#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 -2.37 117.38 112.23 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 0.00 0.00 0.27 1.69 0.00 -1.26 0.14 120.51 121.35 2abd n ALA 3 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2abd n ALA 3 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.18 2abd n ALA 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2abd h GLU 4 N 0.00 0.00 0.41 0.00 4.11 -1.83 -0.22 114.58 117.06 2abd h GLU 4 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2abd h GLU 4 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2abd h GLU 4 CO 0.00 0.06 -0.20 0.35 0.07 0.00 0.00 179.01 179.30 2abd h PHE 5 N 0.00 -0.51 -0.81 2.06 3.57 -0.49 0.32 116.94 121.07 2abd h PHE 5 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2abd h PHE 5 Cb 0.45 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 2abd h PHE 5 CO 0.00 -0.29 0.53 -0.44 -2.23 0.00 0.00 178.31 175.88 2abd h ASP 6 N -1.13 0.94 -0.29 0.41 3.32 -1.62 0.37 116.42 118.42 2abd h ASP 6 Ca -0.06 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.03 2abd h ASP 6 Cb 0.45 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 2abd h ASP 6 CO 0.09 0.69 -0.13 0.50 -1.72 0.00 0.00 179.24 178.67 2abd h LYS 7 N 1.10 -0.07 0.30 3.56 1.63 -1.07 0.33 116.57 122.35 2abd h LYS 7 Ca 0.30 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.10 2abd h LYS 7 Cb -0.11 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 2abd h LYS 7 CO -0.06 -0.05 -0.50 0.00 -3.45 0.00 0.00 179.45 175.39 2abd h ALA 8 N 1.17 -1.06 -0.79 5.00 0.00 0.15 0.37 119.26 124.09 2abd h ALA 8 Ca 0.15 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2abd h ALA 8 Cb 0.31 0.81 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 2abd h ALA 8 CO -0.35 -1.14 -0.39 0.00 0.00 0.00 0.00 179.25 177.37 2abd h ALA 9 N -0.76 -0.02 -0.96 0.00 0.00 0.51 0.43 119.26 118.46 2abd h ALA 9 Ca -0.03 0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2abd h ALA 9 Cb 0.79 0.94 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 2abd h ALA 9 CO -0.17 -0.69 0.62 1.49 0.00 0.00 0.00 179.25 180.50 2abd h GLU 10 N -0.09 1.05 0.00 0.00 4.81 0.05 -2.20 114.58 118.19 2abd h GLU 10 Ca 0.27 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2abd h GLU 10 Cb 0.57 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2abd h GLU 10 CO -0.83 0.69 -0.13 0.93 -0.73 0.00 0.00 179.01 178.95 2abd h GLU 11 N 1.08 0.00 -0.94 1.92 5.08 0.14 -3.38 114.58 118.48 2abd h GLU 11 Ca 0.43 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 59.01 2abd h GLU 11 Cb 0.24 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.37 2abd h GLU 11 CO -0.18 0.45 0.48 -0.24 -1.00 0.00 0.00 179.01 178.52 2abd h VAL 12 N -1.00 0.52 0.00 3.13 3.04 -0.28 0.18 116.25 121.84 2abd h VAL 12 Ca -0.02 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2abd h VAL 12 Cb 0.51 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.78 2abd h VAL 12 CO -0.01 0.09 0.00 0.29 -1.01 0.00 0.00 177.57 176.93 2abd n LYS 13 N -4.96 0.86 0.00 4.17 5.02 -0.83 -3.33 118.16 119.09 2abd n LYS 13 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2abd n LYS 13 Cb 0.67 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 2abd n LYS 13 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2abd