#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 0.00 0.00 -1.46 -0.06 -1.26 -5.19 117.38 109.41 2abd n GLN 2 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2abd n GLN 2 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2abd n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2abd n ALA 3 N -0.20 0.00 -0.30 1.69 0.00 -1.26 -4.96 120.51 115.48 2abd n ALA 3 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2abd n ALA 3 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 2abd n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2abd n GLU 4 N 0.00 2.92 -0.20 0.00 0.00 -1.26 -4.47 120.64 117.63 2abd n GLU 4 Ca 0.00 -2.57 -0.06 0.00 0.00 0.00 0.00 57.16 54.52 2abd n GLU 4 Cb 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 31.44 29.79 2abd n GLU 4 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2abd h PHE 5 N 4.02 -1.06 0.00 -1.84 3.57 -1.93 0.98 116.94 120.68 2abd h PHE 5 Ca 0.00 0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2abd h PHE 5 Cb 1.08 0.55 -0.00 0.00 2.79 0.00 0.00 35.95 40.36 2abd h PHE 5 CO 0.55 -0.40 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.77 2abd h ASP 6 N -0.19 0.00 -0.01 0.41 3.32 -1.98 0.44 116.42 118.41 2abd h ASP 6 Ca 0.21 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 2abd h ASP 6 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2abd h ASP 6 CO -0.68 0.02 -0.23 0.50 -1.72 0.00 0.00 179.24 177.13 2abd h LYS 7 N 0.00 0.17 0.06 3.56 3.11 0.39 0.30 116.57 124.16 2abd h LYS 7 Ca -0.00 -0.17 0.02 0.00 -2.81 0.00 0.00 60.65 57.69 2abd h LYS 7 Cb 0.12 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.35 2abd h LYS 7 CO 0.00 0.90 -0.41 0.00 -2.81 0.00 0.00 179.45 177.13 2abd h ALA 8 N 0.28 -0.69 -0.51 5.00 0.00 0.22 0.04 119.26 123.59 2abd h ALA 8 Ca -0.03 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2abd h ALA 8 Cb 0.97 0.70 -0.11 0.00 0.00 0.00 0.00 17.79 19.36 2abd h ALA 8 CO 0.05 -0.96 -0.27 0.00 0.00 0.00 0.00 179.25 178.07 2abd h ALA 9 N -0.08 0.05 -0.84 0.00 0.00 -0.22 0.29 119.26 118.47 2abd h ALA 9 Ca 0.04 0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.30 2abd h ALA 9 Cb 0.66 0.64 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 2abd h ALA 9 CO -0.27 -0.61 0.32 1.49 0.00 0.00 0.00 179.25 180.17 2abd h GLU 10 N -0.15 0.36 0.01 0.00 4.81 0.14 0.43 114.58 120.18 2abd h GLU 10 Ca 0.23 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2abd h GLU 10 Cb 0.51 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2abd h GLU 10 CO -0.60 0.24 -0.00 0.93 -0.73 0.00 0.00 179.01 178.84 2abd h GLU 11 N 0.37 -0.01 -0.11 1.92 5.08 0.45 -3.37 114.58 118.90 2abd h GLU 11 Ca 0.50 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.89 2abd h GLU 11 Cb 0.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2abd h GLU 11 CO -0.52 0.80 -0.04 -0.24 -1.00 0.00 0.00 179.01 178.02 2abd h VAL 12 N -0.92 0.87 0.00 3.13 3.04 -0.21 -0.73 116.25 121.42 2abd h VAL 12 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2abd h VAL 12 Cb 0.82 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2abd h VAL 12 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.57 178.85 2abd n LYS 13 N -5.16 0.00 0.00 4.17 -0.00 0.12 -2.97 118.16 114.32 2abd n LYS 13 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2abd n