#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2abd s GLN 2 N 0.00 3.55 0.00 -1.46 2.00 -1.26 -5.13 119.66 117.36 2abd s GLN 2 Ca 0.00 -0.19 0.00 0.00 -2.00 0.00 0.00 55.36 53.17 2abd s GLN 2 Cb 0.00 -2.68 0.00 0.00 0.80 0.00 0.00 33.01 31.13 2abd s GLN 2 CO 0.00 0.20 0.00 0.00 -0.50 0.00 0.00 175.29 174.99 2abd n ALA 3 N -1.31 0.00 0.85 1.58 0.00 -1.26 -4.97 120.51 115.40 2abd n ALA 3 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2abd n ALA 3 Cb 0.55 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.20 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 2.28 -0.17 0.00 -0.00 -1.26 -4.58 120.64 116.91 2abd n GLU 4 Ca 0.00 -1.89 0.01 0.00 -0.00 0.00 0.00 57.16 55.29 2abd n GLU 4 Cb 0.00 -1.48 0.04 0.00 -0.00 0.00 0.00 31.44 30.01 2abd n GLU 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2abd n PHE 5 N 1.20 0.10 -0.25 -1.84 7.35 -1.26 0.25 117.46 123.02 2abd n PHE 5 Ca 0.16 0.55 -0.05 0.00 -0.76 0.00 0.00 57.45 57.36 2abd n PHE 5 Cb 0.56 -0.72 0.10 0.00 0.35 0.00 0.00 39.48 39.77 2abd n PHE 5 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2abd h ASP 6 N 0.00 1.01 -0.46 -2.13 3.32 -1.98 0.43 116.42 116.62 2abd h ASP 6 Ca 0.19 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.09 2abd h ASP 6 Cb 0.30 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2abd h ASP 6 CO -0.46 0.91 0.29 0.50 -1.72 0.00 0.00 179.24 178.76 2abd h LYS 7 N 1.07 0.57 0.11 3.56 1.63 0.31 0.28 116.57 124.09 2abd h LYS 7 Ca 0.24 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.03 2abd h LYS 7 Cb 0.23 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 2abd h LYS 7 CO -0.02 0.38 -0.29 0.00 -3.45 0.00 0.00 179.45 176.06 2abd h ALA 8 N 1.19 -0.50 -0.65 5.00 0.00 0.78 0.40 119.26 125.48 2abd h ALA 8 Ca 0.18 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.18 2abd h ALA 8 Cb -0.03 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 2abd h ALA 8 CO -0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 179.25 178.32 2abd h ALA 9 N 0.18 0.60 -0.48 0.00 0.00 0.66 0.32 119.26 120.54 2abd h ALA 9 Ca 0.03 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2abd h ALA 9 Cb 0.54 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2abd h ALA 9 CO -0.18 -0.41 0.12 0.93 0.00 0.00 0.00 179.25 179.72 2abd h GLU 10 N 0.09 0.77 0.51 0.00 4.39 0.61 0.24 114.58 121.18 2abd h GLU 10 Ca 0.34 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 2abd h GLU 10 Cb 0.55 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2abd h GLU 10 CO -0.58 0.75 -0.35 0.93 -1.16 0.00 0.00 179.01 178.60 2abd h GLU 11 N 0.66 -0.80 -0.08 2.33 4.39 0.15 -3.02 114.58 118.21 2abd h GLU 11 Ca 0.15 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 2abd h GLU 11 Cb 0.32 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2abd h GLU 11 CO 0.00 -0.53 0.04 -0.24 -1.16 0.00 0.00 179.01 177.11 2abd h VAL 12 N -0.83 1.13 0.00 3.13 3.04 -0.43 -2.55 116.25 119.74 2abd h VAL 12 Ca -0.06 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2abd h VAL 12 Cb 0.69 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2abd h VAL 12 CO 0.03 0.11 0.01 2.29 -1.01 0.00 0.00 177.57 179.00 2abd n LYS 13 N -4.95 0.00 -0.05 4.17 2.85 0.84 -2.55 118.16 118.47 2abd n LYS 13 Ca -0.06 0.02 -0.10 0.00 -1.05 0.00 0.00 58.31 57.12 2abd