n HIS 14 N -0.38 0.00 0.00 2.13 1.44 0.39 -5.05 115.22 113.76 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 0.05 0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.25 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 -2.48 0.00 0.00 2.39 4.77 0.12 -4.47 117.00 117.32 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 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 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 -2.62 3.23 4.81 -0.10 -4.35 118.16 119.13 2abd n LYS 16 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 2abd n LYS 16 Cb 0.00 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.15 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 -1.89 2.16 -0.85 3.15 2.01 -1.19 -5.07 115.64 113.97 2abd s THR 17 Ca 0.00 -0.63 -0.14 0.00 0.31 0.00 0.00 61.69 61.23 2abd s THR 17 Cb 0.00 -2.54 0.22 0.00 0.01 0.00 0.00 72.50 70.19 2abd s THR 17 CO 0.00 0.00 0.80 -0.75 -0.69 0.00 0.00 174.62 173.98 2abd s LYS 18 N -5.09 3.64 0.08 4.92 2.20 -1.26 -4.97 119.74 119.26 2abd s LYS 18 Ca 0.65 -2.48 -0.37 0.00 -0.36 0.00 0.00 55.97 53.42 2abd s LYS 18 Cb -0.06 -4.46 -0.17 0.00 -1.51 0.00 0.00 37.83 31.63 2abd s LYS 18 CO 0.44 -1.31 1.26 -2.30 -0.36 0.00 0.00 175.35 173.08 2abd n PRO 19 N 4.01 0.91 -1.98 4.03 -0.02 -1.26 -4.88 135.00 135.81 2abd n PRO 19 Ca 0.15 0.33 -0.36 0.00 -2.02 0.00 0.00 63.50 61.59 2abd n PRO 19 Cb 0.47 -1.92 0.04 0.00 -0.02 0.00 0.00 33.50 32.06 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 0.30 2.56 0.13 3.55 0.00 -1.26 -4.65 121.76 122.39 2abd s ALA 20 Ca 0.84 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 53.57 2abd s ALA 20 Cb -1.00 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 18.56 2abd s ALA 20 CO 0.49 -1.21 1.49 0.22 0.00 0.00 0.00 175.76 176.75 2abd h ASP 21 N 0.94 -1.79 -0.44 0.00 3.58 -1.98 -0.98 116.42 115.74 2abd h ASP 21 Ca -0.51 0.25 0.07 0.00 0.42 0.00 0.00 57.03 57.27 2abd h ASP 21 Cb 1.30 0.76 -0.09 0.00 1.72 0.00 0.00 39.33 43.02 2abd h ASP 21 CO 0.55 -0.30 -0.43 -0.33 -2.88 0.00 0.00 179.24 175.85 2abd h GLU 22 N -0.21 -0.30 -0.37 0.28 5.08 -1.98 0.68 114.58 117.76 2abd h GLU 22 Ca 0.10 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 2abd h GLU 22 Cb 0.46 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 2abd h GLU 22 CO -0.67 -0.20 -0.21 0.93 -1.00 0.00 0.00 179.01 177.87 2abd h GLU 23 N -0.31 -0.14 -0.14 2.33 3.07 -1.57 -1.08 114.58 116.73 2abd h GLU 23 Ca 0.14 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.91 2abd h GLU 23 Cb 0.58 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 2abd h GLU 23 CO -0.59 -0.09 -0.37 0.00 -1.40 0.00 0.00 179.01 176.55 2abd h MET 24 N -0.15 0.29 -0.68 2.33 -0.00 -0.38 -3.03 114.93 113.32 2abd h MET 24 Ca 0.19 -0.13 0.15 0.00 -0.00 0.00 0.00 59.70 59.90 2abd h MET 24 Cb 0.43 -0.01 -0.11 0.00 -0.00 0.00 0.00 31.60 31.91 2abd h MET 24 CO -0.47 0.63 0.02 -0.07 -0.00 0.00 0.00 176.91 177.02 2abd h LEU 25 N 0.25 -0.27 0.02 -0.10 3.38 0.16 0.38 115.31 119.14 2abd h LEU 25 Ca 0.03 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2abd h LEU 25 Cb 0.78 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2abd h LEU 25 CO 0.06 -0.13 -0.03 0.15 0.09 0.00 0.00 178.44 178.58 2abd h PHE 26 N 0.13 -0.09 -0.56 1.13 3.57 -1.32 0.32 116.94 120.11 