#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 2.29 0.00 -1.46 -0.06 -1.26 -5.18 117.38 111.71 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 -3.00 0.00 0.67 1.69 0.00 -1.26 -4.96 120.51 113.65 2abd n ALA 3 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2abd n ALA 3 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 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 2.40 -0.36 0.00 0.00 -1.26 -4.58 120.64 116.84 2abd n GLU 4 Ca 0.00 -2.09 -0.05 0.00 0.00 0.00 0.00 57.16 55.01 2abd n GLU 4 Cb 0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 31.44 29.95 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 4.58 -1.34 -0.05 -1.84 3.04 -1.92 1.41 116.94 120.82 2abd h PHE 5 Ca 0.00 0.11 0.02 0.00 3.98 0.00 0.00 57.97 62.07 2abd h PHE 5 Cb 0.99 0.72 -0.00 0.00 2.56 0.00 0.00 35.95 40.21 2abd h PHE 5 CO 0.12 -0.40 0.10 -0.44 -2.02 0.00 0.00 178.31 175.67 2abd h ASP 6 N -0.04 0.00 0.08 0.41 3.32 -1.99 0.38 116.42 118.57 2abd h ASP 6 Ca 0.27 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2abd h ASP 6 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2abd h ASP 6 CO -0.92 0.00 -0.04 0.50 -1.72 0.00 0.00 179.24 177.06 2abd h LYS 7 N 0.00 -0.10 -0.83 3.56 3.64 0.14 0.48 116.57 123.47 2abd h LYS 7 Ca 0.03 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.62 2abd h LYS 7 Cb 0.22 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 31.92 2abd h LYS 7 CO -0.00 0.45 0.07 0.00 -2.27 0.00 0.00 179.45 177.69 2abd h ALA 8 N -0.02 0.97 0.68 5.00 0.00 0.26 0.33 119.26 126.47 2abd h ALA 8 Ca -0.01 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2abd h ALA 8 Cb 0.60 0.42 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2abd h ALA 8 CO 0.02 -0.45 -0.33 0.00 0.00 0.00 0.00 179.25 178.49 2abd h ALA 9 N 1.77 -1.19 -1.09 0.00 0.00 -0.51 0.17 119.26 118.41 2abd h ALA 9 Ca 0.48 -0.20 0.39 0.00 0.00 0.00 0.00 54.91 55.58 2abd h ALA 9 Cb 0.90 0.35 -0.16 0.00 0.00 0.00 0.00 17.79 18.89 2abd h ALA 9 CO -0.71 -1.13 0.64 0.93 0.00 0.00 0.00 179.25 178.99 2abd h GLU 10 N -0.95 0.12 0.00 0.00 5.08 0.17 -1.45 114.58 117.55 2abd h GLU 10 Ca -0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2abd h GLU 10 Cb 0.70 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2abd h GLU 10 CO 0.15 0.08 -0.14 0.93 -1.00 0.00 0.00 179.01 179.03 2abd h GLU 11 N 0.13 0.00 -0.93 2.33 4.39 -0.32 -3.39 114.58 116.79 2abd h GLU 11 Ca 0.81 0.00 0.27 0.00 0.34 0.00 0.00 59.36 60.78 2abd h GLU 11 Cb 2.17 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 30.67 2abd h GLU 11 CO -0.62 0.00 0.33 -0.24 -1.16 0.00 0.00 179.01 177.33 2abd h VAL 12 N -0.68 0.28 0.00 3.13 3.04 -0.28 0.16 116.25 121.90 2abd h VAL 12 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 2abd h VAL 12 Cb 0.14 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.46 2abd h VAL 12 CO 0.00 0.04 0.00 2.29 -1.01 0.00 0.00 177.57 178.89 2abd n LYS 13 N -5.19 0.01 0.00 4.17 2.85 -0.58 -3.24 118.16 116.17 2abd n LYS 13 Ca 0.25 0.46 0.00 0.00 -1.05 0.00 0.00 58.31 57.97 2abd n LYS 13 Cb 0.80 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 2abd n LYS 13 