n LYS 13 Cb 0.10 -1.51 -0.04 0.00 -0.65 0.00 0.00 35.03 32.94 2abd n LYS 13 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2abd n HIS 14 N -0.90 0.00 0.00 5.58 1.44 -0.98 -5.01 115.22 115.35 2abd n HIS 14 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2abd n HIS 14 Cb 0.01 -0.38 0.00 0.00 0.12 0.00 0.00 29.99 29.74 2abd n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2abd n LEU 15 N -3.33 0.00 0.13 2.39 4.77 -1.06 -4.58 117.00 115.33 2abd n LEU 15 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2abd n LEU 15 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2abd n LEU 15 CO 0.03 0.00 0.45 1.17 -1.33 0.00 0.00 177.39 177.71 2abd n LYS 16 N 0.00 0.01 -1.09 3.23 0.00 -0.46 -4.49 118.16 115.36 2abd n LYS 16 Ca 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 58.31 58.61 2abd n LYS 16 Cb 0.00 -1.23 0.04 0.00 0.00 0.00 0.00 35.03 33.85 2abd n LYS 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2abd n THR 17 N -1.30 0.00 -2.99 3.15 -1.04 -1.25 -5.05 114.28 105.80 2abd n THR 17 Ca 0.00 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.05 61.14 2abd n THR 17 Cb 0.45 -1.36 0.01 0.00 -1.82 0.00 0.00 70.33 67.61 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 -1.64 4.48 -1.19 -2.82 3.00 -1.26 -5.06 118.16 113.66 2abd n LYS 18 Ca 0.05 -4.58 -0.47 0.00 -0.00 0.00 0.00 58.31 53.31 2abd n LYS 18 Cb 0.18 -2.49 -0.06 0.00 0.00 0.00 0.00 35.03 32.66 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 1.15 0.00 -1.58 1.64 -0.02 -1.26 -4.89 135.00 130.04 2abd n PRO 19 Ca 0.28 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 2abd n PRO 19 Cb 0.33 -1.19 0.06 0.00 -0.02 0.00 0.00 33.50 32.68 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 0.10 2.42 0.07 3.55 0.00 -1.26 -4.76 121.76 121.88 2abd s ALA 20 Ca 0.72 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.88 2abd s ALA 20 Cb -1.01 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 18.75 2abd s ALA 20 CO 0.46 -1.42 1.33 0.22 0.00 0.00 0.00 175.76 176.34 2abd h ASP 21 N -0.43 -1.06 0.17 0.00 1.82 -1.99 -0.25 116.42 114.67 2abd h ASP 21 Ca -0.45 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 2abd h ASP 21 Cb 1.24 0.42 -0.03 0.00 0.68 0.00 0.00 39.33 41.64 2abd h ASP 21 CO 0.53 -0.27 -0.38 -0.33 -1.61 0.00 0.00 179.24 177.18 2abd h GLU 22 N -0.31 -0.58 -0.96 0.28 5.08 -1.98 0.26 114.58 116.37 2abd h GLU 22 Ca 0.03 0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.61 2abd h GLU 22 Cb 0.39 0.13 -0.18 0.00 0.50 0.00 0.00 28.75 29.59 2abd h GLU 22 CO -0.29 -0.39 -0.26 0.39 -1.00 0.00 0.00 179.01 177.46 2abd n GLU 23 N -4.65 -0.11 0.03 2.33 4.71 -1.06 -0.14 120.64 121.76 2abd n GLU 23 Ca -0.07 1.50 -0.12 0.00 -0.01 0.00 0.00 57.16 58.46 2abd n GLU 23 Cb 0.31 -2.24 -0.08 0.00 -1.01 0.00 0.00 31.44 28.42 2abd n GLU 23 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 2abd h MET 24 N 0.00 -0.03 -0.97 3.49 2.86 -0.37 -3.08 114.93 116.83 2abd h MET 24 Ca 0.45 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 58.28 2abd h MET 24 Cb 0.69 0.01 -0.18 0.00 0.06 0.00 0.00 31.60 32.17 2abd h MET 24 CO -0.99 0.16 -0.25 -0.07 1.06 0.00 0.00 176.91 176.82 2abd h LEU 25 N -0.21 -0.93 0.04 1.22 3.38 0.30 0.28 115.31 119.39 2abd h LEU 25 Ca -0.00 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2abd