83 0.00 0.00 2.13 8.25 0.85 -5.06 115.22 120.56 2abd n HIS 14 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2abd n HIS 14 Cb 0.05 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.82 2abd n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2abd n LEU 15 N -2.99 0.00 -0.38 2.41 4.77 -0.51 -4.74 117.00 115.55 2abd n LEU 15 Ca -0.17 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.78 2abd n LEU 15 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2abd n LEU 15 CO 0.06 0.00 0.53 1.17 -1.33 0.00 0.00 177.39 177.82 2abd n LYS 16 N 0.00 -0.28 -3.44 3.23 4.81 0.11 -4.13 118.16 118.46 2abd n LYS 16 Ca 0.00 1.46 -0.27 0.00 -0.87 0.00 0.00 58.31 58.64 2abd n LYS 16 Cb 0.00 -2.16 -0.02 0.00 0.02 0.00 0.00 35.03 32.86 2abd n LYS 16 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2abd s THR 17 N -5.79 5.10 -0.42 3.15 2.01 -1.16 -5.05 115.64 113.47 2abd s THR 17 Ca -0.13 -0.24 -0.16 0.00 0.31 0.00 0.00 61.69 61.48 2abd s THR 17 Cb 0.17 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.93 2abd s THR 17 CO 0.66 -0.37 0.35 -0.54 -0.69 0.00 0.00 174.62 174.03 2abd s LYS 18 N -3.77 3.00 0.29 4.92 3.01 -1.26 -4.88 119.74 121.05 2abd s LYS 18 Ca 0.41 -1.01 -0.22 0.00 -1.01 0.00 0.00 55.97 54.15 2abd s LYS 18 Cb -0.10 -4.00 -0.15 0.00 -1.01 0.00 0.00 37.83 32.57 2abd s LYS 18 CO 0.32 -0.83 0.23 -2.30 0.51 0.00 0.00 175.35 173.28 2abd n PRO 19 N 5.29 0.00 -2.31 -1.68 -0.02 -1.26 -5.00 135.00 130.03 2abd n PRO 19 Ca -0.10 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.11 2abd n PRO 19 Cb 0.47 -0.90 0.04 0.00 -0.02 0.00 0.00 33.50 33.08 2abd n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2abd s ALA 20 N -1.28 3.24 0.00 3.55 0.00 -1.26 -4.77 121.76 121.24 2abd s ALA 20 Ca 0.55 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.79 2abd s ALA 20 Cb -0.68 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2abd s ALA 20 CO 0.54 -0.94 0.54 -0.25 0.00 0.00 0.00 175.76 175.65 2abd n ASP 21 N -2.69 0.00 -0.12 0.00 8.00 -1.26 -0.37 116.55 120.10 2abd n ASP 21 Ca 0.05 0.54 -0.04 0.00 0.71 0.00 0.00 54.79 56.05 2abd n ASP 21 Cb 0.58 -0.21 0.03 0.00 -0.02 0.00 0.00 41.12 41.50 2abd n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2abd h GLU 22 N 0.00 0.10 -0.19 -1.24 4.39 -1.98 0.34 114.58 115.99 2abd h GLU 22 Ca 0.00 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2abd h GLU 22 Cb 0.00 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2abd h GLU 22 CO 0.00 0.07 0.11 0.93 -1.16 0.00 0.00 179.01 178.95 2abd h GLU 23 N 0.10 0.22 -0.56 2.33 5.08 -1.81 -2.41 114.58 117.52 2abd h GLU 23 Ca 0.20 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2abd h GLU 23 Cb 0.29 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2abd h GLU 23 CO -0.34 0.14 0.28 0.52 -1.00 0.00 0.00 179.01 178.62 2abd h MET 24 N 0.23 0.80 -0.84 2.33 2.86 -0.16 -3.03 114.93 117.12 2abd h MET 24 Ca 0.08 -0.11 0.14 0.00 -2.06 0.00 0.00 59.70 57.75 2abd h MET 24 Cb 0.00 -0.15 -0.15 0.00 0.06 0.00 0.00 31.60 31.37 2abd h MET 24 CO -0.04 0.64 -0.33 -0.07 1.06 0.00 0.00 176.91 178.17 2abd h LEU 25 N 0.76 -1.21 0.04 1.22 3.38 0.15 0.37 115.31 120.02 2abd h LEU 25 Ca 0.19 0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 2abd h LEU 25 Cb 0.10 0.65 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2abd h LEU 25 