#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 1.07 0.00 1.43 0.74 -1.26 -5.17 119.66 116.47 2abd s GLN 2 Ca 0.00 -1.41 0.00 0.00 0.05 0.00 0.00 55.36 54.00 2abd s GLN 2 Cb 0.00 -0.72 0.00 0.00 1.10 0.00 0.00 33.01 33.39 2abd s GLN 2 CO 0.00 0.10 0.00 0.00 -0.55 0.00 0.00 175.29 174.84 2abd n ALA 3 N -0.04 0.00 -0.72 1.58 0.00 -1.26 -4.94 120.51 115.13 2abd n ALA 3 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.40 2abd n ALA 3 Cb 0.60 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.42 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 4.38 -0.14 0.00 0.28 -1.26 -4.43 120.64 119.47 2abd n GLU 4 Ca 0.00 -2.94 -0.04 0.00 -0.16 0.00 0.00 57.16 54.02 2abd n GLU 4 Cb 0.00 -2.12 0.05 0.00 1.43 0.00 0.00 31.44 30.80 2abd n GLU 4 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2abd h PHE 5 N 3.89 0.12 0.00 -1.84 3.57 -1.92 0.53 116.94 121.29 2abd h PHE 5 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2abd h PHE 5 Cb 1.75 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.51 2abd h PHE 5 CO 0.95 -0.01 0.00 -0.25 -2.23 0.00 0.00 178.31 176.77 2abd n ASP 6 N -5.12 0.00 -0.07 0.41 8.00 -1.26 -0.04 116.55 118.47 2abd n ASP 6 Ca 0.04 0.20 -0.22 0.00 0.71 0.00 0.00 54.79 55.51 2abd n ASP 6 Cb 0.21 -0.35 -0.12 0.00 -0.02 0.00 0.00 41.12 40.84 2abd n ASP 6 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2abd n LYS 7 N -1.35 0.64 -0.14 -1.24 4.81 0.56 -1.47 118.16 119.97 2abd n LYS 7 Ca 0.06 0.42 -0.06 0.00 -0.87 0.00 0.00 58.31 57.87 2abd n LYS 7 Cb 0.14 -1.70 0.01 0.00 0.02 0.00 0.00 35.03 33.50 2abd n LYS 7 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2abd h ALA 8 N -0.33 0.01 0.10 3.14 0.00 0.10 0.30 119.26 122.59 2abd h ALA 8 Ca -0.42 0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2abd h ALA 8 Cb 1.61 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 19.95 2abd h ALA 8 CO -0.12 -0.62 -0.49 0.00 0.00 0.00 0.00 179.25 178.02 2abd h ALA 9 N 1.03 -0.88 -0.98 0.00 0.00 -0.55 0.39 119.26 118.27 2abd h ALA 9 Ca 0.20 -0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.33 2abd h ALA 9 Cb 0.49 0.83 -0.15 0.00 0.00 0.00 0.00 17.79 18.96 2abd h ALA 9 CO -0.54 -1.07 0.50 1.49 0.00 0.00 0.00 179.25 179.63 2abd h GLU 10 N -0.70 0.28 0.00 0.00 4.81 0.43 0.15 114.58 119.55 2abd h GLU 10 Ca 0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2abd h GLU 10 Cb 0.73 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2abd h GLU 10 CO -0.29 0.19 -0.00 0.93 -0.73 0.00 0.00 179.01 179.11 2abd h GLU 11 N 0.29 -0.00 -0.68 1.92 5.08 -0.02 -3.31 114.58 117.85 2abd h GLU 11 Ca 0.70 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 59.21 2abd h GLU 11 Cb 1.58 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.72 2abd h GLU 11 CO -0.63 -0.00 0.12 -0.24 -1.00 0.00 0.00 179.01 177.27 2abd h VAL 12 N -0.53 0.53 0.00 3.13 3.04 -0.04 0.49 116.25 122.87 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 0.00 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 29.56 2abd h VAL 12 CO 0.00 0.04 0.00 0.29 -1.01 0.00 0.00 177.57 176.89 2abd n LYS 13 N -5.19 0.07 -0.01 4.17 5.02 0.52 -2.90 118.16 119.84 2abd n LYS 13 Ca 0.12 0.26 0.06 0.00 -2.02 0.00 0.00 58.31 56.73 2abd n LYS 13 Cb 0.41 -1.62 -0.11 