LYS 13 Cb 0.09 -1.22 0.00 0.00 -0.00 0.00 0.00 35.03 33.91 2abd n LYS 13 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2abd n HIS 14 N -0.69 0.00 0.00 5.58 -0.00 -0.85 -5.07 115.22 114.19 2abd n HIS 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2abd n HIS 14 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2abd n HIS 14 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2abd n LEU 15 N -1.79 0.00 0.00 2.39 4.77 -0.34 -4.59 117.00 117.44 2abd n LEU 15 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2abd n LEU 15 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2abd n LEU 15 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.23 2abd n LYS 16 N 0.00 0.00 -1.49 3.23 4.81 0.40 -4.46 118.16 120.65 2abd n LYS 16 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 2abd n LYS 16 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 2abd n LYS 16 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2abd n THR 17 N -1.71 0.00 -3.30 3.15 -1.04 -1.24 -5.07 114.28 105.06 2abd n THR 17 Ca 0.00 -0.58 -0.43 0.00 -2.04 0.00 0.00 64.05 61.00 2abd n THR 17 Cb 0.00 -0.99 -0.01 0.00 -1.82 0.00 0.00 70.33 67.52 2abd n THR 17 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2abd n LYS 18 N -1.48 3.64 -1.53 -2.82 0.00 -1.26 -5.05 118.16 109.66 2abd n LYS 18 Ca 0.05 -4.49 -0.44 0.00 0.00 0.00 0.00 58.31 53.43 2abd n LYS 18 Cb 0.19 -2.51 -0.01 0.00 0.00 0.00 0.00 35.03 32.70 2abd n LYS 18 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2abd n PRO 19 N 2.24 0.95 -1.42 1.64 -0.02 -1.26 -4.92 135.00 132.21 2abd n PRO 19 Ca 0.24 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 2abd n PRO 19 Cb 0.37 -1.65 0.09 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.17 2.11 0.10 3.55 0.00 -1.26 -4.72 121.76 120.37 2abd s ALA 20 Ca 0.61 0.89 -0.33 0.00 0.00 0.00 0.00 51.96 53.13 2abd s ALA 20 Cb -0.70 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 18.81 2abd s ALA 20 CO 0.59 -1.90 1.53 -0.44 0.00 0.00 0.00 175.76 175.54 2abd h ASP 21 N -0.31 -1.57 -0.53 0.00 3.32 -1.99 -0.88 116.42 114.46 2abd h ASP 21 Ca -0.48 0.17 0.10 0.00 0.02 0.00 0.00 57.03 56.84 2abd h ASP 21 Cb 1.30 0.59 -0.11 0.00 0.22 0.00 0.00 39.33 41.33 2abd h ASP 21 CO 0.50 -0.51 -0.33 -0.33 -1.72 0.00 0.00 179.24 176.85 2abd h GLU 22 N -0.67 -0.18 -0.39 3.56 5.08 -1.98 0.52 114.58 120.52 2abd h GLU 22 Ca 0.01 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 2abd h GLU 22 Cb 0.70 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.90 2abd h GLU 22 CO -0.32 -0.12 -0.32 0.93 -1.00 0.00 0.00 179.01 178.17 2abd h GLU 23 N -0.19 -0.24 -0.26 2.33 5.08 -1.63 0.70 114.58 120.37 2abd h GLU 23 Ca 0.21 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2abd h GLU 23 Cb 0.54 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2abd h GLU 23 CO -0.63 -0.16 0.17 0.52 -1.00 0.00 0.00 179.01 177.90 2abd h MET 24 N -0.25 0.33 -0.60 2.33 2.86 0.26 -2.99 114.93 116.87 2abd h MET 24 Ca 0.17 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.89 2abd h MET 24 Cb 0.54 -0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.01 2abd h MET 24 CO -0.53 0.22 -0.38 -0.07 1.06 0.00 0.00 176.91 177.21 2abd h LEU 25 N 0.34 -1.30 0.00 1.22 3.38 0.14 0.18 115.31 119.27 2abd h LEU 25 Ca 0.09 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2abd