CO -0.03 -0.29 -0.07 0.15 0.09 0.00 0.00 178.44 178.29 2abd h PHE 26 N -0.05 -0.19 -0.37 1.13 3.57 -1.37 0.28 116.94 119.95 2abd h PHE 26 Ca 0.33 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.87 2abd h PHE 26 Cb 0.59 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 2abd h PHE 26 CO -0.76 -0.08 -0.25 0.82 -2.23 0.00 0.00 178.31 175.81 2abd h ILE 27 N -0.11 0.00 -0.48 1.41 5.03 -1.44 -0.91 117.51 121.00 2abd h ILE 27 Ca -0.00 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.78 2abd h ILE 27 Cb 0.10 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 33.83 2abd h ILE 27 CO -0.02 0.00 -0.36 0.22 -0.68 0.00 0.00 178.15 177.31 2abd h TYR 28 N -0.04 -1.12 -0.10 1.37 3.20 -0.17 0.75 116.97 120.85 2abd h TYR 28 Ca 0.06 0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2abd h TYR 28 Cb 0.19 0.55 -0.06 0.00 1.54 0.00 0.00 36.73 38.95 2abd h TYR 28 CO -0.91 -0.25 -0.46 0.66 -1.64 0.00 0.00 178.16 175.56 2abd h SER 29 N -0.09 -1.44 -0.44 -2.11 4.64 -0.07 0.19 113.55 114.23 2abd h SER 29 Ca 0.08 0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 2abd h SER 29 Cb 0.29 0.57 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 2abd h SER 29 CO -0.50 -0.46 0.21 0.45 -0.87 0.00 0.00 176.83 175.66 2abd h HIS 30 N -0.54 0.64 0.05 4.77 3.86 -0.91 -0.95 115.15 122.07 2abd h HIS 30 Ca 0.06 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2abd h HIS 30 Cb 0.66 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 2abd h HIS 30 CO -0.50 0.52 -0.04 -0.92 0.86 0.00 0.00 177.93 177.85 2abd h TYR 31 N 0.57 -0.12 -0.89 2.45 3.20 0.11 0.53 116.97 122.82 2abd h TYR 31 Ca 0.15 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.24 2abd h TYR 31 Cb 0.13 0.04 -0.16 0.00 1.54 0.00 0.00 36.73 38.28 2abd h TYR 31 CO -0.01 -0.06 -0.01 0.87 -1.64 0.00 0.00 178.16 177.31 2abd h LYS 32 N -0.09 0.05 0.84 1.82 1.79 -0.68 0.33 116.57 120.63 2abd h LYS 32 Ca -0.01 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 2abd h LYS 32 Cb 0.08 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.72 2abd h LYS 32 CO -0.00 0.03 -0.40 1.96 -1.08 0.00 0.00 179.45 179.96 2abd h GLN 33 N 0.05 -1.09 -0.97 3.15 1.08 -0.57 0.39 115.11 117.15 2abd h GLN 33 Ca 0.50 0.07 0.31 0.00 -1.45 0.00 0.00 58.65 58.09 2abd h GLN 33 Cb 0.95 0.25 -0.15 0.00 -0.05 0.00 0.00 27.48 28.47 2abd h GLN 33 CO -0.82 -0.72 0.45 0.00 -0.95 0.00 0.00 178.83 176.79 2abd h ALA 34 N -1.11 1.78 0.00 3.87 0.00 0.22 -2.20 119.26 121.83 2abd h ALA 34 Ca -0.12 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2abd h ALA 34 Cb 0.87 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2abd h ALA 34 CO 0.19 -0.61 -0.84 0.25 0.00 0.00 0.00 179.25 178.24 2abd n THR 35 N -5.15 1.45 -0.02 0.00 -2.24 0.93 -4.82 114.28 104.42 2abd n THR 35 Ca 0.30 0.17 -0.06 0.00 -2.27 0.00 0.00 64.05 62.19 2abd n THR 35 Cb 0.95 -2.35 -0.05 0.00 -2.10 0.00 0.00 70.33 66.79 2abd n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2abd h VAL 36 N -0.98 0.61 0.00 2.28 2.07 -0.49 -3.51 116.25 116.24 2abd h VAL 36 Ca 0.00 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2abd h VAL 36 Cb 0.84 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2abd h VAL 36 CO 0.00 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.40 2abd n GLY 37 N 1.45 0.14 3.57 2.17 0.00 0.60 -4.99 105.19 108.12 