0.00 -0.02 0.00 0.00 35.03 33.69 2abd n LYS 13 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2abd n HIS 14 N -1.75 0.00 0.00 2.13 -0.00 0.30 -5.04 115.22 110.86 2abd n HIS 14 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2abd n HIS 14 Cb 0.23 -0.34 0.00 0.00 -0.12 0.00 0.00 29.99 29.75 2abd n HIS 14 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2abd n LEU 15 N -2.02 0.00 -0.04 0.27 4.77 0.15 -4.65 117.00 115.48 2abd n LEU 15 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2abd n LEU 15 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2abd n LEU 15 CO 0.28 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.51 2abd n LYS 16 N 0.00 0.00 -4.13 3.23 4.81 -0.69 -4.61 118.16 116.77 2abd n LYS 16 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 2abd n LYS 16 Cb 0.00 -0.99 -0.05 0.00 0.02 0.00 0.00 35.03 34.01 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 -1.47 0.00 -1.08 3.15 2.01 -1.26 -5.04 115.64 111.94 2abd s THR 17 Ca 0.00 -1.67 -0.06 0.00 0.31 0.00 0.00 61.69 60.27 2abd s THR 17 Cb 0.00 -2.65 0.29 0.00 0.01 0.00 0.00 72.50 70.15 2abd s THR 17 CO 0.00 0.00 1.26 1.17 -0.69 0.00 0.00 174.62 176.36 2abd n LYS 18 N -0.60 3.91 -0.87 4.92 4.81 -1.26 -5.07 118.16 124.00 2abd n LYS 18 Ca 0.02 -4.51 -0.28 0.00 -0.87 0.00 0.00 58.31 52.68 2abd n LYS 18 Cb 0.61 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.15 2abd n LYS 18 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2abd n PRO 19 N 2.02 0.00 -2.07 1.64 -0.02 -1.26 -4.86 135.00 130.46 2abd n PRO 19 Ca 0.25 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.37 2abd n PRO 19 Cb 0.36 -0.68 0.02 0.00 -0.02 0.00 0.00 33.50 33.19 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 -1.23 2.66 0.13 3.55 0.00 -1.26 -4.73 121.76 120.88 2abd s ALA 20 Ca 0.39 1.00 -0.32 0.00 0.00 0.00 0.00 51.96 53.04 2abd s ALA 20 Cb -0.39 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.19 2abd s ALA 20 CO 0.43 -1.05 1.56 0.22 0.00 0.00 0.00 175.76 176.93 2abd h ASP 21 N 1.17 -1.66 -0.94 0.00 3.58 -1.99 -0.45 116.42 116.12 2abd h ASP 21 Ca -0.50 0.21 0.20 0.00 0.42 0.00 0.00 57.03 57.36 2abd h ASP 21 Cb 1.29 0.67 -0.11 0.00 1.72 0.00 0.00 39.33 42.89 2abd h ASP 21 CO 0.56 -0.44 0.52 -0.33 -2.88 0.00 0.00 179.24 176.67 2abd h GLU 22 N -0.49 0.59 0.48 0.28 4.39 -1.97 0.54 114.58 118.40 2abd h GLU 22 Ca 0.06 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2abd h GLU 22 Cb 0.64 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2abd h GLU 22 CO -0.49 0.39 -0.31 0.93 -1.16 0.00 0.00 179.01 178.37 2abd h GLU 23 N 0.61 -0.73 -0.54 2.33 5.08 -1.49 0.28 114.58 120.11 2abd h GLU 23 Ca 0.56 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 59.08 2abd h GLU 23 Cb 0.96 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 2abd h GLU 23 CO -0.43 -0.49 -0.02 0.52 -1.00 0.00 0.00 179.01 177.59 2abd h MET 24 N -0.76 0.09 -0.05 2.33 2.86 0.21 0.61 114.93 120.23 2abd h MET 24 Ca -0.05 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2abd h MET 24 Cb 0.63 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 2abd h MET 24 CO 0.04 0.06 -0.27 -0.07 1.06 0.00 0.00 176.91 177.73 2abd h LEU 25 N 0.10 -0.83 0.50 1.22 -0.00 0.50 0.45 115.31 117.25 2abd