#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 7.27 -1.26 -5.13 117.38 116.80 2abd n GLN 2 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2abd n GLN 2 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 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 -1.22 0.00 1.03 1.69 0.00 -1.26 -4.95 120.51 115.79 2abd n ALA 3 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2abd n ALA 3 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 2abd n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2abd n GLU 4 N 0.00 0.45 -0.27 0.00 -0.58 -1.26 -4.57 120.64 114.41 2abd n GLU 4 Ca 0.00 -0.35 -0.02 0.00 -0.42 0.00 0.00 57.16 56.36 2abd n GLU 4 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 2abd n GLU 4 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2abd n PHE 5 N -0.96 -0.06 0.21 -0.32 7.35 -1.26 0.18 117.46 122.60 2abd n PHE 5 Ca 0.07 0.85 0.08 0.00 -0.76 0.00 0.00 57.45 57.69 2abd n PHE 5 Cb 0.37 -0.71 0.47 0.00 0.35 0.00 0.00 39.48 39.96 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 0.00 -0.18 -2.13 3.32 -1.96 0.17 116.42 115.63 2abd h ASP 6 Ca 0.21 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2abd h ASP 6 Cb 0.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2abd h ASP 6 CO -0.68 0.28 -0.05 0.50 -1.72 0.00 0.00 179.24 177.57 2abd h LYS 7 N 0.00 0.36 0.62 3.56 3.64 0.16 0.31 116.57 125.22 2abd h LYS 7 Ca -0.00 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2abd h LYS 7 Cb 0.68 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2abd h LYS 7 CO 0.04 0.63 -0.49 0.00 -2.27 0.00 0.00 179.45 177.36 2abd h ALA 8 N 0.72 -1.20 -0.86 5.00 0.00 0.91 0.36 119.26 124.19 2abd h ALA 8 Ca 0.05 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 54.95 2abd h ALA 8 Cb 0.51 0.67 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 2abd h ALA 8 CO 0.02 -1.20 0.02 0.00 0.00 0.00 0.00 179.25 178.10 2abd h ALA 9 N -1.06 0.95 0.64 0.00 0.00 -0.53 0.43 119.26 119.70 2abd h ALA 9 Ca -0.08 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2abd h ALA 9 Cb 0.89 0.48 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2abd h ALA 9 CO 0.01 -0.47 -0.31 1.49 0.00 0.00 0.00 179.25 179.97 2abd h GLU 10 N 0.08 -0.83 0.46 0.00 4.22 0.44 -0.32 114.58 118.62 2abd h GLU 10 Ca 0.49 0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.98 2abd h GLU 10 Cb 0.93 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2abd h GLU 10 CO -0.77 -0.52 -0.48 0.93 -2.18 0.00 0.00 179.01 175.99 2abd h GLU 11 N -0.99 -0.92 -0.17 1.92 5.08 0.93 -2.94 114.58 117.50 2abd h GLU 11 Ca -0.09 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2abd h GLU 11 Cb 0.70 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 2abd h GLU 11 CO 0.15 -0.61 -0.30 -0.24 -1.00 0.00 0.00 179.01 177.00 2abd h VAL 12 N -0.95 0.31 0.00 3.13 3.04 -0.26 -0.14 116.25 121.37 2abd h VAL 12 Ca -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2abd h VAL 12 Cb 0.84 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2abd h VAL 12 CO -0.08 0.00 0.43 0.11 -1.01 0.00 0.00 177.57 177.02 2abd h LYS 13 N -0.35 0.00 0.00 4.17 1.57 -0.86 -2.84 116.57 118.25 2abd h LYS 13 Ca 0.11 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.64 2abd h LYS 13 Cb 0.52 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 2abd h LYS 13 CO -0.37 0.00 -1.94 -2.39 -0.57 0.00 0.00 179.45 174.19 2abd n HIS 14 N -2.31 0.00 0.00 -1.35 1.44 -0.20 -5.02 115.22 107.78 2abd n HIS 14 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2abd n HIS 14 Cb 0.46 -0.63 0.00 0.00 0.12 0.00 0.00 29.99 29.93 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 -2.94 0.00 0.00 2.39 4.77 -0.41 -4.56 117.00 116.25 2abd n LEU 15 Ca -0.29 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 2abd n LEU 15 