2abd n GLY 37 Ca -0.04 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 2abd n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2abd s ASP 38 N -4.00 5.01 0.00 1.61 1.11 -1.26 -3.56 116.67 115.58 2abd s ASP 38 Ca 0.00 1.28 0.00 0.00 0.18 0.00 0.00 52.55 54.01 2abd s ASP 38 Cb 0.00 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.48 2abd s ASP 38 CO 0.00 -2.40 0.00 0.00 1.18 0.00 0.00 175.17 173.95 2abd n ILE 39 N 7.77 0.00 -0.51 0.77 3.06 -1.26 -4.66 119.36 124.53 2abd n ILE 39 Ca 0.31 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.51 2abd n ILE 39 Cb 0.50 0.00 0.23 0.00 0.54 0.00 0.00 39.64 40.91 2abd n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 2abd n ASN 40 N 0.00 4.09 -4.44 9.51 6.94 -1.26 -4.80 115.26 125.30 2abd n ASN 40 Ca 0.00 -2.91 -0.25 0.00 -0.02 0.00 0.00 54.58 51.39 2abd n ASN 40 Cb 0.00 -0.69 -0.11 0.00 -2.36 0.00 0.00 39.78 36.62 2abd n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2abd s THR 41 N -2.36 2.40 0.14 5.53 -4.23 -1.26 -5.13 115.64 110.72 2abd s THR 41 Ca 0.41 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 2abd s THR 41 Cb 0.33 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 2abd s THR 41 CO 0.10 -0.25 0.27 -1.61 -0.54 0.00 0.00 174.62 172.60 2abd s GLU 42 N -3.05 3.42 -0.56 3.99 2.02 -1.26 -5.05 118.70 118.22 2abd s GLU 42 Ca 0.25 -0.59 -0.27 0.00 0.02 0.00 0.00 54.97 54.38 2abd s GLU 42 Cb -0.07 -2.96 0.03 0.00 0.10 0.00 0.00 34.13 31.23 2abd s GLU 42 CO 0.12 0.53 1.12 0.50 0.02 0.00 0.00 175.26 177.55 2abd s ARG 43 N -3.16 3.49 0.32 1.61 3.52 -1.26 -4.91 118.95 118.56 2abd s ARG 43 Ca 0.34 0.16 -0.14 0.00 -0.13 0.00 0.00 55.73 55.97 2abd s ARG 43 Cb -0.11 -4.01 -0.11 0.00 -1.56 0.00 0.00 34.95 29.16 2abd s ARG 43 CO 0.28 -1.59 -0.01 -2.30 -0.81 0.00 0.00 175.30 170.87 2abd n PRO 44 N 8.10 0.00 0.00 5.12 -0.02 -1.26 -4.97 135.00 141.97 2abd n PRO 44 Ca 0.07 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.58 2abd n PRO 44 Cb 0.49 -0.70 0.02 0.00 -0.02 0.00 0.00 33.50 33.29 2abd n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2abd n GLY 45 N 1.69 -0.81 0.00 -1.23 0.00 -1.26 -4.89 105.19 98.69 2abd n GLY 45 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2abd n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2abd n MET 46 N 0.26 1.59 -1.61 1.61 2.81 -1.26 -4.98 117.12 115.55 2abd n MET 46 Ca 0.03 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.62 2abd n MET 46 Cb 0.15 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.62 2abd n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2abd n LEU 47 N 0.00 6.74 -0.07 4.03 4.77 -1.26 -4.48 117.00 126.73 2abd n LEU 47 Ca 0.00 -4.26 -0.07 0.00 -0.03 0.00 0.00 56.01 51.65 2abd n LEU 47 Cb 0.00 -1.21 -0.05 0.00 -2.33 0.00 0.00 43.42 39.83 2abd n LEU 47 CO 0.00 1.76 -0.08 -2.24 -1.33 0.00 0.00 177.39 175.50 2abd h ASP 48 N 3.09 0.00 0.00 -1.43 2.03 -1.97 -3.47 116.42 114.66 2abd h ASP 48 Ca 0.44 -0.29 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 2abd h ASP 48 Cb 0.