#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 0.83 0.00 1.43 7.27 -1.26 -5.18 117.38 120.48 2abd n GLN 2 Ca 0.00 -1.90 0.00 0.00 0.07 0.00 0.00 57.00 55.17 2abd n GLN 2 Cb 0.00 0.95 0.00 0.00 2.41 0.00 0.00 30.24 33.60 2abd n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2abd n ALA 3 N -1.97 0.00 1.05 1.69 0.00 -1.26 -4.97 120.51 115.05 2abd n ALA 3 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.46 2abd n ALA 3 Cb 0.34 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.86 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 1.16 -0.10 0.00 0.28 -1.26 -4.60 120.64 116.12 2abd n GLU 4 Ca 0.00 -0.91 -0.01 0.00 -0.16 0.00 0.00 57.16 56.07 2abd n GLU 4 Cb 0.00 -1.48 -0.00 0.00 1.43 0.00 0.00 31.44 31.39 2abd n GLU 4 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2abd n PHE 5 N -0.12 -0.03 -0.07 -1.84 7.35 -1.26 0.29 117.46 121.77 2abd n PHE 5 Ca 0.10 0.30 0.01 0.00 -0.76 0.00 0.00 57.45 57.09 2abd n PHE 5 Cb 0.45 -0.56 0.30 0.00 0.35 0.00 0.00 39.48 40.01 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 0.62 0.21 -2.13 3.32 -1.98 0.32 116.42 116.77 2abd h ASP 6 Ca 0.07 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2abd h ASP 6 Cb 0.13 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2abd h ASP 6 CO -0.23 0.56 -0.10 0.50 -1.72 0.00 0.00 179.24 178.24 2abd h LYS 7 N 0.68 -0.27 -0.69 3.56 1.63 0.39 0.47 116.57 122.34 2abd h LYS 7 Ca 0.17 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.11 2abd h LYS 7 Cb 0.13 0.06 -0.13 0.00 -0.60 0.00 0.00 32.23 31.69 2abd h LYS 7 CO -0.02 0.08 -0.31 0.00 -3.45 0.00 0.00 179.45 175.75 2abd h ALA 8 N 0.01 0.11 0.56 5.00 0.00 0.96 0.27 119.26 126.17 2abd h ALA 8 Ca -0.03 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2abd h ALA 8 Cb 0.47 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2abd h ALA 8 CO 0.05 -0.61 -0.38 0.00 0.00 0.00 0.00 179.25 178.31 2abd h ALA 9 N 1.22 -0.93 -0.95 0.00 0.00 -0.21 0.45 119.26 118.84 2abd h ALA 9 Ca 0.28 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.19 2abd h ALA 9 Cb 0.56 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 2abd h ALA 9 CO -0.75 -1.05 0.54 1.49 0.00 0.00 0.00 179.25 179.49 2abd h GLU 10 N -0.91 0.68 0.17 0.00 4.81 0.13 -2.76 114.58 116.69 2abd h GLU 10 Ca -0.07 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2abd h GLU 10 Cb 0.75 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2abd h GLU 10 CO 0.04 0.45 -0.08 0.93 -0.73 0.00 0.00 179.01 179.62 2abd h GLU 11 N 0.70 -0.22 -0.92 1.92 5.08 -0.31 -3.31 114.58 117.51 2abd h GLU 11 Ca 0.55 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 59.18 2abd h GLU 11 Cb 0.84 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.98 2abd h GLU 11 CO -0.39 0.20 0.14 -0.24 -1.00 0.00 0.00 179.01 177.72 2abd h VAL 12 N -0.83 0.16 0.00 3.13 3.04 -0.62 0.36 116.25 121.49 2abd h VAL 12 Ca -0.02 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2abd h VAL 12 Cb 0.52 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.87 2abd h VAL 12 CO 0.04 0.02 0.01 0.11 -1.01 0.00 0.00 177.57 176.73 2abd h LYS 13 N 0.09 0.00 0.00 4.17 1.79 -1.62 -2.93 116.57 118.08 2abd h LYS 13 Ca 0.58 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.69 