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2abd n HIS 14 N -1.53 0.00 0.00 5.58 8.25 0.50 -5.10 115.22 122.92 2abd n HIS 14 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2abd n HIS 14 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.72 0.00 -0.26 2.41 4.77 -0.88 -4.60 117.00 116.73 2abd n LEU 15 Ca 0.00 0.00 0.22 0.00 -0.03 0.00 0.00 56.01 56.20 2abd n LEU 15 Cb 0.28 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.75 2abd n LEU 15 CO 0.00 0.00 0.68 1.17 -1.33 0.00 0.00 177.39 177.91 2abd n LYS 16 N 0.00 -0.02 -4.29 3.23 4.81 0.15 -3.88 118.16 118.16 2abd n LYS 16 Ca 0.00 0.70 -0.20 0.00 -0.87 0.00 0.00 58.31 57.93 2abd n LYS 16 Cb 0.00 -1.37 -0.11 0.00 0.02 0.00 0.00 35.03 33.56 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 -4.51 1.59 -0.29 3.15 2.01 -1.23 -5.08 115.64 111.27 2abd s THR 17 Ca -0.04 -1.79 -0.24 0.00 0.31 0.00 0.00 61.69 59.93 2abd s THR 17 Cb 0.17 -1.67 -0.00 0.00 0.01 0.00 0.00 72.50 71.01 2abd s THR 17 CO 0.46 -0.34 0.81 -1.59 -0.69 0.00 0.00 174.62 173.27 2abd s LYS 18 N -2.65 4.04 0.94 4.92 -2.85 -1.25 -4.87 119.74 118.01 2abd s LYS 18 Ca 0.12 0.72 -0.12 0.00 -1.00 0.00 0.00 55.97 55.69 2abd s LYS 18 Cb -0.06 -3.70 0.07 0.00 -2.06 0.00 0.00 37.83 32.08 2abd s LYS 18 CO 0.05 -0.64 0.61 -2.30 0.10 0.00 0.00 175.35 173.17 2abd n PRO 19 N 6.17 -0.32 -1.71 1.78 -0.02 -1.26 -4.92 135.00 134.71 2abd n PRO 19 Ca 0.05 -0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 2abd n PRO 19 Cb 0.48 -2.00 0.06 0.00 -0.02 0.00 0.00 33.50 32.02 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 -2.45 2.39 0.07 3.55 0.00 -1.26 -4.59 121.76 119.47 2abd s ALA 20 Ca 0.60 0.68 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 2abd s ALA 20 Cb -0.22 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2abd s ALA 20 CO 0.65 -1.40 1.24 -0.44 0.00 0.00 0.00 175.76 175.81 2abd h ASP 21 N 0.06 -0.96 -1.04 0.00 3.32 -1.98 0.70 116.42 116.51 2abd h ASP 21 Ca -0.47 0.15 0.31 0.00 0.02 0.00 0.00 57.03 57.03 2abd h ASP 21 Cb 1.26 0.42 -0.13 0.00 0.22 0.00 0.00 39.33 41.10 2abd h ASP 21 CO 0.53 -0.11 0.62 -0.33 -1.72 0.00 0.00 179.24 178.23 2abd h GLU 22 N -0.02 0.35 0.54 3.56 5.08 -1.97 0.75 114.58 122.88 2abd h GLU 22 Ca 0.07 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2abd h GLU 22 Cb 0.19 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.37 2abd h GLU 22 CO -0.41 0.23 -0.26 0.93 -1.00 0.00 0.00 179.01 178.50 2abd h GLU 23 N 0.36 -0.71 -0.84 2.33 5.08 -1.28 0.17 114.58 119.70 2abd h GLU 23 Ca 0.71 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 59.29 2abd h GLU 23 Cb 1.65 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 31.00 2abd h GLU 23 CO -0.52 -0.47 0.56 0.00 -1.00 0.00 0.00 179.01 177.58 2abd h MET 24 N -1.11 0.41 0.59 2.33 -0.00 -0.09 0.19 114.93 117.25 2abd h MET 24 Ca -0.07 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.57 2abd h MET 24 Cb 0.56 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2abd h MET 24 CO 0.12 0.27 -0.29 -0.07 -0.00 0.00 0.00 176.91 176.94 2abd h LEU 25 N 0.42 -0.70 -0.01 -0.10 3.38 0.73 0.34 115.31 119.37 2abd h LEU 25 Ca 0.43 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.45 