h LEU 25 Cb -0.04 0.62 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2abd h LEU 25 CO -0.02 -0.32 0.00 0.33 0.09 0.00 0.00 178.44 178.52 2abd n PHE 26 N -5.43 0.00 -0.12 1.13 7.35 0.10 0.15 117.46 120.63 2abd n PHE 26 Ca 0.03 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.68 2abd n PHE 26 Cb 0.36 -0.50 -0.04 0.00 0.35 0.00 0.00 39.48 39.65 2abd n PHE 26 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2abd h ILE 27 N 0.00 0.00 -0.25 -2.13 5.03 -1.31 -1.60 117.51 117.25 2abd h ILE 27 Ca 0.00 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.77 2abd h ILE 27 Cb 0.00 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 33.74 2abd h ILE 27 CO 0.00 0.00 -0.38 0.22 -0.68 0.00 0.00 178.15 177.31 2abd h TYR 28 N -0.05 -1.15 -0.45 1.37 3.20 -0.42 0.53 116.97 120.01 2abd h TYR 28 Ca 0.05 0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.03 2abd h TYR 28 Cb 0.18 0.53 -0.09 0.00 1.54 0.00 0.00 36.73 38.90 2abd h TYR 28 CO -0.86 -0.34 -0.54 0.66 -1.64 0.00 0.00 178.16 175.43 2abd h SER 29 N -0.29 -1.83 0.19 -2.11 4.64 -0.10 0.17 113.55 114.22 2abd h SER 29 Ca 0.04 0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 2abd h SER 29 Cb 0.41 0.76 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2abd h SER 29 CO -0.39 -0.39 -0.09 0.45 -0.87 0.00 0.00 176.83 175.54 2abd h HIS 30 N -0.37 -0.24 -0.17 4.77 3.86 -1.14 -1.99 115.15 119.88 2abd h HIS 30 Ca 0.09 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2abd h HIS 30 Cb 0.59 0.08 -0.04 0.00 1.06 0.00 0.00 27.41 29.10 2abd h HIS 30 CO -0.73 -0.04 -0.28 -0.92 0.86 0.00 0.00 177.93 176.82 2abd h TYR 31 N -0.39 -0.84 -0.83 2.45 3.20 0.69 0.25 116.97 121.51 2abd h TYR 31 Ca -0.03 0.04 0.18 0.00 3.14 0.00 0.00 58.73 62.06 2abd h TYR 31 Cb 0.30 0.39 -0.15 0.00 1.54 0.00 0.00 36.73 38.81 2abd h TYR 31 CO -0.02 -0.25 -0.15 0.87 -1.64 0.00 0.00 178.16 176.97 2abd h LYS 32 N -0.22 0.02 0.02 1.82 1.79 -0.70 0.28 116.57 119.58 2abd h LYS 32 Ca 0.03 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2abd h LYS 32 Cb 0.31 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2abd h LYS 32 CO -0.28 0.01 -0.01 1.96 -1.08 0.00 0.00 179.45 180.06 2abd h GLN 33 N 0.02 -0.03 -0.27 3.15 1.08 -0.20 0.27 115.11 119.13 2abd h GLN 33 Ca 0.42 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.68 2abd h GLN 33 Cb 0.68 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2abd h GLN 33 CO -0.82 0.03 0.19 0.00 -0.95 0.00 0.00 178.83 177.27 2abd h ALA 34 N 0.91 2.17 0.00 3.87 0.00 0.21 -3.11 119.26 123.31 2abd h ALA 34 Ca -0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 2abd h ALA 34 Cb 0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2abd h ALA 34 CO 0.00 -0.24 -1.67 0.25 0.00 0.00 0.00 179.25 177.59 2abd n THR 35 N -4.47 0.87 -0.09 0.00 -2.24 0.72 -4.84 114.28 104.22 2abd n THR 35 Ca 0.03 -0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.47 2abd n THR 35 Cb 0.31 -1.73 -0.12 0.00 -2.10 0.00 0.00 70.33 66.69 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 -0.52 1.19 0.00 2.28 2.07 -0.76 -3.51 116.25 117.01 2abd h VAL 36 Ca -0.33 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 64.97 2abd h VAL 36 Cb 1.23 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 2abd h VAL 36 CO -0.20 0.40 0.00 