2abd h LYS 13 Cb 1.21 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.79 2abd h LYS 13 CO -0.78 0.00 -2.36 0.72 -1.08 0.00 0.00 179.45 175.95 2abd n HIS 14 N -3.01 0.00 0.00 -1.35 8.25 0.12 -5.06 115.22 114.17 2abd n HIS 14 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2abd n HIS 14 Cb 0.07 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.21 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 -2.81 0.00 -0.28 2.41 4.77 -0.68 -4.71 117.00 115.71 2abd n LEU 15 Ca -0.34 0.00 0.28 0.00 -0.03 0.00 0.00 56.01 55.92 2abd n LEU 15 Cb 1.11 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 42.71 2abd n LEU 15 CO 0.39 0.00 0.91 1.17 -1.33 0.00 0.00 177.39 178.53 2abd n LYS 16 N 0.00 -0.05 -3.87 3.23 4.81 0.14 -4.39 118.16 118.03 2abd n LYS 16 Ca 0.00 1.19 -0.24 0.00 -0.87 0.00 0.00 58.31 58.39 2abd n LYS 16 Cb 0.00 -2.14 -0.04 0.00 0.02 0.00 0.00 35.03 32.87 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 -5.31 2.23 -0.52 3.15 2.01 -1.13 -5.04 115.64 111.03 2abd s THR 17 Ca -0.08 -1.52 -0.16 0.00 0.31 0.00 0.00 61.69 60.25 2abd s THR 17 Cb 0.29 -2.75 0.11 0.00 0.01 0.00 0.00 72.50 70.17 2abd s THR 17 CO 0.67 0.00 0.46 -0.54 -0.69 0.00 0.00 174.62 174.52 2abd s LYS 18 N -4.09 2.96 0.26 4.92 1.02 -1.26 -4.91 119.74 118.64 2abd s LYS 18 Ca 0.41 -1.60 -0.31 0.00 0.02 0.00 0.00 55.97 54.49 2abd s LYS 18 Cb -0.00 -4.23 -0.13 0.00 -0.52 0.00 0.00 37.83 32.95 2abd s LYS 18 CO 0.24 -1.23 1.44 -2.30 -0.92 0.00 0.00 175.35 172.58 2abd n PRO 19 N 5.22 2.19 -1.44 -1.68 -0.02 -1.26 -4.94 135.00 133.07 2abd n PRO 19 Ca -0.13 0.78 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 2abd n PRO 19 Cb 0.41 -2.46 0.07 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.12 2.35 0.04 3.55 0.00 -1.26 -4.62 121.76 121.69 2abd s ALA 20 Ca 0.66 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.90 2abd s ALA 20 Cb -0.61 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 2abd s ALA 20 CO 0.50 -1.58 0.97 -0.25 0.00 0.00 0.00 175.76 175.41 2abd n ASP 21 N -3.15 -0.24 -0.33 0.00 9.92 -1.26 -0.45 116.55 121.04 2abd n ASP 21 Ca 0.09 1.03 0.30 0.00 -0.53 0.00 0.00 54.79 55.68 2abd n ASP 21 Cb 0.53 -0.37 0.56 0.00 -0.64 0.00 0.00 41.12 41.20 2abd n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2abd h GLU 22 N 0.00 0.09 0.35 -1.24 3.07 -1.97 0.91 114.58 115.79 2abd h GLU 22 Ca 0.04 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 2abd h GLU 22 Cb 0.09 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2abd h GLU 22 CO -0.21 0.06 -0.17 0.93 -1.40 0.00 0.00 179.01 178.22 2abd h GLU 23 N 0.09 -0.46 -0.99 2.33 4.39 -1.09 0.77 114.58 119.63 2abd h GLU 23 Ca 0.82 0.03 0.17 0.00 0.34 0.00 0.00 59.36 60.72 2abd h GLU 23 Cb 2.11 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 30.77 2abd h GLU 23 CO -0.71 -0.14 0.61 0.52 -1.16 0.00 0.00 179.01 178.13 2abd h MET 24 N -0.82 0.77 0.82 2.33 2.86 -0.06 -0.75 114.93 120.09 2abd h MET 24 Ca -0.05 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2abd h MET 24 Cb 0.53 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.02 2abd h MET 24 CO 0.08 0.51 -0.39 -0.07 1.06 0.00 0.00 176.91 178.10 2abd h LEU 25 N 0.79 -0.93 -0.46 