2abd h PHE 26 Ca 0.36 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.91 2abd h PHE 26 Cb 0.61 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.31 2abd h PHE 26 CO -0.38 -0.04 -0.33 -0.89 -2.23 0.00 0.00 178.31 174.44 2abd n ILE 27 N -2.51 -0.38 -0.11 1.41 -0.00 -0.82 -1.13 119.36 115.82 2abd n ILE 27 Ca -0.01 2.00 -0.10 0.00 -0.00 0.00 0.00 62.75 64.64 2abd n ILE 27 Cb 0.03 -2.53 -0.07 0.00 -0.00 0.00 0.00 39.64 37.06 2abd n ILE 27 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.55 176.77 2abd h TYR 28 N 0.00 -1.24 -0.24 1.39 3.20 -0.14 0.86 116.97 120.80 2abd h TYR 28 Ca 0.09 0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.08 2abd h TYR 28 Cb 0.23 0.58 -0.08 0.00 1.54 0.00 0.00 36.73 39.01 2abd h TYR 28 CO -0.98 -0.35 -0.40 0.66 -1.64 0.00 0.00 178.16 175.45 2abd h SER 29 N -0.27 -1.27 -0.24 -2.11 4.64 0.13 0.29 113.55 114.72 2abd h SER 29 Ca 0.06 0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 2abd h SER 29 Cb 0.42 0.54 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 2abd h SER 29 CO -0.44 -0.39 0.10 0.45 -0.87 0.00 0.00 176.83 175.68 2abd h HIS 30 N -0.40 0.37 0.00 4.77 3.86 -0.90 -0.75 115.15 122.10 2abd h HIS 30 Ca 0.11 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2abd h HIS 30 Cb 0.59 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.95 2abd h HIS 30 CO -0.52 0.39 0.00 0.98 0.86 0.00 0.00 177.93 179.64 2abd n TYR 31 N -4.79 0.00 -0.30 2.45 9.36 0.30 0.77 117.16 124.94 2abd n TYR 31 Ca -0.03 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.29 2abd n TYR 31 Cb 0.13 -0.45 0.23 0.00 -0.63 0.00 0.00 39.34 38.62 2abd n TYR 31 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 2abd h LYS 32 N 0.00 0.09 -0.26 2.98 1.79 -0.44 0.37 116.57 121.09 2abd h LYS 32 Ca 0.00 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2abd h LYS 32 Cb 0.00 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2abd h LYS 32 CO 0.00 0.06 -0.32 0.37 -1.08 0.00 0.00 179.45 178.48 2abd h GLN 33 N 0.09 0.56 0.00 3.15 5.75 -0.02 0.46 115.11 125.09 2abd h GLN 33 Ca 0.51 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.76 2abd h GLN 33 Cb 0.98 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.51 2abd h GLN 33 CO -0.76 0.81 -0.02 0.00 -2.65 0.00 0.00 178.83 176.21 2abd h ALA 34 N 1.18 0.99 0.00 3.38 0.00 0.37 -3.29 119.26 121.89 2abd h ALA 34 Ca 0.06 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2abd h ALA 34 Cb 0.79 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2abd h ALA 34 CO 0.06 0.02 -1.51 0.25 0.00 0.00 0.00 179.25 178.07 2abd n THR 35 N -3.10 0.51 -0.03 0.00 -2.24 0.95 -4.80 114.28 105.57 2abd n THR 35 Ca 0.04 -0.14 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 2abd n THR 35 Cb 0.52 -1.52 -0.13 0.00 -2.10 0.00 0.00 70.33 67.10 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 -0.29 0.85 0.00 2.28 2.07 -0.45 -3.50 116.25 117.21 2abd h VAL 36 Ca -0.23 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 64.99 2abd h VAL 36 Cb 1.22 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2abd h VAL 36 CO -0.13 0.65 0.00 0.61 0.02 0.00 0.00 177.57 178.72 2abd n GLY 37 N 1.73 0.21 3.24 2.17 0.00 0.65 -4.98 105.19 108.21 2abd n GLY 37 Ca -0.30 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.43 2abd