h LEU 25 Ca 0.28 0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 58.25 2abd h LEU 25 Cb 0.43 0.34 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 2abd h LEU 25 CO -0.47 -0.33 -0.39 0.15 -0.00 0.00 0.00 178.44 177.39 2abd h PHE 26 N -0.39 -1.07 -0.22 1.13 3.57 0.30 0.36 116.94 120.63 2abd h PHE 26 Ca 0.08 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2abd h PHE 26 Cb 0.50 0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 2abd h PHE 26 CO -0.33 -0.55 -0.23 0.82 -2.23 0.00 0.00 178.31 175.80 2abd h ILE 27 N -0.86 0.00 -0.24 1.41 5.03 -0.69 -0.42 117.51 121.75 2abd h ILE 27 Ca -0.07 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.71 2abd h ILE 27 Cb 0.72 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.44 2abd h ILE 27 CO 0.01 0.00 -0.49 0.22 -0.68 0.00 0.00 178.15 177.21 2abd h TYR 28 N -0.12 -1.48 -0.56 1.37 3.20 -0.03 0.37 116.97 119.72 2abd h TYR 28 Ca 0.04 0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.03 2abd h TYR 28 Cb 0.22 0.68 -0.09 0.00 1.54 0.00 0.00 36.73 39.08 2abd h TYR 28 CO -0.72 -0.46 -0.55 0.66 -1.64 0.00 0.00 178.16 175.44 2abd h SER 29 N -0.44 -1.88 0.60 -2.11 4.64 0.01 0.29 113.55 114.67 2abd h SER 29 Ca 0.05 0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.60 2abd h SER 29 Cb 0.57 0.79 0.01 0.00 -0.31 0.00 0.00 62.40 63.46 2abd h SER 29 CO -0.46 -0.36 -0.29 0.45 -0.87 0.00 0.00 176.83 175.31 2abd h HIS 30 N -0.29 -0.75 -0.05 4.77 3.86 -0.76 -0.62 115.15 121.31 2abd h HIS 30 Ca 0.11 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2abd h HIS 30 Cb 0.55 0.25 -0.04 0.00 1.06 0.00 0.00 27.41 29.23 2abd h HIS 30 CO -0.79 -0.44 -0.35 -0.92 0.86 0.00 0.00 177.93 176.30 2abd h TYR 31 N -0.89 -1.02 -0.85 2.45 3.20 0.23 0.39 116.97 120.48 2abd h TYR 31 Ca -0.08 0.04 0.19 0.00 3.14 0.00 0.00 58.73 62.02 2abd h TYR 31 Cb 0.65 0.45 -0.16 0.00 1.54 0.00 0.00 36.73 39.22 2abd h TYR 31 CO -0.02 -0.35 -0.08 0.87 -1.64 0.00 0.00 178.16 176.93 2abd h LYS 32 N -0.39 0.04 0.52 1.82 1.79 -0.46 0.18 116.57 120.07 2abd h LYS 32 Ca 0.02 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2abd h LYS 32 Cb 0.44 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2abd h LYS 32 CO -0.26 0.03 -0.25 1.96 -1.08 0.00 0.00 179.45 179.84 2abd h GLN 33 N 0.04 -0.68 -1.01 3.15 1.08 0.55 0.14 115.11 118.39 2abd h GLN 33 Ca 0.45 0.05 0.23 0.00 -1.45 0.00 0.00 58.65 57.93 2abd h GLN 33 Cb 0.79 0.15 -0.10 0.00 -0.05 0.00 0.00 27.48 28.27 2abd h GLN 33 CO -0.81 -0.39 0.62 0.00 -0.95 0.00 0.00 178.83 177.31 2abd h ALA 34 N -0.47 1.93 0.00 3.87 0.00 0.12 -2.36 119.26 122.35 2abd h ALA 34 Ca -0.07 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2abd h ALA 34 Cb 0.60 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2abd h ALA 34 CO 0.12 -0.34 -1.17 0.25 0.00 0.00 0.00 179.25 178.11 2abd n THR 35 N -4.73 1.49 -0.08 0.00 -2.24 0.50 -4.80 114.28 104.42 2abd n THR 35 Ca 0.25 0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.94 2abd n THR 35 Cb 0.73 -2.25 -0.09 0.00 -2.10 0.00 0.00 70.33 66.62 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 1.02 0.00 2.28 2.07 -1.03 -3.51 116.25 116.08 2abd h VAL 36 Ca -0.16 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.43 2abd h VAL 36 