1.22 3.38 0.10 0.32 115.31 119.74 2abd h LEU 25 Ca 0.53 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.57 2abd h LEU 25 Cb 0.78 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 2abd h LEU 25 CO -0.31 -0.61 -0.41 0.15 0.09 0.00 0.00 178.44 177.35 2abd h PHE 26 N -1.20 -1.29 0.00 1.13 3.04 0.23 0.49 116.94 119.34 2abd h PHE 26 Ca -0.11 0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2abd h PHE 26 Cb 0.85 0.62 0.00 0.00 2.56 0.00 0.00 35.95 39.99 2abd h PHE 26 CO -0.00 -0.32 0.00 -0.89 -2.02 0.00 0.00 178.31 175.07 2abd n ILE 27 N -4.64 0.00 -0.30 1.41 -0.00 -0.39 -1.36 119.36 114.08 2abd n ILE 27 Ca -0.01 1.37 -0.10 0.00 -0.00 0.00 0.00 62.75 64.01 2abd n ILE 27 Cb 0.23 -2.09 -0.07 0.00 -0.00 0.00 0.00 39.64 37.71 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 -1.62 -0.23 1.39 3.20 0.10 0.53 116.97 120.34 2abd h TYR 28 Ca 0.00 0.11 0.05 0.00 3.14 0.00 0.00 58.73 62.02 2abd h TYR 28 Cb 0.00 0.81 -0.07 0.00 1.54 0.00 0.00 36.73 39.01 2abd h TYR 28 CO -0.32 -0.42 -0.48 0.66 -1.64 0.00 0.00 178.16 175.97 2abd h SER 29 N -0.15 -1.53 -0.01 -2.11 4.64 0.05 0.29 113.55 114.73 2abd h SER 29 Ca 0.16 0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2abd h SER 29 Cb 0.51 0.62 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2abd h SER 29 CO -0.81 -0.43 0.01 0.45 -0.87 0.00 0.00 176.83 175.18 2abd h HIS 30 N -0.47 0.02 0.01 4.77 3.86 -0.65 -2.24 115.15 120.45 2abd h HIS 30 Ca 0.08 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2abd h HIS 30 Cb 0.63 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 2abd h HIS 30 CO -0.58 0.14 -0.18 -0.92 0.86 0.00 0.00 177.93 177.25 2abd h TYR 31 N -0.11 -0.54 -0.94 2.45 3.20 0.74 0.39 116.97 122.16 2abd h TYR 31 Ca 0.00 0.02 0.28 0.00 3.14 0.00 0.00 58.73 62.17 2abd h TYR 31 Cb 0.13 0.23 -0.15 0.00 1.54 0.00 0.00 36.73 38.48 2abd h TYR 31 CO -0.03 -0.20 0.37 0.87 -1.64 0.00 0.00 178.16 177.53 2abd h LYS 32 N -0.24 0.23 0.44 1.82 1.79 -0.48 0.26 116.57 120.38 2abd h LYS 32 Ca 0.00 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2abd h LYS 32 Cb 0.25 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2abd h LYS 32 CO -0.12 0.15 -0.21 1.96 -1.08 0.00 0.00 179.45 180.15 2abd h GLN 33 N 0.24 -0.56 -0.93 3.15 1.08 -0.59 0.21 115.11 117.71 2abd h GLN 33 Ca 0.64 0.04 0.24 0.00 -1.45 0.00 0.00 58.65 58.12 2abd h GLN 33 Cb 1.39 0.13 -0.13 0.00 -0.05 0.00 0.00 27.48 28.82 2abd h GLN 33 CO -0.66 -0.26 0.44 0.00 -0.95 0.00 0.00 178.83 177.41 2abd h ALA 34 N -0.68 1.56 0.00 3.87 0.00 0.12 -1.92 119.26 122.21 2abd h ALA 34 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2abd h ALA 34 Cb 0.56 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2abd h ALA 34 CO 0.10 -0.37 -0.15 0.25 0.00 0.00 0.00 179.25 179.08 2abd n THR 35 N -5.03 0.43 -0.02 0.00 -2.24 0.78 -4.79 114.28 103.41 2abd n THR 35 Ca 0.24 0.42 -0.06 0.00 -2.27 0.00 0.00 64.05 62.37 2abd n THR 35 Cb 0.72 -1.77 -0.05 0.00 -2.10 0.00 0.00 70.33 67.13 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 -0.30 0.63 0.00 2.28 2.07 -1.10 -3.51 116.25 116.31 2abd h VAL 36 Ca 0.00 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2abd h VAL 36 Cb 0.15 