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 2abd h ASP 48 CO 1.01 0.81 0.00 0.49 -1.03 0.00 0.00 179.24 180.52 2abd n PHE 49 N -4.65 0.00 0.69 4.15 3.72 -1.26 -4.47 117.46 115.63 2abd n PHE 49 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2abd n PHE 49 Cb 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 2abd n PHE 49 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2abd n LYS 50 N 0.00 0.66 0.01 -1.08 5.02 -1.26 -1.58 118.16 119.92 2abd n LYS 50 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 2abd n LYS 50 Cb 0.00 -1.31 -0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2abd n GLY 51 N 0.17 -0.12 0.09 0.72 0.00 -1.26 -4.55 105.19 100.24 2abd n GLY 51 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 2abd n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2abd n LYS 52 N -3.15 -0.10 -0.01 1.61 4.01 -0.97 -0.84 118.16 118.72 2abd n LYS 52 Ca -0.02 0.73 -0.00 0.00 -0.51 0.00 0.00 58.31 58.51 2abd n LYS 52 Cb 0.07 -1.08 -0.00 0.00 -0.51 0.00 0.00 35.03 33.51 2abd n LYS 52 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2abd n ALA 53 N -2.94 -0.01 -0.14 7.82 0.00 -0.61 0.31 120.51 124.94 2abd n ALA 53 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 2abd n ALA 53 Cb 0.06 0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 2abd n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2abd h LYS 54 N 0.00 -0.28 -0.10 0.00 6.56 -1.35 0.30 116.57 121.70 2abd h LYS 54 Ca 0.00 0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.65 2abd h LYS 54 Cb 0.01 0.06 -0.06 0.00 -0.57 0.00 0.00 32.23 31.67 2abd h LYS 54 CO -0.01 -0.19 -0.48 2.35 -2.06 0.00 0.00 179.45 179.06 2abd h TRP 55 N -0.29 -1.40 0.81 -1.35 7.01 0.48 0.84 115.95 122.05 2abd h TRP 55 Ca 0.16 0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.17 2abd h TRP 55 Cb 0.57 0.63 0.01 0.00 -2.10 0.00 0.00 29.16 28.27 2abd h TRP 55 CO -0.62 -0.52 -0.39 -0.44 -2.79 0.00 0.00 178.44 173.68 2abd h ASP 56 N -0.56 -0.92 -0.94 2.65 3.32 0.40 0.48 116.42 120.85 2abd h ASP 56 Ca 0.05 0.03 0.22 0.00 0.02 0.00 0.00 57.03 57.35 2abd h ASP 56 Cb 0.67 0.24 -0.18 0.00 0.22 0.00 0.00 39.33 40.28 2abd h ASP 56 CO -0.40 -0.66 -0.12 0.00 -1.72 0.00 0.00 179.24 176.34 2abd n ALA 57 N -2.54 0.34 -0.02 3.45 0.00 0.10 -0.06 120.51 121.78 2abd n ALA 57 Ca -0.14 1.02 -0.13 0.00 0.00 0.00 0.00 53.44 54.20 2abd n ALA 57 Cb 0.43 -0.67 -0.11 0.00 0.00 0.00 0.00 19.45 19.10 2abd n ALA 57 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2abd h TRP 58 N 0.00 -0.01 -0.66 0.00 7.01 -0.53 -3.28 115.95 118.48 2abd h TRP 58 Ca 0.51 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.65 2abd h TRP 58 Cb 0.91 0.00 -0.12 0.00 -2.10 0.00 0.00 29.16 27.86 2abd h TRP 58 CO -0.61 0.59 -0.03 -0.97 -2.79 0.00 0.00 178.44 174.63 2abd h ASN 59 N -0.63 -0.35 -1.75 2.65 -1.24 0.35 0.54 115.58 115.15 2abd h ASN 59 Ca -0.00 0.17 0.52 0.00 0.71 0.00 0.00 56.30 57.70 2abd h ASN 59 Cb 0.61 0.32 -0.08 0.00 0.73 0.00 0.00 38.32 39.89 2abd h ASN 59 CO 0.00 -0.15 1.24 -0.33 -1.29 0.00 0.00 177.43 176.90 2abd h GLU 60 N 0.09 0.01 0.03 6.67 4.39 -0.52 0.13 114.58 125.38 2abd h GLU 60 Ca 0.35 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.00 2abd h GLU 60 Cb 0.57 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2abd h GLU 60 CO -0.59 0.01 -0.20 -0.07 -1.16 0.00 0.00 179.01 176.99 2abd h LEU 61 N 0.01 0.12 0.00 1.33 3.38 -1.01 -3.47 115.31 115.68 2abd h LEU 61 Ca 0.87 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2abd h LEU 61 Cb 3.36 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 44.07 2abd h LEU 61 CO -0.08 1.08 0.00 