0.61 0.02 0.00 0.00 177.57 178.40 2abd n GLY 37 N 1.49 0.15 3.77 2.17 0.00 0.29 -5.01 105.19 108.06 2abd n GLY 37 Ca -0.25 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 5.19 -0.51 1.61 1.11 -1.26 -3.51 116.67 115.29 2abd s ASP 38 Ca 0.00 2.08 -0.27 0.00 0.18 0.00 0.00 52.55 54.54 2abd s ASP 38 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 2abd s ASP 38 CO 0.00 -1.58 2.09 -0.51 1.18 0.00 0.00 175.17 176.35 2abd s ILE 39 N -2.16 3.21 -0.25 0.77 2.07 -1.26 -4.85 121.20 118.72 2abd s ILE 39 Ca 0.69 0.14 0.11 0.00 -1.41 0.00 0.00 60.65 60.18 2abd s ILE 39 Cb -0.22 -3.49 0.46 0.00 0.13 0.00 0.00 42.46 39.33 2abd s ILE 39 CO 0.38 -0.46 1.19 -0.46 -1.91 0.00 0.00 174.94 173.68 2abd n ASN 40 N 13.70 3.60 -0.13 4.50 0.23 -1.26 -4.62 115.26 131.28 2abd n ASN 40 Ca 0.28 -3.50 -0.26 0.00 -0.53 0.00 0.00 54.58 50.57 2abd n ASN 40 Cb 0.52 -0.40 -0.10 0.00 -2.08 0.00 0.00 39.78 37.72 2abd n ASN 40 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2abd n THR 41 N -0.73 1.53 0.00 5.53 -2.24 -1.26 -5.09 114.28 112.01 2abd n THR 41 Ca 0.32 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2abd n THR 41 Cb 0.89 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 2abd n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2abd n GLU 42 N -4.32 0.00 -1.90 -0.78 1.02 -1.26 -5.06 120.64 108.34 2abd n GLU 42 Ca -0.46 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.26 2abd n GLU 42 Cb 0.80 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.19 2abd n GLU 42 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2abd s ARG 43 N -4.45 4.18 0.87 3.49 3.52 -1.26 -4.98 118.95 120.31 2abd s ARG 43 Ca 0.00 2.34 -0.19 0.00 -0.13 0.00 0.00 55.73 57.75 2abd s ARG 43 Cb 0.00 -3.86 -0.12 0.00 -1.56 0.00 0.00 34.95 29.42 2abd s ARG 43 CO 0.00 -0.82 -0.99 -2.30 -0.81 0.00 0.00 175.30 170.38 2abd n PRO 44 N 6.56 -0.16 0.06 5.12 -0.02 -1.26 -5.05 135.00 140.25 2abd n PRO 44 Ca 0.17 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2abd n PRO 44 Cb 0.41 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 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 3.25 -0.13 0.09 -1.23 0.00 -1.26 -4.94 105.19 100.96 2abd n GLY 45 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 2abd n GLY 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2abd n MET 46 N -3.03 0.51 -1.61 1.61 0.00 -1.26 -4.56 117.12 108.79 2abd n MET 46 Ca 0.00 0.26 -0.39 0.00 -0.00 0.00 0.00 57.70 57.57 2abd n MET 46 Cb 0.05 -1.46 -0.02 0.00 0.00 0.00 0.00 33.22 31.79 2abd n MET 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2abd n LEU 47 N -4.46 8.38 0.00 -0.89 7.99 -1.26 -4.72 117.00 122.05 2abd n LEU 47 Ca -0.13 -4.58 0.00 0.00 -0.01 0.00 0.00 56.01 51.29 2abd n LEU 47 Cb 0.47 -1.47 0.00 0.00 -0.11 0.00 0.00 43.42 42.32 2abd n LEU 47 CO 0.19 2.06 0.27 0.47 -1.51 0.00 0.00 177.39 178.87 2abd n ASP 48 N 2.70 0.00 0.00 -1.43 9.92 -1.26 -3.57 116.55 122.92 2abd n ASP 48 Ca 0.71 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 55.57 2abd n ASP 48 Cb 0.25 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 2abd n ASP 48 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2abd n PHE 49 N -1.21 0.00 -0.78 1.24 1.16 -1.26 0.27 117.46 116.87 2abd n PHE 49 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.48 2abd n