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2abd h VAL 36 CO 0.00 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.40 2abd n GLY 37 N 1.41 0.17 3.60 2.17 0.00 0.55 -4.98 105.19 108.11 2abd n GLY 37 Ca -0.05 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 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 5.65 -0.52 1.61 1.11 -1.26 -3.57 116.67 115.69 2abd s ASP 38 Ca 0.00 1.49 -0.19 0.00 0.18 0.00 0.00 52.55 54.03 2abd s ASP 38 Cb 0.00 -2.52 -0.12 0.00 1.07 0.00 0.00 42.92 41.35 2abd s ASP 38 CO 0.00 -1.87 1.48 0.00 1.18 0.00 0.00 175.17 175.96 2abd n ILE 39 N 7.56 0.00 -2.40 0.77 3.06 -1.26 -4.77 119.36 122.32 2abd n ILE 39 Ca 0.26 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.34 2abd n ILE 39 Cb 0.47 -0.28 0.02 0.00 0.54 0.00 0.00 39.64 40.39 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 5.67 3.63 0.00 9.51 0.23 -1.26 -5.01 115.26 128.02 2abd n ASN 40 Ca 0.36 -3.20 0.00 0.00 -0.53 0.00 0.00 54.58 51.21 2abd n ASN 40 Cb 0.01 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.28 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 -0.54 0.00 0.00 5.53 -2.24 -1.26 -5.06 114.28 110.71 2abd n THR 41 Ca 0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 2abd n THR 41 Cb 0.84 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.00 0.00 0.00 -0.78 0.00 -1.26 -4.84 120.64 113.76 2abd n GLU 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2abd n GLU 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2abd n GLU 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2abd n ARG 43 N -0.33 0.00 -0.79 3.44 0.63 -1.26 -4.88 116.66 113.47 2abd n ARG 43 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 2abd n ARG 43 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 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 0.00 0.00 0.05 -0.14 -0.02 -1.26 -5.08 135.00 128.55 2abd n PRO 44 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2abd n PRO 44 Cb 0.00 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 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 2.97 -0.11 0.00 -1.23 0.00 -1.26 -5.06 105.19 100.51 2abd n GLY 45 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.83 0.00 -1.44 1.61 2.81 -1.26 -4.83 117.12 111.17 2abd n MET 46 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 2abd n MET 46 Cb 0.01 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.45 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 7.20 -1.43 4.03 4.77 -1.26 -4.25 117.00 126.06 2abd n LEU 47 Ca 0.00 -4.13 -0.01 0.00 -0.03 0.00 0.00 56.01 51.84 2abd n LEU 47 Cb 0.00 -1.40 0.26 0.00 -2.33 0.00 0.00 43.42 39.95 2abd n LEU 47 CO 0.00 1.90 0.85 0.47 -1.33 0.00 0.00 177.39 179.29 2abd n ASP 48 N 2.26 3.95 -0.36 -1.43 8.00 -1.26 -4.63 116.55 123.07 2abd n ASP 48 Ca 0.59 -3.29 -0.05 0.00 0.71 0.00 0.00 54.79 52.75 2abd n ASP 48 Cb 0.48 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 2abd n ASP 48 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2abd h PHE 49 N 1.95 -1.32 -0.30 1.24 0.04 -1.98 0.12 116.94 116.70 2abd h PHE 49 Ca 0.17 0.11 0.09 0.00 2.80 0.00 0.00 57.97 61.14 2abd h PHE 49 Cb 1.89 0.71 -0.01 0.00 2.20 0.00 0.00 35.95 40.73 2abd h PHE 49 CO 0.96 -0.40 0.80 0.36 -0.60 