2abd h LEU 25 Cb 1.02 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 2abd h LEU 25 CO -0.15 -0.49 -0.48 0.15 0.09 0.00 0.00 178.44 177.56 2abd h PHE 26 N -0.80 -1.38 0.02 1.13 3.57 0.86 0.39 116.94 120.72 2abd h PHE 26 Ca -0.08 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2abd h PHE 26 Cb 0.62 0.60 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 2abd h PHE 26 CO -0.04 -0.54 -0.06 0.82 -2.23 0.00 0.00 178.31 176.27 2abd h ILE 27 N -0.62 0.00 -0.66 1.41 5.03 -0.95 -1.17 117.51 120.55 2abd h ILE 27 Ca 0.03 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.84 2abd h ILE 27 Cb 0.69 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.40 2abd h ILE 27 CO -0.35 0.00 -0.41 0.22 -0.68 0.00 0.00 178.15 176.93 2abd h TYR 28 N -0.08 -1.32 -0.17 1.37 3.20 -0.05 0.43 116.97 120.35 2abd h TYR 28 Ca -0.00 0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2abd h TYR 28 Cb 0.08 0.66 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 2abd h TYR 28 CO -0.30 -0.27 -0.34 0.66 -1.64 0.00 0.00 178.16 176.27 2abd h SER 29 N -0.02 -1.12 -0.12 -2.11 4.64 -0.18 0.57 113.55 115.21 2abd h SER 29 Ca 0.11 0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.60 2abd h SER 29 Cb 0.30 0.45 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 2abd h SER 29 CO -0.64 -0.28 -0.12 0.45 -0.87 0.00 0.00 176.83 175.37 2abd h HIS 30 N -0.31 -0.30 0.00 4.77 3.86 -0.85 0.95 115.15 123.27 2abd h HIS 30 Ca 0.03 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2abd h HIS 30 Cb 0.40 0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.02 2abd h HIS 30 CO -0.60 -0.18 -0.01 -0.92 0.86 0.00 0.00 177.93 177.07 2abd h TYR 31 N -0.15 -0.03 -0.93 2.45 3.20 0.47 0.15 116.97 122.13 2abd h TYR 31 Ca 0.08 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.18 2abd h TYR 31 Cb 0.27 0.01 -0.17 0.00 1.54 0.00 0.00 36.73 38.38 2abd h TYR 31 CO -0.24 -0.01 -0.09 1.63 -1.64 0.00 0.00 178.16 177.82 2abd n LYS 32 N -2.51 -0.08 0.02 1.82 4.76 0.19 -0.31 118.16 122.06 2abd n LYS 32 Ca -0.00 1.42 -0.12 0.00 -2.87 0.00 0.00 58.31 56.73 2abd n LYS 32 Cb 0.01 -2.19 -0.08 0.00 -1.84 0.00 0.00 35.03 30.92 2abd n LYS 32 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 2abd h GLN 33 N 0.00 -0.00 -0.93 1.97 1.08 0.11 0.60 115.11 117.93 2abd h GLN 33 Ca 0.51 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.75 2abd h GLN 33 Cb 0.96 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.34 2abd h GLN 33 CO -0.91 0.17 0.61 0.00 -0.95 0.00 0.00 178.83 177.76 2abd h ALA 34 N 0.81 1.39 0.00 3.87 0.00 0.21 -3.10 119.26 122.44 2abd h ALA 34 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2abd h ALA 34 Cb 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2abd h ALA 34 CO 0.00 0.52 -0.74 0.25 0.00 0.00 0.00 179.25 179.28 2abd n THR 35 N -4.43 1.45 -0.08 0.00 -2.24 0.58 -4.79 114.28 104.77 2abd n THR 35 Ca 0.12 0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.91 2abd n THR 35 Cb 0.09 -2.35 -0.12 0.00 -2.10 0.00 0.00 70.33 65.85 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 1.52 0.00 2.28 2.07 -0.15 -3.50 116.25 117.46 2abd h VAL 36 Ca -0.04 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2abd h VAL 36 Cb 0.72 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 2abd h VAL 36 CO -0.02 0.51 0.00 0.61 0.02 0.00 0.00 177.57 178.69 2abd n GLY 37 N 1.57 0.16 3.60 2.17 0.00 0.69 -5.00 105.19 108.37 2abd n GLY 37 Ca -0.15 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 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 5.98 0.00 1.61 1.11 -1.26 -3.52 116.67 116.59 2abd s ASP 38 Ca 0.00 1.14 0.00 0.00 0.18 0.00 0.00 52.55 53.87 2abd s ASP 38 Cb 0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 2abd s ASP 38 CO 0.00 -1.67 0.00 0.00 1.18 0.00 0.00 175.17 174.68 2abd n ILE 39 N 7.32 0.00 -2.15 0.77 3.06 -1.26 -4.80 119.36 122.29 2abd n ILE 39 Ca 0.21 0.00 -0.28 0.00 -2.50 0.00 0.00 62.75 60.19 2abd n ILE 39 Cb 0.47 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 5.28 0.00 9.51 6.94 -1.26 -4.66 115.26 131.07 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 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 36.92 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 -0.61 0.00 0.00 5.53 -2.24 -1.26 -5.17 114.28 110.52 2abd n THR 41 Ca 0.44 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 2abd n THR 41 Cb 0.75 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.41 0.00 -2.87 -0.78 0.28 -1.26 -5.10 120.64 110.49 2abd n GLU 42 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 2abd n GLU 42 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 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 -3.11 3.54 1.07 3.44 3.52 -1.26 -4.90 118.95 121.24 2abd s ARG 43 Ca 0.00 0.13 -0.22 0.00 -0.13 0.00 0.00 55.73 55.52 2abd s ARG 43 Cb 0.00 -3.91 -0.01 0.00 -1.56 0.00 0.00 34.95 29.47 2abd s ARG 43 CO 0.00 -1.14 -0.55 -2.30 -0.81 0.00 0.00 175.30 170.50 2abd n PRO 44 N 6.94 -0.93 0.00 5.12 -0.02 -1.26 -5.04 135.00 139.81 2abd n PRO 44 Ca 0.05 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2abd n PRO 44 Cb 0.48 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 2.57 0.12 2.54 -1.23 0.00 -1.26 -4.97 105.19 102.96 2abd n GLY 45 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.25 0.00 0.00 1.61 0.00 -1.26 -4.80 117.12 110.43 2abd n MET 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 2abd n MET 46 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 33.22 32.37 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 2.96 0.00 -0.96 -0.89 4.77 -1.26 -4.60 117.00 117.02 2abd n LEU 47 Ca -0.02 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2abd n LEU 47 Cb 0.64 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2abd n LEU 47 CO 0.36 -0.03 0.00 -0.90 -1.33 0.00 0.00 177.39 175.49 2abd n ASP 48 N -1.18 0.00 -0.28 -1.43 5.75 -1.26 -4.72 116.55 113.43 2abd n ASP 48 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.87 2abd n ASP 48 Cb 0.00 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.32 2abd n ASP 48 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2abd h PHE 49 N 0.64 0.16 -0.98 2.11 0.04 -1.95 0.18 116.94 117.14 2abd h PHE 49 Ca 0.00 0.05 -0.56 0.00 2.80 0.00 0.00 57.97 60.27 2abd h PHE 49 Cb 0.00 0.06 -0.30 0.00 2.20 