n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2abd n ASP 38 N 0.00 -2.48 -4.56 1.61 9.92 -1.26 -3.22 116.55 116.55 2abd n ASP 38 Ca 0.00 -0.10 -0.27 0.00 -0.53 0.00 0.00 54.79 53.89 2abd n ASP 38 Cb 0.00 -0.89 -0.05 0.00 -0.64 0.00 0.00 41.12 39.54 2abd n ASP 38 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2abd s ILE 39 N -2.20 3.48 -0.41 0.53 2.07 -1.26 -4.65 121.20 118.75 2abd s ILE 39 Ca 0.53 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 2abd s ILE 39 Cb -0.09 -4.14 0.39 0.00 0.13 0.00 0.00 42.46 38.75 2abd s ILE 39 CO 0.66 -0.98 1.87 0.59 -1.91 0.00 0.00 174.94 175.18 2abd n ASN 40 N 13.95 5.58 0.00 4.50 3.02 -1.26 -4.73 115.26 136.32 2abd n ASN 40 Ca 0.41 -3.29 0.00 0.00 -0.03 0.00 0.00 54.58 51.67 2abd n ASN 40 Cb 0.47 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 2abd n ASN 40 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2abd n THR 41 N -0.41 0.00 -3.65 3.41 -2.24 -1.26 -5.15 114.28 104.98 2abd n THR 41 Ca 0.44 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 62.08 2abd n THR 41 Cb 0.92 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.08 2abd n THR 41 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2abd s GLU 42 N 4.92 0.92 -0.64 -0.78 -1.05 -1.26 -5.08 118.70 115.72 2abd s GLU 42 Ca 0.00 -0.25 -0.25 0.00 -0.15 0.00 0.00 54.97 54.32 2abd s GLU 42 Cb 0.00 0.41 0.05 0.00 -0.44 0.00 0.00 34.13 34.15 2abd s GLU 42 CO 0.00 -0.31 1.06 0.50 0.95 0.00 0.00 175.26 177.46 2abd s ARG 43 N -2.17 3.22 0.00 -4.83 3.52 -1.26 -4.83 118.95 112.60 2abd s ARG 43 Ca -0.07 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 2abd s ARG 43 Cb -0.01 -4.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.23 2abd s ARG 43 CO -0.00 -1.81 0.00 -2.30 -0.81 0.00 0.00 175.30 170.38 2abd n PRO 44 N 8.15 0.00 0.07 5.12 -0.02 -1.26 -4.84 135.00 142.23 2abd n PRO 44 Ca 0.01 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 2abd n PRO 44 Cb 0.47 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 34.06 2abd n PRO 44 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2abd h GLY 45 N 0.00 0.00 -1.46 -1.23 0.00 -1.96 -3.43 103.07 94.99 2abd h GLY 45 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2abd h GLY 45 CO 0.00 0.00 -0.01 1.03 0.00 0.00 0.00 176.54 177.56 2abd n MET 46 N -2.28 0.41 -1.41 4.80 2.81 -1.26 -4.94 117.12 115.25 2abd n MET 46 Ca 0.02 -2.85 -0.39 0.00 -1.81 0.00 0.00 57.70 52.67 2abd n MET 46 Cb 0.47 -0.35 -0.02 0.00 -0.71 0.00 0.00 33.22 32.61 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 8.03 -2.19 4.03 7.99 -1.26 -4.54 117.00 129.06 2abd n LEU 47 Ca 0.16 -4.23 -0.30 0.00 -0.01 0.00 0.00 56.01 51.62 2abd n LEU 47 Cb 0.57 -1.57 0.05 0.00 -0.11 0.00 0.00 43.42 42.36 2abd n LEU 47 CO 0.37 1.71 0.89 0.47 -1.51 0.00 0.00 177.39 179.33 2abd n ASP 48 N 4.40 6.46 -0.35 -1.43 9.92 -1.26 -4.64 116.55 129.65 2abd n ASP 48 Ca 0.69 -3.77 0.07 0.00 -0.53 0.00 0.00 54.79 51.25 2abd n ASP 48 Cb 0.28 -0.70 0.25 0.00 -0.64 0.00 0.00 41.12 40.31 2abd n ASP 48 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2abd h PHE 49 N 2.07 1.11 -0.04 1.24 0.04 -1.91 0.38 116.94 119.84 2abd h PHE 49 Ca 0.50 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.29 2abd h PHE 49 Cb 1.14 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 