Cb 1.01 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2abd h VAL 36 CO -0.10 0.35 0.00 0.61 0.02 0.00 0.00 177.57 178.45 2abd n GLY 37 N 1.58 0.02 3.61 2.17 0.00 0.26 -5.00 105.19 107.84 2abd n GLY 37 Ca -0.15 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 5.78 0.00 1.61 1.11 -1.26 -3.60 116.67 116.31 2abd s ASP 38 Ca 0.00 1.95 0.00 0.00 0.18 0.00 0.00 52.55 54.68 2abd s ASP 38 Cb 0.00 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.47 2abd s ASP 38 CO 0.00 -1.69 0.00 0.00 1.18 0.00 0.00 175.17 174.66 2abd n ILE 39 N 7.15 0.00 -1.80 0.77 3.06 -1.26 -4.88 119.36 122.41 2abd n ILE 39 Ca 0.26 0.00 -0.21 0.00 -2.50 0.00 0.00 62.75 60.30 2abd n ILE 39 Cb 0.44 0.00 0.07 0.00 0.54 0.00 0.00 39.64 40.69 2abd n ILE 39 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2abd n ASN 40 N 0.00 4.85 -0.02 9.51 3.02 -1.26 -4.62 115.26 126.74 2abd n ASN 40 Ca 0.00 -3.78 -0.03 0.00 -0.03 0.00 0.00 54.58 50.74 2abd n ASN 40 Cb 0.00 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 38.65 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 -0.83 0.19 0.00 3.41 -2.24 -1.26 -5.15 114.28 108.40 2abd n THR 41 Ca 0.44 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 2abd n THR 41 Cb 0.90 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.94 0.00 -1.55 -0.78 1.02 -1.26 -4.87 120.64 110.26 2abd n GLU 42 Ca -0.06 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.71 2abd n GLU 42 Cb 0.55 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.94 2abd n GLU 42 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2abd n ARG 43 N 0.03 1.05 0.00 3.49 0.63 -1.26 -4.86 116.66 115.74 2abd n ARG 43 Ca 0.00 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2abd n ARG 43 Cb 0.00 -3.34 0.00 0.00 0.45 0.00 0.00 32.46 29.57 2abd n ARG 43 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2abd n PRO 44 N 8.96 0.00 0.04 -0.14 -0.02 -1.26 -4.94 135.00 137.65 2abd n PRO 44 Ca 0.38 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2abd n PRO 44 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 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 0.00 -0.05 0.13 -1.23 0.00 -1.26 -4.84 105.19 97.94 2abd n GLY 45 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.34 0.63 -2.58 1.61 2.81 -1.26 -4.57 117.12 110.43 2abd n MET 46 Ca 0.00 0.24 -0.42 0.00 -1.81 0.00 0.00 57.70 55.71 2abd n MET 46 Cb 0.13 -1.55 0.01 0.00 -0.71 0.00 0.00 33.22 31.10 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 -3.76 7.01 0.04 4.03 4.77 -1.26 -4.78 117.00 123.05 2abd n LEU 47 Ca -0.47 -5.07 -0.02 0.00 -0.03 0.00 0.00 56.01 50.42 2abd n LEU 47 Cb 0.93 -1.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 2abd n LEU 47 CO 0.18 1.77 0.19 0.44 -1.33 0.00 0.00 177.39 178.65 2abd h ASP 48 N 5.06 -0.11 0.00 -1.43 5.19 -1.89 -3.05 116.42 120.19 2abd h ASP 48 Ca 0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 2abd h ASP 48 Cb 0.49 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2abd h ASP 48 CO 1.39 0.00 0.00 2.22 -3.12 0.00 0.00 179.24 179.73 2abd n PHE 49 N -2.80 0.00 -1.58 4.55 -1.74 -1.26 0.31 117.46 114.94 2abd n PHE 49 Ca -0.02 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.53 2abd n PHE 49 Cb 0.05 0.00 0.06 0.00 