0.00 0.00 178.31 179.44 2abd n LYS 50 N -5.41 0.02 0.00 1.51 2.85 -1.26 -0.57 118.16 115.30 2abd n LYS 50 Ca 0.07 0.72 0.00 0.00 -1.05 0.00 0.00 58.31 58.05 2abd n LYS 50 Cb 0.36 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2abd n GLY 51 N -1.33 0.00 0.27 2.58 0.00 0.28 -4.71 105.19 102.29 2abd n GLY 51 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.24 1.61 3.11 0.60 0.27 116.57 122.41 2abd h LYS 52 Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2abd h LYS 52 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 2abd h LYS 52 CO 0.00 0.04 -0.12 0.00 -2.81 0.00 0.00 179.45 176.56 2abd h ALA 53 N 1.96 -0.70 -0.98 5.00 0.00 -1.64 0.28 119.26 123.18 2abd h ALA 53 Ca -0.00 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2abd h ALA 53 Cb 0.08 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 2abd h ALA 53 CO 0.01 -0.68 -0.56 1.63 0.00 0.00 0.00 179.25 179.64 2abd n LYS 54 N -3.30 -0.41 -0.03 0.00 4.76 -0.89 0.15 118.16 118.44 2abd n LYS 54 Ca -0.04 1.48 -0.03 0.00 -2.87 0.00 0.00 58.31 56.85 2abd n LYS 54 Cb 0.13 -2.18 -0.02 0.00 -1.84 0.00 0.00 35.03 31.12 2abd n LYS 54 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 2abd h TRP 55 N 0.00 -0.39 -0.80 2.13 7.01 -0.49 0.17 115.95 123.58 2abd h TRP 55 Ca 0.17 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.29 2abd h TRP 55 Cb 0.42 0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 27.59 2abd h TRP 55 CO -1.00 -0.11 0.44 -0.44 -2.79 0.00 0.00 178.44 174.55 2abd h ASP 56 N -0.09 0.62 -0.16 2.65 3.32 0.34 0.37 116.42 123.47 2abd h ASP 56 Ca 0.02 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.16 2abd h ASP 56 Cb 0.13 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 2abd h ASP 56 CO -0.14 0.35 -0.13 0.00 -1.72 0.00 0.00 179.24 177.61 2abd h ALA 57 N 1.45 -0.01 0.32 3.45 0.00 0.89 0.12 119.26 125.48 2abd h ALA 57 Ca 0.39 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2abd h ALA 57 Cb 0.37 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2abd h ALA 57 CO -0.25 -0.57 -0.17 2.35 0.00 0.00 0.00 179.25 180.60 2abd h TRP 58 N -0.14 -0.45 -0.96 0.00 7.01 0.17 -2.53 115.95 119.05 2abd h TRP 58 Ca 0.10 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.25 2abd h TRP 58 Cb 0.29 0.16 -0.16 0.00 -2.10 0.00 0.00 29.16 27.34 2abd h TRP 58 CO -0.26 -0.28 -0.36 -0.97 -2.79 0.00 0.00 178.44 173.77 2abd h ASN 59 N -0.47 -1.34 -1.98 2.65 -1.24 0.52 0.18 115.58 113.90 2abd h ASN 59 Ca -0.04 0.30 0.58 0.00 0.71 0.00 0.00 56.30 57.85 2abd h ASN 59 Cb 0.37 0.72 -0.08 0.00 0.73 0.00 0.00 38.32 40.06 2abd h ASN 59 CO 0.05 -0.29 1.43 1.21 -1.29 0.00 0.00 177.43 178.54 2abd n GLU 60 N -5.49 -0.00 0.11 6.67 4.07 0.33 -0.20 120.64 126.13 2abd n GLU 60 Ca 0.10 1.09 -0.23 0.00 -0.06 0.00 0.00 57.16 58.07 2abd n GLU 60 Cb 0.41 -2.51 -0.15 0.00 -0.06 0.00 0.00 31.44 29.12 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 0.70 0.00 4.31 3.38 -0.70 -3.47 115.31 119.53 2abd h LEU 61 Ca 0.95 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2abd h LEU 61 Cb 3.79 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 44.31 2abd h LEU 61 CO -0.02 1.69 0.00 1.17 0.09 0.00 0.00 178.44 181.37 2abd n LYS 62 N -3.63 0.00 0.00 