h LEU 25 Cb 0.20 0.61 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2abd h LEU 25 CO 0.00 -0.32 -0.16 0.15 0.09 0.00 0.00 178.44 178.21 2abd h PHE 26 N -0.00 -0.45 -0.38 1.13 3.57 -1.17 0.32 116.94 119.96 2abd h PHE 26 Ca 0.46 0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.04 2abd h PHE 26 Cb 0.71 0.19 -0.09 0.00 2.79 0.00 0.00 35.95 39.55 2abd h PHE 26 CO -0.76 -0.18 -0.38 0.82 -2.23 0.00 0.00 178.31 175.58 2abd h ILE 27 N -0.23 0.16 0.11 1.41 5.03 -1.10 -1.00 117.51 121.90 2abd h ILE 27 Ca -0.00 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.75 2abd h ILE 27 Cb 0.23 0.16 -0.05 0.00 -3.03 0.00 0.00 36.82 34.13 2abd h ILE 27 CO -0.08 0.00 -0.47 0.22 -0.68 0.00 0.00 178.15 177.14 2abd h TYR 28 N -0.31 -1.33 0.10 1.37 3.20 -0.23 0.67 116.97 120.44 2abd h TYR 28 Ca 0.15 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2abd h TYR 28 Cb 0.57 0.57 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 2abd h TYR 28 CO -0.57 -0.55 -0.27 0.66 -1.64 0.00 0.00 178.16 175.79 2abd h SER 29 N -0.69 -0.78 -0.63 -2.11 4.64 -0.09 0.31 113.55 114.19 2abd h SER 29 Ca 0.01 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 2abd h SER 29 Cb 0.72 0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 2abd h SER 29 CO -0.27 -0.30 0.37 0.45 -0.87 0.00 0.00 176.83 176.21 2abd h HIS 30 N -0.41 0.84 0.23 4.77 3.86 -1.18 -0.27 115.15 122.99 2abd h HIS 30 Ca -0.01 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2abd h HIS 30 Cb 0.40 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 2abd h HIS 30 CO -0.33 0.58 -0.17 -0.92 0.86 0.00 0.00 177.93 177.96 2abd h TYR 31 N 0.86 -0.46 -0.93 2.45 3.20 0.63 0.51 116.97 123.23 2abd h TYR 31 Ca 0.22 -0.00 0.26 0.00 3.14 0.00 0.00 58.73 62.35 2abd h TYR 31 Cb -0.00 0.17 -0.16 0.00 1.54 0.00 0.00 36.73 38.27 2abd h TYR 31 CO -0.02 -0.24 0.13 0.87 -1.64 0.00 0.00 178.16 177.26 2abd h LYS 32 N -0.38 0.08 -0.07 1.82 1.79 -0.33 0.13 116.57 119.61 2abd h LYS 32 Ca -0.03 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 2abd h LYS 32 Cb 0.32 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2abd h LYS 32 CO 0.01 0.05 -0.13 0.37 -1.08 0.00 0.00 179.45 178.67 2abd h GLN 33 N 0.08 0.21 -0.34 3.15 5.75 -0.63 0.14 115.11 123.46 2abd h GLN 33 Ca 0.58 -0.13 0.07 0.00 -0.15 0.00 0.00 58.65 59.02 2abd h GLN 33 Cb 1.22 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 2abd h GLN 33 CO -0.80 0.72 0.24 0.00 -2.65 0.00 0.00 178.83 176.34 2abd h ALA 34 N 0.49 2.12 0.00 3.38 0.00 0.20 -1.67 119.26 123.78 2abd h ALA 34 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2abd h ALA 34 Cb 0.71 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2abd h ALA 34 CO 0.03 -0.20 -1.27 0.25 0.00 0.00 0.00 179.25 178.06 2abd n THR 35 N -4.47 1.49 -0.04 0.00 -2.24 0.26 -4.84 114.28 104.45 2abd n THR 35 Ca 0.04 0.02 -0.03 0.00 -2.27 0.00 0.00 64.05 61.82 2abd n THR 35 Cb 0.31 -2.22 -0.01 0.00 -2.10 0.00 0.00 70.33 66.31 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 -1.00 0.00 0.00 2.28 2.07 -0.98 -3.51 116.25 115.11 2abd h VAL 36 Ca -0.19 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2abd h VAL 36 Cb 1.