1.52 0.00 0.00 39.48 41.11 2abd n PHE 49 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 2abd n LYS 50 N -0.47 2.87 0.04 3.97 4.76 -1.26 -4.03 118.16 124.03 2abd n LYS 50 Ca 0.00 -3.51 -0.00 0.00 -2.87 0.00 0.00 58.31 51.93 2abd n LYS 50 Cb 0.00 -2.28 -0.00 0.00 -1.84 0.00 0.00 35.03 30.91 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 -0.81 -0.04 0.36 0.72 0.00 0.15 -4.47 105.19 101.11 2abd n GLY 51 Ca 0.58 -0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.01 0.43 0.62 1.61 6.56 -0.92 0.16 116.57 125.03 2abd h LYS 52 Ca -0.00 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 2abd h LYS 52 Cb 0.25 -0.10 0.01 0.00 -0.57 0.00 0.00 32.23 31.82 2abd h LYS 52 CO -0.00 0.29 -0.30 0.00 -2.06 0.00 0.00 179.45 177.38 2abd h ALA 53 N 1.74 -1.16 -0.71 3.86 0.00 -1.75 0.45 119.26 121.69 2abd h ALA 53 Ca 0.67 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.54 2abd h ALA 53 Cb 1.49 0.32 -0.14 0.00 0.00 0.00 0.00 17.79 19.47 2abd h ALA 53 CO -0.48 -1.10 -0.20 0.87 0.00 0.00 0.00 179.25 178.33 2abd h LYS 54 N -0.88 -0.02 -0.08 0.00 6.56 -1.25 0.21 116.57 121.11 2abd h LYS 54 Ca -0.09 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.53 2abd h LYS 54 Cb 0.64 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.25 2abd h LYS 54 CO 0.14 -0.01 -0.46 2.35 -2.06 0.00 0.00 179.45 179.41 2abd h TRP 55 N -0.02 -1.37 -0.21 -1.35 7.01 -0.66 -0.45 115.95 118.90 2abd h TRP 55 Ca 0.33 0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.43 2abd h TRP 55 Cb 0.53 0.61 -0.04 0.00 -2.10 0.00 0.00 29.16 28.16 2abd h TRP 55 CO -0.59 -0.47 -0.07 -0.44 -2.79 0.00 0.00 178.44 174.07 2abd h ASP 56 N -0.52 -0.26 -0.47 2.65 3.32 0.11 0.45 116.42 121.70 2abd h ASP 56 Ca 0.02 0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.24 2abd h ASP 56 Cb 0.59 0.16 -0.09 0.00 0.22 0.00 0.00 39.33 40.21 2abd h ASP 56 CO -0.35 -0.10 -0.13 0.00 -1.72 0.00 0.00 179.24 176.94 2abd h ALA 57 N 1.16 0.29 0.13 3.45 0.00 -0.04 0.17 119.26 124.42 2abd h ALA 57 Ca 0.11 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2abd h ALA 57 Cb 0.20 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2abd h ALA 57 CO -0.24 -0.46 -0.06 2.35 0.00 0.00 0.00 179.25 180.84 2abd h TRP 58 N -0.02 -0.16 -0.92 0.00 7.01 -0.35 -3.05 115.95 118.46 2abd h TRP 58 Ca 0.23 -0.00 0.23 0.00 2.11 0.00 0.00 58.89 61.45 2abd h TRP 58 Cb 0.36 0.05 -0.13 0.00 -2.10 0.00 0.00 29.16 27.35 2abd h TRP 58 CO -0.41 0.16 0.43 -0.97 -2.79 0.00 0.00 178.44 174.86 2abd h ASN 59 N -0.50 0.39 -0.97 2.65 -1.24 0.41 0.44 115.58 116.75 2abd h ASN 59 Ca -0.02 0.15 0.26 0.00 0.71 0.00 0.00 56.30 57.41 2abd h ASN 59 Cb 0.40 0.12 -0.13 0.00 0.73 0.00 0.00 38.32 39.44 2abd h ASN 59 CO 0.03 0.01 0.52 -0.08 -1.29 0.00 0.00 177.43 176.62 2abd h GLU 60 N 0.42 0.43 0.01 6.67 4.81 -0.56 -2.15 114.58 124.21 2abd h GLU 60 Ca 0.58 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.78 2abd h GLU 60 Cb 1.11 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2abd h GLU 60 CO -0.53 0.29 -0.00 -0.07 -0.73 0.00 0.00 179.01 177.97 2abd h LEU 61 N 0.44 -0.01 0.00 1.64 3.38 -0.23 -3.47 115.31 117.07 2abd h LEU 61 Ca 0.65 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2abd h LEU 61 