0.00 0.00 35.95 37.91 2abd h PHE 49 CO 0.00 -0.22 0.71 1.63 -0.60 0.00 0.00 178.31 179.83 2abd n LYS 50 N -5.28 2.35 0.00 1.51 5.02 -1.26 -4.25 118.16 116.25 2abd n LYS 50 Ca 0.18 -3.03 0.00 0.00 -2.02 0.00 0.00 58.31 53.44 2abd n LYS 50 Cb 0.58 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 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 -1.04 -0.38 0.00 0.72 0.00 0.61 -4.58 105.19 100.52 2abd n GLY 51 Ca 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.47 -0.00 -0.26 1.61 5.02 -1.20 -0.03 118.16 121.83 2abd n LYS 52 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2abd n LYS 52 Cb 0.00 -0.01 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 2abd n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2abd n ALA 53 N -4.00 -0.06 -0.05 7.82 0.00 -1.26 0.17 120.51 123.12 2abd n ALA 53 Ca 0.00 0.67 -0.09 0.00 0.00 0.00 0.00 53.44 54.03 2abd n ALA 53 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.27 -0.10 0.00 6.56 -0.72 0.33 116.57 122.38 2abd h LYS 54 Ca 0.24 0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.89 2abd h LYS 54 Cb 0.41 0.06 -0.06 0.00 -0.57 0.00 0.00 32.23 32.07 2abd h LYS 54 CO -0.67 -0.18 -0.44 2.35 -2.06 0.00 0.00 179.45 178.45 2abd h TRP 55 N -0.28 -1.27 0.23 -1.35 7.01 0.16 -1.59 115.95 118.86 2abd h TRP 55 Ca 0.14 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.19 2abd h TRP 55 Cb 0.50 0.57 -0.02 0.00 -2.10 0.00 0.00 29.16 28.10 2abd h TRP 55 CO -0.43 -0.50 -0.25 -0.44 -2.79 0.00 0.00 178.44 174.04 2abd h ASP 56 N -0.53 -0.66 -0.88 2.65 3.32 -0.30 0.37 116.42 120.39 2abd h ASP 56 Ca 0.06 0.06 0.24 0.00 0.02 0.00 0.00 57.03 57.41 2abd h ASP 56 Cb 0.65 0.23 -0.14 0.00 0.22 0.00 0.00 39.33 40.29 2abd h ASP 56 CO -0.38 -0.36 0.25 0.00 -1.72 0.00 0.00 179.24 177.03 2abd h ALA 57 N 0.15 1.29 0.09 3.45 0.00 -0.03 0.31 119.26 124.52 2abd h ALA 57 Ca -0.00 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2abd h ALA 57 Cb 0.49 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2abd h ALA 57 CO -0.06 -0.47 -0.04 2.35 0.00 0.00 0.00 179.25 181.03 2abd h TRP 58 N 0.22 -0.11 -0.84 0.00 7.01 -0.64 -3.28 115.95 118.31 2abd h TRP 58 Ca 0.56 -0.00 0.21 0.00 2.11 0.00 0.00 58.89 61.76 2abd h TRP 58 Cb 1.12 0.04 -0.14 0.00 -2.10 0.00 0.00 29.16 28.08 2abd h TRP 58 CO -0.26 0.43 0.09 -0.97 -2.79 0.00 0.00 178.44 174.94 2abd h ASN 59 N -0.83 -0.24 -1.03 2.65 -1.24 0.11 0.38 115.58 115.37 2abd h ASN 59 Ca -0.01 0.21 0.34 0.00 0.71 0.00 0.00 56.30 57.55 2abd h ASN 59 Cb 0.59 0.34 -0.15 0.00 0.73 0.00 0.00 38.32 39.83 2abd h ASN 59 CO 0.02 -0.20 0.59 -0.08 -1.29 0.00 0.00 177.43 176.47 2abd h GLU 60 N 0.13 0.26 0.06 6.67 4.22 -0.51 0.16 114.58 125.56 2abd h GLU 60 Ca 0.49 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.82 2abd h GLU 60 Cb 0.94 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.14 2abd h GLU 60 CO -0.70 0.17 -0.43 -0.07 -2.18 0.00 0.00 179.01 175.80 2abd h LEU 61 N 0.26 0.27 0.00 1.64 3.38 -0.38 -3.47 115.31 117.02 2abd h LEU 61 Ca 0.75 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2abd h LEU 61 Cb 1.82 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2abd h LEU 61 