2abd h PHE 49 CO 1.18 0.46 0.01 0.36 -0.60 0.00 0.00 178.31 179.73 2abd n LYS 50 N -4.59 1.16 0.02 1.51 -0.00 -1.26 -3.68 118.16 111.32 2abd n LYS 50 Ca 0.18 -0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2abd n LYS 50 Cb 0.34 -1.36 0.00 0.00 -0.00 0.00 0.00 35.03 34.01 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2abd n GLY 51 N 0.18 -0.03 0.60 2.58 0.00 0.11 -4.88 105.19 103.74 2abd n GLY 51 Ca 0.02 0.00 0.42 0.00 0.00 0.00 0.00 46.02 46.47 2abd n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2abd n LYS 52 N -2.71 0.00 -0.16 1.61 0.00 0.39 -1.72 118.16 115.57 2abd n LYS 52 Ca 0.00 0.95 -0.10 0.00 0.00 0.00 0.00 58.31 59.16 2abd n LYS 52 Cb 0.09 -2.24 -0.06 0.00 0.00 0.00 0.00 35.03 32.83 2abd n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2abd h ALA 53 N 0.78 -0.48 -0.72 3.14 0.00 -1.84 0.54 119.26 120.69 2abd h ALA 53 Ca 0.75 0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.88 2abd h ALA 53 Cb 3.20 0.98 -0.11 0.00 0.00 0.00 0.00 17.79 21.86 2abd h ALA 53 CO -0.01 -0.90 0.11 0.87 0.00 0.00 0.00 179.25 179.32 2abd h LYS 54 N -0.30 0.19 0.43 0.00 1.79 -1.72 0.36 116.57 117.33 2abd h LYS 54 Ca 0.14 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2abd h LYS 54 Cb 0.58 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 2abd h LYS 54 CO -0.63 0.13 -0.49 2.35 -1.08 0.00 0.00 179.45 179.73 2abd h TRP 55 N 0.20 -1.37 0.05 -1.35 7.01 -0.25 -0.15 115.95 120.09 2abd h TRP 55 Ca 0.40 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.44 2abd h TRP 55 Cb 0.69 0.54 -0.04 0.00 -2.10 0.00 0.00 29.16 28.26 2abd h TRP 55 CO -0.32 -0.64 -0.23 -0.44 -2.79 0.00 0.00 178.44 174.03 2abd h ASP 56 N -0.94 -0.66 -0.65 2.65 3.32 0.49 0.50 116.42 121.13 2abd h ASP 56 Ca -0.05 0.09 0.13 0.00 0.02 0.00 0.00 57.03 57.21 2abd h ASP 56 Cb 0.83 0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.51 2abd h ASP 56 CO -0.09 -0.30 -0.21 0.00 -1.72 0.00 0.00 179.24 176.91 2abd h ALA 57 N 0.44 0.32 0.42 3.45 0.00 -0.12 0.20 119.26 123.98 2abd h ALA 57 Ca 0.05 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2abd h ALA 57 Cb 0.44 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2abd h ALA 57 CO -0.17 -0.49 -0.20 2.35 0.00 0.00 0.00 179.25 180.74 2abd h TRP 58 N -0.05 -0.52 -0.97 0.00 7.01 -0.45 -3.14 115.95 117.83 2abd h TRP 58 Ca 0.30 -0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.48 2abd h TRP 58 Cb 0.51 0.17 -0.18 0.00 -2.10 0.00 0.00 29.16 27.56 2abd h TRP 58 CO -0.57 -0.20 -0.25 -0.97 -2.79 0.00 0.00 178.44 173.66 2abd h ASN 59 N -0.85 -0.93 -1.61 2.65 -1.24 0.11 0.22 115.58 113.93 2abd h ASN 59 Ca -0.06 0.29 0.47 0.00 0.71 0.00 0.00 56.30 57.71 2abd h ASN 59 Cb 0.55 0.61 -0.06 0.00 0.73 0.00 0.00 38.32 40.15 2abd h ASN 59 CO 0.09 -0.32 1.25 1.21 -1.29 0.00 0.00 177.43 178.38 2abd n GLU 60 N -5.60 0.00 0.02 6.67 4.07 0.61 0.60 120.64 127.01 2abd n GLU 60 Ca 0.15 0.96 -0.20 0.00 -0.06 0.00 0.00 57.16 58.02 2abd n GLU 60 Cb 0.48 -2.26 -0.14 0.00 -0.06 0.00 0.00 31.44 29.45 2abd n GLU 60 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2abd h LEU 61 N 0.00 0.40 0.00 4.31 3.38 -0.69 -3.48 115.31 119.23 2abd h LEU 61 Ca 0.77 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2abd h LEU 61 Cb 3.26 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 