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2abd h LEU 61 CO -0.54 0.86 0.00 1.17 0.09 0.00 0.00 178.44 180.02 2abd n LYS 62 N -4.67 0.00 0.00 1.13 0.00 -0.35 -0.67 118.16 113.60 2abd n LYS 62 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.22 2abd n LYS 62 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.43 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 1.88 3.92 3.14 0.00 -1.26 -4.95 105.19 107.93 2abd n GLY 63 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 4.94 -0.38 2.61 -1.32 0.15 -4.96 115.64 114.69 2abd s THR 64 Ca 0.00 -0.05 -0.35 0.00 -1.21 0.00 0.00 61.69 60.08 2abd s THR 64 Cb 0.00 -3.85 -0.12 0.00 -1.51 0.00 0.00 72.50 67.02 2abd s THR 64 CO 0.00 -0.73 2.21 -0.24 -2.21 0.00 0.00 174.62 173.64 2abd n SER 65 N -2.10 1.99 -0.41 8.08 2.88 -1.26 -4.76 113.62 118.04 2abd n SER 65 Ca -0.01 0.40 0.36 0.00 -1.33 0.00 0.00 58.87 58.28 2abd n SER 65 Cb 0.56 -1.24 0.63 0.00 -0.75 0.00 0.00 64.21 63.41 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 12.34 0.04 -0.00 -1.46 3.64 -1.91 0.73 116.57 129.95 2abd h LYS 66 Ca -0.25 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2abd h LYS 66 Cb 1.33 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2abd h LYS 66 CO 1.04 0.03 -0.00 0.93 -2.27 0.00 0.00 179.45 179.17 2abd h GLU 67 N 0.05 0.01 -0.57 1.90 3.07 -1.91 0.17 114.58 117.30 2abd h GLU 67 Ca 0.85 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.74 2abd h GLU 67 Cb 2.52 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 30.39 2abd h GLU 67 CO -0.56 0.45 0.33 -0.44 -1.40 0.00 0.00 179.01 177.40 2abd h ASP 68 N -0.43 0.52 0.43 1.42 3.32 -0.01 0.59 116.42 122.25 2abd h ASP 68 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2abd h ASP 68 Cb 0.45 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2abd h ASP 68 CO 0.00 0.36 -0.45 0.00 -1.72 0.00 0.00 179.24 177.43 2abd h ALA 69 N 1.27 -0.98 0.41 3.45 0.00 -0.55 0.26 119.26 123.11 2abd h ALA 69 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2abd h ALA 69 Cb 0.06 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2abd h ALA 69 CO -0.12 -1.09 -0.50 0.52 0.00 0.00 0.00 179.25 178.06 2abd h MET 70 N -0.90 -0.90 0.00 0.00 2.86 -0.07 -1.17 114.93 114.76 2abd h MET 70 Ca -0.04 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2abd h MET 70 Cb 0.79 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.66 2abd h MET 70 CO -0.07 -0.60 0.00 1.63 1.06 0.00 0.00 176.91 178.92 2abd n LYS 71 N -5.54 0.00 -0.39 1.72 5.02 0.20 -2.08 118.16 117.08 2abd n LYS 71 Ca -0.11 0.72 -0.06 0.00 -2.02 0.00 0.00 58.31 56.84 2abd n LYS 71 Cb 0.45 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 2abd n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2abd h ALA 72 N -1.48 -0.20 -0.95 7.82 0.00 -0.51 0.51 119.26 124.45 2abd h ALA 72 Ca 0.00 0.20 0.27 0.00 0.00 0.00 0.00 54.91 55.37 2abd h ALA 72 Cb 0.00 1.19 -0.17 0.00 0.00 0.00 0.00 17.79 18.81 2abd h ALA 72 CO 0.00 -0.80 0.11 -0.92 0.00 0.00 0.00 179.25 177.64 2abd h TYR 73 N -0.01 0.10 0.07 0.00 3.20 -0.84 0.55 116.97 120.03 2abd h TYR 73 Ca 0.25 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 2abd h TYR 73 Cb 0.51 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2abd h TYR 73 CO -0.94 -0.38 -0.03 0.82 -1.64 0.00 0.00 178.16 175.99 2abd h ILE 74 N 0.06 0.00 -0.89 1.81 2.04 0.38 -1.07 117.51 119.84 2abd h ILE 74 Ca 0.59 -0.49 0.30 0.00 1.00 0.00 0.00 64.86 66.26 2abd h ILE 74 Cb 1.24 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.25 2abd h ILE 74 CO -0.83 0.00 0.59 0.47 0.00 0.00 0.00 178.15 178.38 2abd n ASP 75 N -3.63 0.10 -0.12 1.72 8.00 0.10 0.61 116.55 123.34 2abd n ASP 75 Ca -0.01 0.78 -0.25 0.00 0.71 0.00 0.00 54.79 56.02 2abd n ASP 75 Cb 0.04 -0.38 -0.11 0.00 -0.02 0.00 0.00 41.12 40.64 2abd n ASP 75 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2abd n LYS 76 N -3.72 0.61 -0.33 -1.24 3.00 0.18 -4.51 118.16 112.14 2abd n LYS 76 Ca 0.25 0.31 0.20 0.00 -0.00 0.00 0.00 58.31 59.06 2abd n LYS 76 Cb 0.99 -1.57 0.39 0.00 0.00 0.00 0.00 35.03 34.83 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 -0.73 0.05 -1.52 3.15 2.07 0.16 0.19 116.25 119.61 2abd h VAL 77 Ca -0.59 -0.01 0.49 0.00 0.82 0.00 0.00 66.70 67.41 2abd h VAL 77 Cb 1.64 0.01 -0.12 0.00 -1.52 0.00 0.00 31.29 31.30 2abd h VAL 77 CO -0.28 0.01 1.02 1.21 0.02 0.00 0.00 177.57 179.55 2abd n GLU 78 N -5.39 -0.02 0.15 1.57 4.07 -0.98 0.15 120.64 120.19 2abd n GLU 78 Ca 0.28 1.15 -0.13 0.00 -0.06 0.00 0.00 57.16 58.39 2abd n GLU 78 Cb 0.92 -2.39 -0.08 0.00 -0.06 0.00 0.00 31.44 29.83 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 -0.38 -0.79 5.31 5.08 -0.93 -2.60 114.58 120.28 2abd h GLU 79 Ca 0.87 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 59.26 2abd h GLU 79 Cb 3.03 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 32.33 2abd h GLU 79 CO -0.30 -0.07 0.52 -0.07 -1.00 0.00 0.00 179.01 178.08 2abd h LEU 80 N -0.70 0.91 -2.44 1.33 3.38 0.12 0.35 115.31 118.27 2abd h LEU 80 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2abd h LEU 80 Cb 0.48 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2abd h LEU 80 CO 0.07 0.67 0.00 0.50 0.09 0.00 0.00 178.44 179.76 2abd h LYS 81 N 1.07 0.00 0.00 1.13 3.64 -0.58 0.49 116.57 122.32 2abd h LYS 81 Ca 0.29 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.51 2abd h LYS 81 Cb -0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2abd h LYS 81 CO -0.06 0.00 -1.51 1.17 -2.27 0.00 0.00 179.45 176.78 2abd n LYS 82 N -2.83 0.54 -0.17 1.90 4.81 -0.24 -2.64 118.16 119.54 2abd n LYS 82 Ca -0.02 0.22 -0.01 0.00 -0.87 0.00 0.00 58.31 57.63 2abd n LYS 82 Cb 0.07 -1.44 0.08 0.00 0.02 0.00 0.00 35.03 33.76 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2abd h LYS 83 N -0.98 0.17 0.00 1.64 3.64 -0.21 -3.36 116.57 117.47 2abd h LYS 83 Ca -0.24 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 2abd h LYS 83 Cb 1.20 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 2abd h LYS 83 CO -0.14 0.12 -1.35 0.66 -2.27 0.00 0.00 179.45 176.46 2abd n TYR 84 N -5.18 0.00 -4.64 1.91 4.01 0.13 -5.06 117.16 108.33 2abd n TYR 84 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2abd n TYR 84 Cb 0.29 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 38.88 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 2.20 -1.01 0.71 2.72 0.00 0.90 -4.51 105.19 106.20 2abd n GLY 85 Ca -0.21 -1.11 0.09 0.00 0.00 0.00 0.00 46.02 44.78 2abd n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83