1.17 0.09 0.00 0.00 178.44 180.69 2abd n LYS 62 N -4.50 0.00 0.00 1.13 4.81 0.46 -0.39 118.16 119.68 2abd n LYS 62 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 2abd n LYS 62 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 2abd n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2abd n GLY 63 N 0.00 1.69 3.77 3.14 0.00 -1.26 -4.96 105.19 107.57 2abd n GLY 63 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2abd n GLY 63 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2abd s THR 64 N -1.69 3.56 -0.69 2.61 -1.32 0.48 -4.86 115.64 113.73 2abd s THR 64 Ca 0.00 1.29 -0.32 0.00 -1.21 0.00 0.00 61.69 61.45 2abd s THR 64 Cb 0.00 -3.72 -0.16 0.00 -1.51 0.00 0.00 72.50 67.12 2abd s THR 64 CO 0.00 0.10 2.47 -1.20 -2.21 0.00 0.00 174.62 173.78 2abd n SER 65 N 0.24 1.22 -0.07 8.08 7.64 -1.26 -4.73 113.62 124.74 2abd n SER 65 Ca 0.04 0.10 0.06 0.00 1.01 0.00 0.00 58.87 60.08 2abd n SER 65 Cb 0.48 -1.16 0.11 0.00 -1.01 0.00 0.00 64.21 62.63 2abd n SER 65 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2abd n LYS 66 N 8.46 -0.01 -0.01 1.43 4.76 -1.26 0.13 118.16 131.65 2abd n LYS 66 Ca 0.53 0.31 -0.10 0.00 -2.87 0.00 0.00 58.31 56.17 2abd n LYS 66 Cb 0.19 -0.53 -0.08 0.00 -1.84 0.00 0.00 35.03 32.77 2abd n LYS 66 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2abd h GLU 67 N 0.00 -0.09 -0.68 1.97 4.22 -1.91 -2.77 114.58 115.33 2abd h GLU 67 Ca 0.17 0.01 0.13 0.00 0.08 0.00 0.00 59.36 59.75 2abd h GLU 67 Cb 0.42 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 2abd h GLU 67 CO -0.18 0.47 0.17 -0.44 -2.18 0.00 0.00 179.01 176.85 2abd h ASP 68 N -0.91 0.04 -0.37 1.04 3.32 0.67 0.41 116.42 120.62 2abd h ASP 68 Ca -0.01 0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.21 2abd h ASP 68 Cb 0.59 0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.22 2abd h ASP 68 CO 0.02 0.00 -0.56 0.00 -1.72 0.00 0.00 179.24 176.98 2abd h ALA 69 N 1.54 -0.80 0.53 3.45 0.00 -1.11 0.26 119.26 123.13 2abd h ALA 69 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2abd h ALA 69 Cb 0.58 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2abd h ALA 69 CO -0.45 -1.06 -0.42 0.52 0.00 0.00 0.00 179.25 177.85 2abd h MET 70 N -0.42 -0.88 -0.23 0.00 2.86 -0.69 -1.75 114.93 113.82 2abd h MET 70 Ca 0.07 0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2abd h MET 70 Cb 0.60 0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.41 2abd h MET 70 CO -0.57 -0.59 -0.37 0.87 1.06 0.00 0.00 176.91 177.31 2abd h LYS 71 N -0.91 -0.29 -0.78 1.72 1.57 -0.08 -1.03 116.57 116.77 2abd h LYS 71 Ca -0.07 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2abd h LYS 71 Cb 0.76 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.02 2abd h LYS 71 CO 0.01 -0.19 -0.52 0.00 -0.57 0.00 0.00 179.45 178.18 2abd h ALA 72 N -0.51 -0.44 -0.72 3.86 0.00 -0.52 0.11 119.26 121.05 2abd h ALA 72 Ca 0.04 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.15 2abd h ALA 72 Cb 0.41 1.17 -0.10 0.00 0.00 0.00 0.00 17.79 19.28 2abd h ALA 72 CO -0.38 -0.90 -0.36 0.98 0.00 0.00 0.00 179.25 178.60 2abd n TYR 73 N -5.35 -0.16 0.23 0.00 9.36 -0.43 0.52 117.16 121.33 2abd n TYR 73 Ca 0.02 0.89 -0.10 0.00 3.32 0.00 0.00 57.90 62.03 2abd n TYR 73 Cb 0.32 -0.65 -0.05 0.00 -0.63 0.00 0.00 39.34 38.33 2abd n TYR 73 