43.88 2abd h LEU 61 CO -0.01 1.69 0.00 1.17 0.09 0.00 0.00 178.44 181.39 2abd n LYS 62 N -3.44 0.00 0.00 1.13 0.00 0.20 -0.36 118.16 115.69 2abd n LYS 62 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.04 2abd n LYS 62 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.08 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 1.65 3.88 3.14 0.00 -1.26 -4.94 105.19 107.66 2abd n GLY 63 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.65 4.79 -0.17 2.61 2.01 0.51 -4.92 115.64 118.83 2abd s THR 64 Ca 0.00 0.58 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 2abd s THR 64 Cb 0.00 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 2abd s THR 64 CO 0.00 -0.94 2.12 -0.24 -0.69 0.00 0.00 174.62 174.87 2abd n SER 65 N -2.35 3.32 -0.27 3.53 2.88 -1.26 -4.76 113.62 114.71 2abd n SER 65 Ca 0.03 0.48 0.24 0.00 -1.33 0.00 0.00 58.87 58.29 2abd n SER 65 Cb 0.54 -1.48 0.40 0.00 -0.75 0.00 0.00 64.21 62.92 2abd n SER 65 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2abd n LYS 66 N 8.15 -0.03 0.03 -1.46 0.00 -1.26 0.75 118.16 124.34 2abd n LYS 66 Ca 0.29 0.79 -0.22 0.00 0.00 0.00 0.00 58.31 59.16 2abd n LYS 66 Cb 0.39 -1.52 -0.14 0.00 0.00 0.00 0.00 35.03 33.75 2abd n LYS 66 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2abd h GLU 67 N 0.00 0.30 -0.66 1.64 4.39 -1.87 -3.17 114.58 115.21 2abd h GLU 67 Ca 0.54 -0.51 0.14 0.00 0.34 0.00 0.00 59.36 59.87 2abd h GLU 67 Cb 1.66 0.19 -0.11 0.00 -0.10 0.00 0.00 28.75 30.40 2abd h GLU 67 CO -0.33 1.24 0.04 -0.44 -1.16 0.00 0.00 179.01 178.37 2abd h ASP 68 N -0.14 -0.21 -0.41 1.42 5.19 -0.02 0.42 116.42 122.67 2abd h ASP 68 Ca -0.33 0.16 0.07 0.00 -0.62 0.00 0.00 57.03 56.31 2abd h ASP 68 Cb 1.89 0.26 -0.06 0.00 0.18 0.00 0.00 39.33 41.60 2abd h ASP 68 CO 0.10 -0.10 0.04 0.00 -3.12 0.00 0.00 179.24 176.16 2abd h ALA 69 N 1.59 0.41 0.01 3.45 0.00 -1.34 0.34 119.26 123.72 2abd h ALA 69 Ca 0.35 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 2abd h ALA 69 Cb 0.59 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2abd h ALA 69 CO -0.54 -0.36 -0.00 0.52 0.00 0.00 0.00 179.25 178.87 2abd h MET 70 N 0.15 -0.01 0.45 0.00 2.86 -0.26 0.18 114.93 118.31 2abd h MET 70 Ca 0.20 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 2abd h MET 70 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2abd h MET 70 CO -0.30 0.06 -0.22 -0.22 1.06 0.00 0.00 176.91 177.29 2abd h LYS 71 N -0.07 -0.59 -0.44 1.72 1.63 -0.77 -1.62 116.57 116.43 2abd h LYS 71 Ca -0.00 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.89 2abd h LYS 71 Cb 0.07 0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 31.75 2abd h LYS 71 CO 0.00 -0.29 -0.54 0.00 -3.45 0.00 0.00 179.45 175.18 2abd h ALA 72 N -0.43 -0.74 -0.96 5.00 0.00 -0.33 0.87 119.26 122.68 2abd h ALA 72 Ca -0.06 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.02 2abd h ALA 72 Cb 0.57 1.14 -0.17 0.00 0.00 0.00 0.00 17.79 19.32 2abd h ALA 72 CO 0.10 -1.01 -0.33 -0.92 0.00 0.00 0.00 179.25 177.10 2abd h TYR 73 N -0.34 -0.85 0.87 0.00 3.20 -0.49 0.35 116.97 119.71 2abd h TYR 73 Ca 0.08 0.10 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 2abd h TYR 73 Cb 0.55 0.52 0.01 0.00 1.54 0.00 0.00 36.73 39.34 2abd h TYR 73 CO -0.75 -0.41 -0.42 0.82 -1.64 0.00 0.00 178.16 