PHE 49 Cb 0.00 0.00 0.23 0.00 -1.61 0.00 0.00 39.48 38.10 2abd n PHE 49 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2abd n LYS 50 N -0.34 2.99 -0.02 3.97 4.76 -1.26 -3.33 118.16 124.93 2abd n LYS 50 Ca 0.00 -2.62 -0.04 0.00 -2.87 0.00 0.00 58.31 52.79 2abd n LYS 50 Cb 0.00 -2.07 -0.01 0.00 -1.84 0.00 0.00 35.03 31.11 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2abd n GLY 51 N -0.32 -0.27 0.42 0.72 0.00 0.85 -4.64 105.19 101.95 2abd n GLY 51 Ca 0.40 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 2abd n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2abd h LYS 52 N -0.40 -0.06 0.00 1.61 1.57 -0.30 -2.72 116.57 116.28 2abd h LYS 52 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2abd h LYS 52 Cb 0.40 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2abd h LYS 52 CO 0.00 -0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.84 2abd n ALA 53 N -3.26 0.00 0.20 3.86 0.00 -1.21 0.29 120.51 120.38 2abd n ALA 53 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 2abd n ALA 53 Cb 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.64 -0.02 0.00 1.79 -1.79 0.25 116.57 116.16 2abd h LYS 54 Ca 0.00 0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2abd h LYS 54 Cb 0.00 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 2abd h LYS 54 CO 0.00 -0.43 -0.35 2.35 -1.08 0.00 0.00 179.45 179.95 2abd h TRP 55 N -0.66 -1.02 -0.12 -1.35 7.01 0.43 0.07 115.95 120.31 2abd h TRP 55 Ca -0.01 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.07 2abd h TRP 55 Cb 0.62 0.45 -0.06 0.00 -2.10 0.00 0.00 29.16 28.06 2abd h TRP 55 CO -0.21 -0.36 -0.33 -0.44 -2.79 0.00 0.00 178.44 174.31 2abd h ASP 56 N -0.42 -1.01 -0.37 2.65 5.19 0.04 0.36 116.42 122.86 2abd h ASP 56 Ca 0.01 0.15 0.08 0.00 -0.62 0.00 0.00 57.03 56.65 2abd h ASP 56 Cb 0.46 0.43 -0.08 0.00 0.18 0.00 0.00 39.33 40.31 2abd h ASP 56 CO -0.24 -0.37 -0.19 0.00 -3.12 0.00 0.00 179.24 175.32 2abd h ALA 57 N 0.39 0.07 0.24 3.45 0.00 -0.18 0.34 119.26 123.57 2abd h ALA 57 Ca 0.09 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2abd h ALA 57 Cb 0.55 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2abd h ALA 57 CO -0.35 -0.57 -0.12 2.35 0.00 0.00 0.00 179.25 180.57 2abd h TRP 58 N -0.13 -0.30 -0.70 0.00 7.01 -0.40 -3.05 115.95 118.38 2abd h TRP 58 Ca 0.18 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.31 2abd h TRP 58 Cb 0.41 0.10 -0.13 0.00 -2.10 0.00 0.00 29.16 27.44 2abd h TRP 58 CO -0.42 -0.03 -0.23 -0.97 -2.79 0.00 0.00 178.44 174.00 2abd h ASN 59 N -0.55 -0.83 -1.90 2.65 -1.24 0.38 0.12 115.58 114.21 2abd h ASN 59 Ca -0.03 0.22 0.55 0.00 0.71 0.00 0.00 56.30 57.75 2abd h ASN 59 Cb 0.40 0.50 -0.08 0.00 0.73 0.00 0.00 38.32 39.87 2abd h ASN 59 CO 0.05 -0.26 1.38 -0.08 -1.29 0.00 0.00 177.43 177.23 2abd h GLU 60 N -0.05 0.00 0.16 6.67 4.81 -0.23 0.47 114.58 126.42 2abd h GLU 60 Ca 0.32 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.26 2abd h GLU 60 Cb 0.54 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.94 2abd h GLU 60 CO -0.74 0.00 -1.30 -0.07 -0.73 0.00 0.00 179.01 176.17 2abd h LEU 61 N 0.00 0.61 -0.11 1.64 3.38 -0.81 -3.47 115.31 116.55 2abd h LEU 61 Ca 0.90 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2abd h LEU 61 Cb 3.65 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 