CO -0.61 1.17 0.00 1.17 0.09 0.00 0.00 178.44 180.27 2abd n LYS 62 N -4.36 0.00 0.00 1.13 4.81 0.04 0.54 118.16 120.32 2abd n LYS 62 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 2abd n LYS 62 Cb 0.64 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.69 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 1.57 3.80 3.14 0.00 -1.26 -4.98 105.19 107.46 2abd n GLY 63 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 3.99 -0.91 2.61 -1.32 0.19 -4.84 115.64 113.36 2abd s THR 64 Ca 0.00 1.28 -0.21 0.00 -1.21 0.00 0.00 61.69 61.55 2abd s THR 64 Cb 0.00 -3.54 -0.24 0.00 -1.51 0.00 0.00 72.50 67.21 2abd s THR 64 CO 0.00 -0.23 2.42 -1.20 -2.21 0.00 0.00 174.62 173.40 2abd n SER 65 N -0.72 0.06 0.00 8.08 7.64 -1.26 -4.71 113.62 122.71 2abd n SER 65 Ca 0.08 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.57 2abd n SER 65 Cb 0.53 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 7.46 0.00 -0.03 1.43 4.76 -1.26 0.13 118.16 130.66 2abd n LYS 66 Ca 0.61 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.90 2abd n LYS 66 Cb 0.18 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.28 2abd n LYS 66 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2abd h GLU 67 N 0.00 0.30 -0.36 1.97 3.07 -1.93 -3.27 114.58 114.35 2abd h GLU 67 Ca 0.00 -0.26 0.08 0.00 -0.50 0.00 0.00 59.36 58.68 2abd h GLU 67 Cb 0.00 0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 27.88 2abd h GLU 67 CO 0.00 0.91 -0.29 -0.44 -1.40 0.00 0.00 179.01 177.79 2abd h ASP 68 N -0.23 -0.97 -0.98 1.42 3.32 0.75 0.46 116.42 120.18 2abd h ASP 68 Ca -0.03 0.18 0.16 0.00 0.02 0.00 0.00 57.03 57.37 2abd h ASP 68 Cb 0.98 0.46 -0.17 0.00 0.22 0.00 0.00 39.33 40.83 2abd h ASP 68 CO 0.06 -0.30 -0.35 0.00 -1.72 0.00 0.00 179.24 176.94 2abd n ALA 69 N -2.95 -0.02 0.25 3.45 0.00 -1.18 0.08 120.51 120.14 2abd n ALA 69 Ca 0.01 1.01 -0.13 0.00 0.00 0.00 0.00 53.44 54.33 2abd n ALA 69 Cb 0.32 -0.49 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 2abd n ALA 69 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2abd h MET 70 N 0.00 -0.66 -0.50 0.00 2.86 -1.17 0.39 114.93 115.85 2abd h MET 70 Ca 0.38 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 58.13 2abd h MET 70 Cb 0.62 0.15 -0.10 0.00 0.06 0.00 0.00 31.60 32.34 2abd h MET 70 CO -0.98 -0.37 -0.48 1.57 1.06 0.00 0.00 176.91 177.71 2abd h LYS 71 N -1.09 -0.28 0.04 1.72 2.10 -0.49 0.11 116.57 118.69 2abd h LYS 71 Ca -0.07 0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2abd h LYS 71 Cb 0.59 0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 31.94 2abd h LYS 71 CO 0.11 -0.19 -0.42 0.00 -2.00 0.00 0.00 179.45 176.96 2abd h ALA 72 N 0.38 -0.88 -0.92 0.07 0.00 -0.41 0.43 119.26 117.93 2abd h ALA 72 Ca 0.14 -0.08 0.35 0.00 0.00 0.00 0.00 54.91 55.32 2abd h ALA 72 Cb 0.57 0.83 -0.17 0.00 0.00 0.00 0.00 17.79 19.03 2abd h ALA 72 CO -0.65 -0.99 0.37 0.98 0.00 0.00 0.00 179.25 178.97 2abd n TYR 73 N -4.80 0.95 -0.03 0.00 9.36 0.14 0.33 117.16 123.10 2abd n TYR 73 Ca -0.06 1.10 -0.01 0.00 3.32 0.00 0.00 57.90 62.25 2abd n TYR 73 Cb 0.31 -1.42 -0.00 0.00 -0.63 0.00 0.00 39.34 37.60 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 -1.67 2.97 1.08 -0.05 -2.15 117.51 117.69 2abd h ILE 74 Ca 0.73 -0.58 0.49 0.00 -0.39 0.00 0.00 64.86 65.10 2abd h ILE 74 Cb 1.83 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 35.52 2abd h ILE 74 CO -0.75 0.00 1.33 0.44 -0.69 0.00 0.00 178.15 178.48 2abd h ASP 75 N -0.58 0.00 0.10 1.72 3.32 0.72 1.07 116.42 122.77 2abd h ASP 75 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 2abd h ASP 75 Cb 0.10 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2abd h ASP 75 CO 0.00 0.00 -2.18 1.17 -1.72 0.00 0.00 179.24 176.51 2abd n LYS 76 N -3.77 0.71 -0.30 3.56 3.00 0.15 -4.13 118.16 117.38 2abd n LYS 76 Ca 0.38 0.21 0.08 0.00 -0.00 0.00 0.00 58.31 58.98 2abd n LYS 76 Cb 1.83 -1.63 0.24 0.00 0.00 0.00 0.00 35.03 35.47 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 0.04 0.69 -1.62 3.15 2.07 0.18 -0.16 116.25 120.60 2abd h VAL 77 Ca -0.48 -0.21 0.51 0.00 0.82 0.00 0.00 66.70 67.34 2abd h VAL 77 Cb 2.00 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 31.70 2abd h VAL 77 CO 0.02 0.11 1.12 1.21 0.02 0.00 0.00 177.57 180.05 2abd n GLU 78 N -4.89 -0.02 -0.02 1.57 4.07 -0.30 0.11 120.64 121.16 2abd n GLU 78 Ca 0.18 1.11 -0.13 0.00 -0.06 0.00 0.00 57.16 58.27 2abd n GLU 78 Cb 0.47 -2.38 -0.10 0.00 -0.06 0.00 0.00 31.44 29.37 2abd n GLU 78 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2abd h GLU 79 N 0.00 -0.03 -0.80 5.31 5.08 -1.26 -3.24 114.58 119.65 2abd h GLU 79 Ca 0.87 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 59.34 2abd h GLU 79 Cb 3.20 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 32.38 2abd h GLU 79 CO -0.22 0.60 0.43 -0.07 -1.00 0.00 0.00 179.01 178.76 2abd h LEU 80 N -0.71 0.58 -1.74 1.33 3.38 0.65 0.20 115.31 119.00 2abd h LEU 80 Ca -0.00 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.20 2abd h LEU 80 Cb 0.65 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2abd h LEU 80 CO 0.01 0.31 0.66 0.50 0.09 0.00 0.00 178.44 180.00 2abd h LYS 81 N 0.69 0.00 0.00 1.13 3.64 -0.66 0.46 116.57 121.83 2abd h LYS 81 Ca 0.40 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 59.33 2abd h LYS 81 Cb 0.44 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 2abd h LYS 81 CO -0.28 0.00 -2.50 1.63 -2.27 0.00 0.00 179.45 176.03 2abd n LYS 82 N -3.58 0.60 -0.26 1.90 5.02 0.57 -2.05 118.16 120.36 2abd n LYS 82 Ca 0.12 0.26 -0.06 0.00 -2.02 0.00 0.00 58.31 56.61 2abd n LYS 82 Cb 0.87 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.43 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 -0.87 1.06 0.00 1.97 3.64 -0.72 -3.38 116.57 118.27 2abd h LYS 83 Ca -0.68 -0.17 -0.13 0.00 -1.27 0.00 0.00 60.65 58.40 2abd h LYS 83 Cb 1.64 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.26 2abd h LYS 83 CO -0.38 0.85 -1.48 0.66 -2.27 0.00 0.00 179.45 176.83 2abd n TYR 84 N -4.39 0.00 0.00 1.91 4.01 0.14 -4.95 117.16 113.88 2abd n TYR 84 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2abd n TYR 84 Cb 0.15 -0.32 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 2.87 0.00 0.62 2.72 0.00 0.30 -3.37 105.19 108.34 2abd n GLY 85 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71