1.13 0.00 0.72 0.04 118.16 116.42 2abd n LYS 62 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.12 2abd n LYS 62 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.12 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 1.85 3.80 3.14 0.00 -1.26 -4.97 105.19 107.76 2abd n GLY 63 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.85 4.35 -0.93 2.61 -1.32 0.11 -4.84 115.64 113.77 2abd s THR 64 Ca 0.00 1.57 -0.19 0.00 -1.21 0.00 0.00 61.69 61.86 2abd s THR 64 Cb 0.00 -3.81 -0.26 0.00 -1.51 0.00 0.00 72.50 66.93 2abd s THR 64 CO 0.00 -0.05 2.36 -1.20 -2.21 0.00 0.00 174.62 173.52 2abd n SER 65 N 0.05 -0.20 -0.12 8.08 7.64 -1.26 -4.70 113.62 123.12 2abd n SER 65 Ca 0.04 -0.49 0.11 0.00 1.01 0.00 0.00 58.87 59.53 2abd n SER 65 Cb 0.52 -0.89 0.19 0.00 -1.01 0.00 0.00 64.21 63.02 2abd n SER 65 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2abd n LYS 66 N 7.10 -0.01 -0.04 1.43 4.81 -1.26 0.19 118.16 130.37 2abd n LYS 66 Ca 0.62 0.38 -0.14 0.00 -0.87 0.00 0.00 58.31 58.31 2abd n LYS 66 Cb 0.19 -0.73 -0.09 0.00 0.02 0.00 0.00 35.03 34.42 2abd n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2abd h GLU 67 N 0.00 0.23 -0.55 1.64 3.07 -1.88 -3.01 114.58 114.07 2abd h GLU 67 Ca 0.26 -0.15 0.10 0.00 -0.50 0.00 0.00 59.36 59.07 2abd h GLU 67 Cb 0.77 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.62 2abd h GLU 67 CO -0.17 0.72 0.12 -0.44 -1.40 0.00 0.00 179.01 177.84 2abd h ASP 68 N -0.23 0.01 -0.60 1.42 3.32 0.17 0.92 116.42 121.43 2abd h ASP 68 Ca 0.01 0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.27 2abd h ASP 68 Cb 0.71 0.14 -0.12 0.00 0.22 0.00 0.00 39.33 40.28 2abd h ASP 68 CO 0.03 0.02 -0.25 0.00 -1.72 0.00 0.00 179.24 177.32 2abd h ALA 69 N 1.44 0.17 0.57 3.45 0.00 -1.34 0.34 119.26 123.88 2abd h ALA 69 Ca 0.28 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2abd h ALA 69 Cb 0.40 0.64 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2abd h ALA 69 CO -0.37 -0.56 -0.27 0.52 0.00 0.00 0.00 179.25 178.57 2abd h MET 70 N -0.10 -0.74 -0.27 0.00 2.86 -0.88 0.20 114.93 116.00 2abd h MET 70 Ca 0.26 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.98 2abd h MET 70 Cb 0.52 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 2abd h MET 70 CO -0.66 -0.43 -0.24 0.87 1.06 0.00 0.00 176.91 177.51 2abd h LYS 71 N -1.01 -0.10 -0.26 1.72 1.57 -0.42 0.45 116.57 118.52 2abd h LYS 71 Ca -0.08 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2abd h LYS 71 Cb 0.65 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 2abd h LYS 71 CO 0.13 -0.07 -0.44 0.00 -0.57 0.00 0.00 179.45 178.50 2abd h ALA 72 N -0.60 -0.72 -0.71 3.86 0.00 -0.40 0.18 119.26 120.86 2abd h ALA 72 Ca 0.05 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.08 2abd h ALA 72 Cb 0.22 1.