44.20 2abd h LEU 61 CO -0.01 1.48 0.02 1.17 0.09 0.00 0.00 178.44 181.19 2abd n LYS 62 N -3.63 0.00 0.00 1.13 0.00 0.17 0.80 118.16 116.62 2abd n LYS 62 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.20 2abd n LYS 62 Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 36.05 2abd n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2abd n GLY 63 N 0.07 1.92 3.89 3.14 0.00 -1.26 -5.08 105.19 107.87 2abd n GLY 63 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2abd n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2abd s THR 64 N -2.00 4.84 0.08 2.61 2.01 0.24 -4.95 115.64 118.46 2abd s THR 64 Ca 0.00 0.43 -0.31 0.00 0.31 0.00 0.00 61.69 62.12 2abd s THR 64 Cb 0.00 -3.83 -0.10 0.00 0.01 0.00 0.00 72.50 68.58 2abd s THR 64 CO 0.00 -0.82 1.92 -0.24 -0.69 0.00 0.00 174.62 174.79 2abd n SER 65 N -2.11 4.14 -0.40 3.53 2.88 -1.26 -4.76 113.62 115.63 2abd n SER 65 Ca 0.02 0.94 0.33 0.00 -1.33 0.00 0.00 58.87 58.82 2abd n SER 65 Cb 0.55 -1.54 0.62 0.00 -0.75 0.00 0.00 64.21 63.09 2abd n SER 65 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2abd h LYS 66 N 9.76 0.17 0.06 -1.46 3.64 -1.91 0.30 116.57 127.12 2abd h LYS 66 Ca -0.48 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.78 2abd h LYS 66 Cb 1.23 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2abd h LYS 66 CO 0.94 0.11 -0.48 0.93 -2.27 0.00 0.00 179.45 178.68 2abd h GLU 67 N 0.18 0.13 -0.41 1.90 5.08 -1.88 -3.24 114.58 116.33 2abd h GLU 67 Ca 0.72 -0.22 0.09 0.00 -1.00 0.00 0.00 59.36 58.95 2abd h GLU 67 Cb 2.24 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 31.48 2abd h GLU 67 CO -0.30 1.10 -0.25 -0.44 -1.00 0.00 0.00 179.01 178.12 2abd h ASP 68 N -0.72 -0.83 -0.80 1.42 3.32 -0.86 0.13 116.42 118.08 2abd h ASP 68 Ca -0.10 0.17 0.16 0.00 0.02 0.00 0.00 57.03 57.29 2abd h ASP 68 Cb 1.31 0.42 -0.15 0.00 0.22 0.00 0.00 39.33 41.13 2abd h ASP 68 CO 0.05 -0.27 -0.20 0.00 -1.72 0.00 0.00 179.24 177.10 2abd h ALA 69 N 1.02 0.53 0.49 3.45 0.00 -1.10 0.28 119.26 123.94 2abd h ALA 69 Ca 0.20 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 2abd h ALA 69 Cb 0.48 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2abd h ALA 69 CO -0.52 -0.40 -0.24 0.52 0.00 0.00 0.00 179.25 178.61 2abd h MET 70 N 0.00 -0.64 -0.22 0.00 2.86 -1.01 0.14 114.93 116.07 2abd h MET 70 Ca 0.39 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 58.11 2abd h MET 70 Cb 0.59 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 32.32 2abd h MET 70 CO -0.82 -0.33 -0.55 1.57 1.06 0.00 0.00 176.91 177.84 2abd h LYS 71 N -0.96 -0.51 -0.44 1.72 2.10 -0.29 -0.24 116.57 117.96 2abd h LYS 71 Ca -0.07 0.03 0.04 0.00 -2.00 0.00 0.00 60.65 58.66 2abd h LYS 71 Cb 0.60 0.12 -0.06 0.00 -0.90 0.00 0.00 32.23 31.98 2abd h LYS 71 CO 0.11 -0.34 -0.38 0.00 -2.00 0.00 0.00 179.45 176.85 2abd h ALA 72 N -0.21 -0.50 -0.49 0.07 0.00 -0.48 0.26 119.26 117.90 2abd h ALA 72 Ca 0.05 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2abd h ALA 72 Cb 0.66 1.