175.76 2abd h ILE 74 N -0.01 0.01 -1.58 1.81 2.04 0.09 0.77 117.51 120.64 2abd h ILE 74 Ca 0.39 -0.14 0.47 0.00 1.00 0.00 0.00 64.86 66.58 2abd h ILE 74 Cb 0.64 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.65 2abd h ILE 74 CO -0.97 0.00 1.10 0.44 0.00 0.00 0.00 178.15 178.72 2abd h ASP 75 N -1.30 0.09 0.27 1.72 5.19 0.39 0.74 116.42 123.52 2abd h ASP 75 Ca -0.12 0.04 -0.33 0.00 -0.62 0.00 0.00 57.03 56.00 2abd h ASP 75 Cb 0.90 0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.40 2abd h ASP 75 CO 0.20 -0.05 -1.98 1.17 -3.12 0.00 0.00 179.24 175.45 2abd n LYS 76 N -4.24 0.67 -0.22 3.56 3.00 0.11 -3.97 118.16 117.07 2abd n LYS 76 Ca 0.38 0.21 -0.07 0.00 -0.00 0.00 0.00 58.31 58.82 2abd n LYS 76 Cb 1.64 -1.69 0.03 0.00 0.00 0.00 0.00 35.03 35.01 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 0.01 1.23 -0.19 3.15 2.07 0.66 0.13 116.25 123.31 2abd h VAL 77 Ca -0.39 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 66.46 2abd h VAL 77 Cb 2.07 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2abd h VAL 77 CO 0.06 0.28 0.69 -0.33 0.02 0.00 0.00 177.57 178.29 2abd h GLU 78 N 0.85 0.00 0.27 1.57 3.07 -0.73 0.53 114.58 120.14 2abd h GLU 78 Ca 0.20 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 2abd h GLU 78 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2abd h GLU 78 CO -0.02 0.00 -0.13 0.93 -1.40 0.00 0.00 179.01 178.39 2abd h GLU 79 N 0.00 -0.35 -0.41 2.33 5.08 -0.92 -3.30 114.58 117.01 2abd h GLU 79 Ca 0.09 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2abd h GLU 79 Cb 1.48 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.74 2abd h GLU 79 CO -0.00 -0.16 0.04 -0.07 -1.00 0.00 0.00 179.01 177.82 2abd h LEU 80 N -1.07 -0.08 -1.57 1.33 3.38 -0.40 0.15 115.31 117.06 2abd h LEU 80 Ca -0.04 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2abd h LEU 80 Cb 0.35 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2abd h LEU 80 CO 0.06 -0.00 0.55 0.50 0.09 0.00 0.00 178.44 179.64 2abd h LYS 81 N 0.16 0.00 0.00 1.13 3.64 -0.28 0.50 116.57 121.71 2abd h LYS 81 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2abd h LYS 81 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2abd h LYS 81 CO -0.30 0.00 -0.44 1.17 -2.27 0.00 0.00 179.45 177.62 2abd n LYS 82 N -3.06 0.23 -0.30 1.90 4.81 -0.49 -2.37 118.16 118.89 2abd n LYS 82 Ca 0.03 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2abd n LYS 82 Cb 0.64 -0.87 0.05 0.00 0.02 0.00 0.00 35.03 34.87 2abd n LYS 82 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2abd n LYS 83 N -3.42 -0.16 -0.14 1.64 4.81 0.42 -2.33 118.16 118.99 2abd n LYS 83 Ca -0.06 1.22 -0.28 0.00 -0.87 0.00 0.00 58.31 58.32 2abd n LYS 83 Cb 0.23 -1.81 -0.10 0.00 0.02 0.00 0.00 35.03 33.37 2abd n LYS 83 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2abd n TYR 84 N -5.18 0.05 0.00 5.64 4.01 0.15 -4.99 117.16 116.84 2abd n TYR 84 Ca 0.09 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2abd n TYR 84 Cb 0.33 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.35 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 1.44 0.01 0.00 2.72 0.00 0.22 -3.15 105.19 106.43 2abd n GLY 85 Ca -0.52 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 45.62 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71