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2abd h VAL 36 CO -0.12 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.08 2abd n GLY 37 N 1.68 1.12 3.48 2.17 0.00 0.24 -4.95 105.19 108.93 2abd n GLY 37 Ca -0.04 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 6.26 0.00 1.61 1.11 -1.26 -3.75 116.67 116.64 2abd s ASP 38 Ca 0.00 -0.70 0.00 0.00 0.18 0.00 0.00 52.55 52.03 2abd s ASP 38 Cb 0.00 -2.38 0.00 0.00 1.07 0.00 0.00 42.92 41.61 2abd s ASP 38 CO 0.00 -1.17 0.00 0.00 1.18 0.00 0.00 175.17 175.18 2abd n ILE 39 N 5.94 0.00 -2.02 0.77 3.06 -1.26 -4.84 119.36 121.00 2abd n ILE 39 Ca -0.02 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.96 2abd n ILE 39 Cb 0.46 0.00 0.02 0.00 0.54 0.00 0.00 39.64 40.67 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 5.37 0.00 9.51 6.94 -1.26 -4.65 115.26 131.18 2abd n ASN 40 Ca 0.00 -3.75 0.00 0.00 -0.02 0.00 0.00 54.58 50.81 2abd n ASN 40 Cb 0.00 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 36.94 2abd n ASN 40 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2abd n THR 41 N -0.68 0.00 0.00 5.53 -2.24 -1.26 -5.16 114.28 110.47 2abd n THR 41 Ca 0.46 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 2abd n THR 41 Cb 0.83 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 2abd n THR 41 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2abd n GLU 42 N -1.27 0.00 -2.46 -0.78 0.28 -1.26 -5.10 120.64 110.04 2abd n GLU 42 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 2abd n GLU 42 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 2abd n GLU 42 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2abd s ARG 43 N -3.09 3.27 0.37 3.44 3.52 -1.26 -4.89 118.95 120.32 2abd s ARG 43 Ca 0.00 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 2abd s ARG 43 Cb 0.00 -4.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 2abd s ARG 43 CO 0.00 -2.00 0.00 -2.30 -0.81 0.00 0.00 175.30 170.19 2abd n PRO 44 N 8.86 2.00 -1.50 5.12 -0.02 -1.26 -4.91 135.00 143.29 2abd n PRO 44 Ca 0.09 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.18 2abd n PRO 44 Cb 0.49 -0.74 0.03 0.00 -0.02 0.00 0.00 33.50 33.26 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 2.23 -1.21 0.23 -1.23 0.00 -1.26 -4.84 105.19 99.09 2abd n GLY 45 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.04 -0.17 -0.10 1.61 2.81 -1.26 -2.53 117.12 117.45 2abd n MET 46 Ca 0.12 0.88 -0.17 0.00 -1.81 0.00 0.00 57.70 56.72 2abd n MET 46 Cb 0.45 -1.30 -0.08 0.00 -0.71 0.00 0.00 33.22 31.59 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 -4.81 1.87 0.00 4.03 4.77 -1.26 -4.90 117.00 116.70 2abd n LEU 47 Ca 0.05 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2abd n LEU 47 Cb 0.21 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 2abd n LEU 47 CO -0.08 0.05 0.00 -0.67 -1.33 0.00 0.00 177.39 175.36 2abd n ASP 48 N -4.46 0.00 -0.09 -1.43 2.03 -1.05 -4.74 116.55 106.81 2abd n ASP 48 Ca -0.27 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.02 2abd n ASP 48 Cb 0.57 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.95 2abd n ASP 48 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2abd n PHE 49 N 0.00 -0.10 0.28 -0.67 3.01 -1.26 -0.88 117.46 117.84 2abd n PHE 49 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.73 2abd n PHE 49 Cb 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 2abd n PHE 49 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2abd