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 2abd h ALA 72 CO -0.31 -0.92 -0.20 0.98 0.00 0.00 0.00 179.25 178.80 2abd n TYR 73 N -4.83 0.21 0.06 0.00 9.36 0.69 0.51 117.16 123.16 2abd n TYR 73 Ca -0.03 0.87 -0.04 0.00 3.32 0.00 0.00 57.90 62.01 2abd n TYR 73 Cb 0.28 -0.88 -0.02 0.00 -0.63 0.00 0.00 39.34 38.08 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 0.06 -1.62 2.97 2.04 -0.02 0.69 117.51 121.63 2abd h ILE 74 Ca 0.32 -0.84 0.50 0.00 1.00 0.00 0.00 64.86 65.84 2abd h ILE 74 Cb 0.50 0.11 -0.11 0.00 -0.74 0.00 0.00 36.82 36.58 2abd h ILE 74 CO -0.73 0.02 1.11 0.44 0.00 0.00 0.00 178.15 178.99 2abd h ASP 75 N -1.06 0.11 0.19 1.72 3.32 0.70 1.14 116.42 122.55 2abd h ASP 75 Ca -0.03 0.07 -0.32 0.00 0.02 0.00 0.00 57.03 56.78 2abd h ASP 75 Cb 0.23 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 2abd h ASP 75 CO 0.04 -0.11 -2.11 1.17 -1.72 0.00 0.00 179.24 176.51 2abd n LYS 76 N -4.34 0.67 -0.36 3.56 3.00 0.18 -3.89 118.16 116.98 2abd n LYS 76 Ca 0.41 0.09 0.01 0.00 -0.00 0.00 0.00 58.31 58.82 2abd n LYS 76 Cb 1.72 -1.62 0.15 0.00 0.00 0.00 0.00 35.03 35.28 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 0.00 1.12 -0.72 3.15 2.07 0.37 -0.09 116.25 122.14 2abd h VAL 77 Ca -0.42 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 66.78 2abd h VAL 77 Cb 2.08 -0.15 -0.11 0.00 -1.52 0.00 0.00 31.29 31.59 2abd h VAL 77 CO 0.04 0.21 -0.54 -0.08 0.02 0.00 0.00 177.57 177.23 2abd h GLU 78 N 1.17 -0.17 -0.78 1.57 4.81 -1.08 0.61 114.58 120.71 2abd h GLU 78 Ca 0.40 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.74 2abd h GLU 78 Cb 0.09 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.39 2abd h GLU 78 CO -0.15 -0.12 -0.48 0.93 -0.73 0.00 0.00 179.01 178.46 2abd h GLU 79 N -0.18 -0.13 -0.11 1.92 5.08 -1.19 0.12 114.58 120.10 2abd h GLU 79 Ca 0.14 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2abd h GLU 79 Cb 0.51 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2abd h GLU 79 CO -0.78 -0.08 -0.26 -0.07 -1.00 0.00 0.00 179.01 176.82 2abd h LEU 80 N -0.13 -0.80 -1.74 1.33 3.38 0.42 0.47 115.31 118.24 2abd h LEU 80 Ca 0.20 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2abd h LEU 80 Cb 0.53 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2abd h LEU 80 CO -0.82 -0.31 0.32 0.50 0.09 0.00 0.00 178.44 178.22 2abd h LYS 81 N -0.34 0.00 0.00 1.13 3.64 0.23 0.65 116.57 121.89 2abd h LYS 81 Ca 0.10 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.32 2abd h LYS 81 Cb 0.48 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2abd h LYS 81 CO -0.31 0.00 -1.40 1.17 -2.27 0.00 0.00 179.45 176.65 2abd n LYS 82 N -2.69 0.54 0.11 1.90 4.81 0.35 -2.62 118.16 120.55 2abd n LYS 82 Ca -0.02 0.31 -0.12 0.00 -0.87 0.00 0.00 58.31 57.61 2abd n LYS 82 Cb 0.36 -1.52 -0.06 0.00 0.02 0.00 0.00 35.03 33.83 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 -1.00 -0.33 0.02 1.64 3.64 0.33 -3.31 116.57 117.56 2abd h LYS 83 Ca -0.24 0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 58.88 2abd h LYS 83 Cb 1.13 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 2abd h LYS 83 CO -0.14 -0.22 -1.56 0.66 -2.27 0.00 0.00 179.45 175.92 2abd n TYR 84 N -5.30 0.92 0.00 1.91 4.01 0.22 -4.98 117.16 113.95 2abd n TYR 84 Ca -0.07 0.35 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 2abd n TYR 84 Cb 0.21 -1.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.14 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 1.52 0.52 0.39 2.72 0.00 -0.39 -2.85 105.19 107.10 2abd n GLY 85 Ca -0.35 -1.42 0.14 0.00 0.00 0.00 0.00 46.02 44.39 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71