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2abd h ILE 74 N 0.00 0.00 -1.68 2.97 5.03 -0.55 0.67 117.51 123.96 2abd h ILE 74 Ca 0.18 -0.52 0.49 0.00 -0.12 0.00 0.00 64.86 64.88 2abd h ILE 74 Cb 0.36 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.08 2abd h ILE 74 CO -0.69 0.00 1.34 0.47 -0.68 0.00 0.00 178.15 178.58 2abd n ASP 75 N -5.21 0.00 -0.13 1.72 8.00 0.20 0.00 116.55 121.12 2abd n ASP 75 Ca -0.08 0.90 -0.22 0.00 0.71 0.00 0.00 54.79 56.10 2abd n ASP 75 Cb 0.26 -0.42 -0.11 0.00 -0.02 0.00 0.00 41.12 40.83 2abd n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2abd n LYS 76 N -3.67 0.62 -0.30 -1.24 4.76 0.18 -4.53 118.16 113.98 2abd n LYS 76 Ca 0.38 0.19 0.26 0.00 -2.87 0.00 0.00 58.31 56.27 2abd n LYS 76 Cb 1.84 -1.50 0.49 0.00 -1.84 0.00 0.00 35.03 34.01 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2abd n VAL 77 N -3.63 -0.38 -0.31 -0.18 0.31 0.10 -0.15 118.33 114.09 2abd n VAL 77 Ca -0.49 1.89 0.12 0.00 -0.01 0.00 0.00 64.34 65.85 2abd n VAL 77 Cb 0.95 -3.00 0.24 0.00 -0.91 0.00 0.00 33.84 31.12 2abd n VAL 77 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2abd n GLU 78 N -5.12 -0.07 -0.25 5.55 0.00 -1.14 0.17 120.64 119.78 2abd n GLU 78 Ca 0.32 1.33 0.05 0.00 0.00 0.00 0.00 57.16 58.87 2abd n GLU 78 Cb 1.08 -2.10 0.18 0.00 0.00 0.00 0.00 31.44 30.61 2abd n GLU 78 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2abd h GLU 79 N 0.00 0.31 -0.37 5.31 5.08 -0.86 0.37 114.58 124.42 2abd h GLU 79 Ca 0.52 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.77 2abd h GLU 79 Cb 1.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2abd h GLU 79 CO -0.84 0.20 -0.11 -0.07 -1.00 0.00 0.00 179.01 177.19 2abd h LEU 80 N 0.32 0.74 -1.75 1.33 3.38 0.15 0.24 115.31 119.71 2abd h LEU 80 Ca 0.41 -0.37 0.25 0.00 0.09 0.00 0.00 57.88 58.26 2abd h LEU 80 Cb 0.69 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 2abd h LEU 80 CO -0.47 0.94 0.65 0.50 0.09 0.00 0.00 178.44 180.15 2abd h LYS 81 N 0.52 0.18 0.01 1.13 3.64 0.19 0.78 116.57 123.03 2abd h LYS 81 Ca 0.09 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.30 2abd h LYS 81 Cb 0.63 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2abd h LYS 81 CO 0.04 0.12 -0.88 0.87 -2.27 0.00 0.00 179.45 177.32 2abd h LYS 82 N 0.18 0.03 -0.12 1.90 1.79 0.19 -1.63 116.57 118.91 2abd h LYS 82 Ca 0.47 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.86 2abd h LYS 82 Cb 1.55 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 32.22 2abd h LYS 82 CO -0.10 1.03 -0.04 -0.22 -1.08 0.00 0.00 179.45 179.03 2abd h LYS 83 N -0.91 0.23 0.00 3.15 1.63 0.20 -3.39 116.57 117.49 2abd h LYS 83 Ca -0.23 -0.10 -0.33 0.00 -0.85 0.00 0.00 60.65 59.14 2abd h LYS 83 Cb 1.27 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.83 2abd h LYS 83 CO -0.11 0.56 -2.26 0.66 -3.45 0.00 0.00 179.45 174.85 2abd n TYR 84 N -4.72 0.00 0.00 1.91 4.01 0.25 -4.96 117.16 113.65 2abd n TYR 84 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2abd n TYR 84 Cb 0.26 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.42 2abd n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2abd n GLY 85 N 2.23 0.02 0.51 2.72 0.00 0.17 -3.01 105.19 107.83 2abd n GLY 85 Ca -0.36 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 45.77 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71