n LYS 50 N -3.38 0.03 0.01 -1.08 4.81 -1.26 -0.00 118.16 117.28 2abd n LYS 50 Ca 0.00 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2abd n LYS 50 Cb 0.06 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 32.69 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2abd n GLY 51 N -1.41 -0.01 0.39 3.14 0.00 -0.06 -4.67 105.19 102.57 2abd n GLY 51 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 2abd n GLY 51 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2abd h LYS 52 N 0.00 0.21 0.61 1.61 3.11 -0.85 0.13 116.57 121.38 2abd h LYS 52 Ca 0.00 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.80 2abd h LYS 52 Cb 0.66 -0.05 0.01 0.00 -1.00 0.00 0.00 32.23 31.85 2abd h LYS 52 CO 0.00 0.14 -0.29 0.00 -2.81 0.00 0.00 179.45 176.48 2abd h ALA 53 N 1.67 -0.81 -0.25 5.00 0.00 -0.61 0.62 119.26 124.87 2abd h ALA 53 Ca 0.33 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2abd h ALA 53 Cb 1.00 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 2abd h ALA 53 CO -0.06 -0.90 -0.36 0.87 0.00 0.00 0.00 179.25 178.80 2abd h LYS 54 N -0.93 -0.35 -0.15 0.00 6.56 -1.21 0.24 116.57 120.72 2abd h LYS 54 Ca -0.08 0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.56 2abd h LYS 54 Cb 0.66 0.08 -0.06 0.00 -0.57 0.00 0.00 32.23 32.34 2abd h LYS 54 CO 0.14 -0.23 -0.54 2.35 -2.06 0.00 0.00 179.45 179.11 2abd h TRP 55 N -0.36 -1.60 -0.25 -1.35 7.01 -0.61 0.13 115.95 118.90 2abd h TRP 55 Ca 0.12 0.06 0.05 0.00 2.11 0.00 0.00 58.89 61.23 2abd h TRP 55 Cb 0.57 0.72 -0.05 0.00 -2.10 0.00 0.00 29.16 28.30 2abd h TRP 55 CO -0.49 -0.53 -0.04 -0.44 -2.79 0.00 0.00 178.44 174.14 2abd h ASP 56 N -0.56 -0.19 -0.01 2.65 5.19 0.78 0.47 116.42 124.75 2abd h ASP 56 Ca 0.03 0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2abd h ASP 56 Cb 0.66 0.14 -0.04 0.00 0.18 0.00 0.00 39.33 40.27 2abd h ASP 56 CO -0.44 -0.06 -0.20 0.00 -3.12 0.00 0.00 179.24 175.42 2abd h ALA 57 N 1.24 -0.24 0.16 3.45 0.00 0.34 0.26 119.26 124.48 2abd h ALA 57 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2abd h ALA 57 Cb 0.18 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2abd h ALA 57 CO -0.24 -0.69 -0.08 2.35 0.00 0.00 0.00 179.25 180.59 2abd h TRP 58 N -0.31 -0.21 -1.00 0.00 7.01 -0.22 -2.00 115.95 119.22 2abd h TRP 58 Ca 0.06 -0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.31 2abd h TRP 58 Cb 0.39 0.07 -0.13 0.00 -2.10 0.00 0.00 29.16 27.39 2abd h TRP 58 CO -0.25 -0.13 0.59 -0.97 -2.79 0.00 0.00 178.44 174.90 2abd h ASN 59 N -0.22 0.66 -1.01 2.65 -1.24 0.38 0.51 115.58 117.31 2abd h ASN 59 Ca -0.02 0.14 0.18 0.00 0.71 0.00 0.00 56.30 57.31 2abd h ASN 59 Cb 0.17 0.04 -0.10 0.00 0.73 0.00 0.00 38.32 39.16 2abd h ASN 59 CO 0.03 0.08 0.62 -0.08 -1.29 0.00 0.00 177.43 176.79 2abd h GLU 60 N 0.56 0.78 0.01 6.67 4.81 0.27 -2.61 114.58 125.07 2abd h GLU 60 Ca 0.65 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.84 2abd h GLU 60 Cb 1.26 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2abd h GLU 60 CO -0.49 0.52 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.23 2abd h LEU 61 N 0.80 -0.02 0.00 1.64 3.38 0.08 -3.46 115.31 117.73 2abd h LEU 61 Ca 0.57 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2abd h LEU 61 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2abd h LEU 61 CO -0.37 0.83 0.00 1.17 0.09 0.00 0.00 178.44 180.16 2abd n LYS 62 N -4.68 0.00 0.00 1.13 0.00 -0.14 0.14 118.16 114.61 2abd n LYS 62 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.23 2abd n LYS 62 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.40 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 0.00 1.17 3.66 3.14 0.00 -1.26 -4.95 105.19 106.95 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 -0.37 0.00 0.00 0.00 173.32 172.95 2abd n THR 64 N 0.00 3.97 -2.19 2.61 5.66 0.38 -4.84 114.28 119.87 2abd n THR 64 Ca 0.00 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 60.08 2abd n THR 64 Cb 0.00 -1.31 -0.03 0.00 -1.55 0.00 0.00 70.33 67.45 2abd n THR 64 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2abd s SER 65 N -1.21 6.80 0.47 1.09 0.01 -1.26 -4.77 113.70 114.83 2abd s SER 65 Ca 0.76 2.04 0.40 0.00 1.31 0.00 0.00 55.95 60.46 2abd s SER 65 Cb -0.41 -2.54 1.52 0.00 0.21 0.00 0.00 66.02 64.79 2abd s SER 65 CO 0.46 -0.83 1.46 0.29 0.41 0.00 0.00 173.24 175.04 2abd n LYS 66 N 6.54 -0.02 0.11 12.44 5.02 -1.26 0.12 118.16 141.12 2abd n LYS 66 Ca 0.15 1.09 -0.13 0.00 -2.02 0.00 0.00 58.31 57.40 2abd n LYS 66 Cb 0.44 -2.33 -0.08 0.00 -0.02 0.00 0.00 35.03 33.03 2abd n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2abd h GLU 67 N 0.00 -0.29 -0.58 1.97 4.39 -1.91 0.23 114.58 118.38 2abd h GLU 67 Ca 0.86 0.02 0.11 0.00 0.34 0.00 0.00 59.36 60.69 2abd h GLU 67 Cb 3.14 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 31.74 2abd h GLU 67 CO -0.21 0.05 -0.22 -0.44 -1.16 0.00 0.00 179.01 177.04 2abd h ASP 68 N -0.67 -0.78 0.32 1.42 3.32 0.62 0.50 116.42 121.15 2abd h ASP 68 Ca -0.03 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2abd h ASP 68 Cb 0.47 0.45 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2abd h ASP 68 CO 0.05 -0.25 -0.30 0.00 -1.72 0.00 0.00 179.24 177.02 2abd h ALA 69 N 1.37 -1.00 0.26 3.45 0.00 -1.24 0.38 119.26 122.48 2abd h ALA 69 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2abd h ALA 69 Cb 0.49 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2abd h ALA 69 CO -0.64 -1.02 -0.48 0.52 0.00 0.00 0.00 179.25 177.63 2abd h MET 70 N -0.61 -0.77 -0.04 0.00 2.86 0.32 0.31 114.93 117.00 2abd h MET 70 Ca -0.04 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2abd h MET 70 Cb 0.52 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2abd h MET 70 CO -0.03 -0.51 -0.03 0.87 1.06 0.00 0.00 176.91 178.27 2abd h LYS 71 N -0.80 -0.00 -0.36 1.72 1.79 0.02 -1.16 116.57 117.78 2abd h LYS 71 Ca -0.03 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 2abd h LYS 71 Cb 0.75 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.33 2abd h LYS 71 CO -0.18 -0.00 -0.50 0.00 -1.08 0.00 0.00 179.45 177.69 2abd h ALA 72 N -1.01 -0.73 -0.78 3.86 0.00 -0.12 -1.88 119.26 118.59 2abd h ALA 72 Ca 0.01 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2abd h ALA 72 Cb 0.02 1.