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.49 2abd h ALA 72 CO -0.49 -0.72 -0.29 0.98 0.00 0.00 0.00 179.25 178.73 2abd n TYR 73 N -4.46 -0.22 0.37 0.00 9.36 0.49 0.11 117.16 122.81 2abd n TYR 73 Ca -0.01 0.61 -0.16 0.00 3.32 0.00 0.00 57.90 61.66 2abd n TYR 73 Cb 0.20 -0.50 -0.08 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 0.14 -1.69 2.97 2.04 -0.59 0.21 117.51 120.60 2abd h ILE 74 Ca 0.08 -0.24 0.51 0.00 1.00 0.00 0.00 64.86 66.20 2abd h ILE 74 Cb 0.20 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.38 2abd h ILE 74 CO -0.46 0.02 1.19 0.47 0.00 0.00 0.00 178.15 179.37 2abd n ASP 75 N -5.43 0.04 -0.13 1.72 9.92 0.85 -0.38 116.55 123.15 2abd n ASP 75 Ca -0.13 0.99 -0.25 0.00 -0.53 0.00 0.00 54.79 54.88 2abd n ASP 75 Cb 0.39 -0.49 -0.11 0.00 -0.64 0.00 0.00 41.12 40.27 2abd n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2abd n LYS 76 N -3.94 0.61 -0.30 -1.24 4.01 0.12 -4.55 118.16 112.87 2abd n LYS 76 Ca 0.40 0.22 0.15 0.00 -0.51 0.00 0.00 58.31 58.56 2abd n LYS 76 Cb 1.76 -1.49 0.29 0.00 -0.51 0.00 0.00 35.03 35.08 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2abd n VAL 77 N -3.86 -0.36 -0.20 -0.18 0.31 0.73 -0.99 118.33 113.79 2abd n VAL 77 Ca -0.51 1.88 0.12 0.00 -0.01 0.00 0.00 64.34 65.82 2abd n VAL 77 Cb 0.92 -2.78 0.23 0.00 -0.91 0.00 0.00 33.84 31.30 2abd n VAL 77 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2abd n GLU 78 N -5.21 -0.04 0.23 5.55 -0.58 -1.01 0.17 120.64 119.75 2abd n GLU 78 Ca 0.22 0.85 -0.15 0.00 -0.42 0.00 0.00 57.16 57.66 2abd n GLU 78 Cb 0.73 -1.42 -0.08 0.00 -0.57 0.00 0.00 31.44 30.10 2abd n GLU 78 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2abd h GLU 79 N 0.00 -0.50 -0.71 3.49 4.39 -1.39 -1.88 114.58 117.97 2abd h GLU 79 Ca 0.41 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.20 2abd h GLU 79 Cb 0.94 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.65 2abd h GLU 79 CO -0.52 -0.31 0.41 -0.07 -1.16 0.00 0.00 179.01 177.37 2abd h LEU 80 N -0.57 0.62 -2.64 1.33 3.38 0.15 0.34 115.31 117.91 2abd h LEU 80 Ca -0.05 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2abd h LEU 80 Cb 0.43 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2abd h LEU 80 CO 0.09 0.40 -0.01 0.50 0.09 0.00 0.00 178.44 179.51 2abd h LYS 81 N 0.76 0.00 0.01 1.13 3.64 -0.53 0.23 116.57 121.80 2abd h LYS 81 Ca 0.32 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 59.28 2abd h LYS 81 Cb 0.18 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 2abd h LYS 81 CO -0.18 0.01 -2.45 1.63 -2.27 0.00 0.00 179.45 176.19 2abd n LYS 82 N -3.27 0.62 -0.03 1.90 5.02 0.15 -3.66 118.16 118.89 2abd n LYS 82 Ca -0.03 0.22 -0.16 0.00 -2.02 0.00 0.00 58.31 56.33 2abd n LYS 82 Cb 0.11 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.51 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2abd h LYS 83 N -0.48 0.49 0.00 1.97 3.64 -0.38 -3.41 116.57 118.40 2abd h LYS 83 Ca -0.62 -0.39 -0.35 0.00 -1.27 0.00 0.00 60.65 58.02 2abd h LYS 83 Cb 1.76 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.61 2abd h LYS 83 CO -0.24 1.02 -2.14 0.66 -2.27 0.00 0.00 179.45 176.48 2abd n TYR 84 N -4.27 0.00 0.00 1.91 4.01 0.53 -4.96 117.16 114.38 2abd n TYR 84 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2abd n TYR 84 Cb 0.58 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 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 1.68 0.48 0.91 2.72 0.00 0.34 -3.73 105.19 107.60 2abd n GLY 85 Ca -0.41 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.12 2abd n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83