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 2abd h ALA 72 CO -0.04 -0.97 -0.34 0.98 0.00 0.00 0.00 179.25 178.88 2abd n TYR 73 N -5.07 -0.06 0.18 0.00 9.36 0.11 0.78 117.16 122.46 2abd n TYR 73 Ca -0.03 0.97 -0.07 0.00 3.32 0.00 0.00 57.90 62.08 2abd n TYR 73 Cb 0.30 -0.74 -0.03 0.00 -0.63 0.00 0.00 39.34 38.24 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 -0.97 2.97 2.04 -0.66 0.27 117.51 121.16 2abd h ILE 74 Ca 0.24 -0.12 0.28 0.00 1.00 0.00 0.00 64.86 66.26 2abd h ILE 74 Cb 0.44 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 2abd h ILE 74 CO -0.77 0.00 1.01 0.44 0.00 0.00 0.00 178.15 178.83 2abd h ASP 75 N -0.59 0.00 0.10 1.72 5.19 -0.54 0.81 116.42 123.11 2abd h ASP 75 Ca -0.05 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 55.99 2abd h ASP 75 Cb 0.36 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.83 2abd h ASP 75 CO 0.08 0.00 -2.13 1.17 -3.12 0.00 0.00 179.24 175.23 2abd n LYS 76 N -3.49 0.73 -0.30 3.56 3.00 0.23 -4.09 118.16 117.79 2abd n LYS 76 Ca 0.21 0.23 0.06 0.00 -0.00 0.00 0.00 58.31 58.81 2abd n LYS 76 Cb 1.32 -1.66 0.22 0.00 0.00 0.00 0.00 35.03 34.91 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2abd h VAL 77 N 0.05 0.80 -0.15 3.15 2.07 0.43 0.23 116.25 122.82 2abd h VAL 77 Ca -0.47 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 66.85 2abd h VAL 77 Cb 2.00 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2abd h VAL 77 CO 0.04 0.13 0.61 -0.08 0.02 0.00 0.00 177.57 178.29 2abd h GLU 78 N 0.72 0.00 0.05 1.57 4.22 -1.38 0.50 114.58 120.26 2abd h GLU 78 Ca 0.46 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.77 2abd h GLU 78 Cb 0.57 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2abd h GLU 78 CO -0.32 0.00 -0.65 0.93 -2.18 0.00 0.00 179.01 176.79 2abd h GLU 79 N 0.00 0.11 -0.58 1.92 5.08 -0.76 -3.23 114.58 117.11 2abd h GLU 79 Ca 0.07 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2abd h GLU 79 Cb 1.29 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.55 2abd h GLU 79 CO -0.00 1.09 0.26 -0.07 -1.00 0.00 0.00 179.01 179.29 2abd h LEU 80 N -0.73 0.32 -1.69 1.33 3.38 -0.16 0.55 115.31 118.31 2abd h LEU 80 Ca -0.14 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.00 2abd h LEU 80 Cb 1.34 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 2abd h LEU 80 CO 0.01 0.20 0.59 0.50 0.09 0.00 0.00 178.44 179.84 2abd h LYS 81 N 0.47 0.00 0.00 1.13 3.64 -0.61 0.35 116.57 121.56 2abd h LYS 81 Ca 0.28 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 59.23 2abd h LYS 81 Cb 0.28 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.03 2abd h LYS 81 CO -0.24 0.00 -2.52 1.63 -2.27 0.00 0.00 179.45 176.05 2abd n LYS 82 N -3.36 0.62 -0.12 1.90 5.02 0.16 -2.40 118.16 119.98 2abd n LYS 82 Ca 0.08 0.20 -0.10 0.00 -2.02 0.00 0.00 58.31 56.47 2abd n LYS 82 Cb 0.75 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 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 0.57 0.00 1.97 1.63 -0.19 -3.38 116.57 116.69 2abd h LYS 83 Ca -0.64 -0.14 -0.34 0.00 -0.85 0.00 0.00 60.65 58.67 2abd h LYS 83 Cb 1.76 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 33.27 2abd h LYS 83 CO -0.25 0.63 -2.12 0.66 -3.45 0.00 0.00 179.45 174.92 2abd n TYR 84 N -4.60 0.00 0.00 1.91 4.01 0.11 -5.00 117.16 113.60 2abd n TYR 84 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2abd n TYR 84 Cb 0.21 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.48 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 1.66 0.44 0.66 2.72 0.00 -0.35 -3.88 105.19 106.43 2abd n GLY 85 Ca -0.41 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.20 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71