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 2abd n LEU 15 CO 0.17 0.00 0.00 2.29 -1.33 0.00 0.00 177.39 178.52 2abd n LYS 16 N 0.00 0.00 -2.64 3.23 2.85 0.86 -4.41 118.16 118.05 2abd n LYS 16 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 2abd n LYS 16 Cb 0.00 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.46 2abd n LYS 16 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2abd s THR 17 N -2.68 2.31 -0.97 0.58 2.01 -1.21 -5.06 115.64 110.62 2abd s THR 17 Ca 0.00 -0.65 -0.09 0.00 0.31 0.00 0.00 61.69 61.25 2abd s THR 17 Cb 0.00 -2.66 0.25 0.00 0.01 0.00 0.00 72.50 70.10 2abd s THR 17 CO 0.00 0.00 0.92 -0.75 -0.69 0.00 0.00 174.62 174.10 2abd s LYS 18 N -4.98 3.80 0.18 4.92 2.20 -1.26 -4.99 119.74 119.61 2abd s LYS 18 Ca 0.63 -2.94 -0.29 0.00 -0.36 0.00 0.00 55.97 53.00 2abd s LYS 18 Cb -0.07 -4.39 -0.17 0.00 -1.51 0.00 0.00 37.83 31.68 2abd s LYS 18 CO 0.42 -1.26 0.60 -2.30 -0.36 0.00 0.00 175.35 172.45 2abd n PRO 19 N 3.11 0.03 -1.34 4.03 -0.02 -1.26 -4.90 135.00 134.65 2abd n PRO 19 Ca 0.19 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.37 2abd n PRO 19 Cb 0.41 -1.08 0.09 0.00 -0.02 0.00 0.00 33.50 32.90 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 -0.88 2.21 0.07 3.55 0.00 -1.26 -4.57 121.76 120.87 2abd s ALA 20 Ca 0.67 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 2abd s ALA 20 Cb -0.96 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 18.81 2abd s ALA 20 CO 0.56 -1.76 0.92 -0.25 0.00 0.00 0.00 175.76 175.23 2abd n ASP 21 N -3.24 -0.45 -0.27 0.00 9.92 -1.26 -0.31 116.55 120.94 2abd n ASP 21 Ca 0.10 1.02 0.05 0.00 -0.53 0.00 0.00 54.79 55.43 2abd n ASP 21 Cb 0.52 -0.23 0.18 0.00 -0.64 0.00 0.00 41.12 40.96 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 0.55 -0.22 -1.24 4.39 -1.97 0.52 114.58 116.61 2abd h GLU 22 Ca 0.07 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.79 2abd h GLU 22 Cb 0.17 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.63 2abd h GLU 22 CO -0.40 0.37 -0.23 0.93 -1.16 0.00 0.00 179.01 178.52 2abd h GLU 23 N 0.57 -0.24 0.21 2.33 4.39 -0.98 0.11 114.58 120.97 2abd h GLU 23 Ca 0.41 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 2abd h GLU 23 Cb 0.55 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2abd h GLU 23 CO -0.34 -0.16 -0.10 0.52 -1.16 0.00 0.00 179.01 177.77 2abd h MET 24 N -0.24 -0.27 -0.72 2.33 2.86 -0.54 -3.14 114.93 115.21 2abd h MET 24 Ca 0.13 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.91 2abd h MET 24 Cb 0.44 0.06 -0.13 0.00 0.06 0.00 0.00 31.60 32.03 2abd h MET 24 CO -0.36 0.00 -0.32 -0.07 1.06 0.00 0.00 176.91 177.22 2abd h LEU 25 N -0.53 -1.13 0.01 1.22 -0.00 0.62 0.35 115.31 115.85 2abd h LEU 25 Ca -0.03 0.25 0.00 0.00 -0.00 0.00 0.00 57.88 58.10 2abd h LEU 25 Cb 0.40 0.60 -0.00 0.00 -0.00 0.00 0.00 40.66 41.65 2abd h LEU 25 CO 0.05 -0.29 -0.03 0.15 -0.00 0.00 0.00 178.44 178.32 2abd h PHE 26 N -0.09 -0.09 -0.33 1.13 3.04 -0.87 0.31 116.94 120.05 2abd h PHE 26 Ca 0.29 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.27 2abd h PHE 26 Cb 0.57 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 39.07 2abd h PHE 26 CO -0.68 -0.04 -0.25 0.82 -2.02 0.00 0.00 178.31 176.14 2abd h ILE 27 N -0.05 0.00 -0.48 1.41 5.03 -1.41 -2.35 117.51 119.66 2abd h ILE 27 Ca -0.00 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.79 2abd h ILE 27 Cb 0.05 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 33.77 2abd h ILE 27 CO -0.01 0.00 -0.36 0.22 -0.68 0.00 0.00 178.15 177.31 2abd h TYR 28 N -0.07 -1.15 -0.44 1.37 3.20 -0.16 0.43 116.97 120.14 2abd h TYR 28 Ca 0.05 0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.06 2abd h TYR 28 Cb 0.21 0.57 -0.09 0.00 1.54 0.00 0.00 36.73 38.95 2abd h TYR 28 CO -0.84 -0.26 -0.46 0.66 -1.64 0.00 0.00 178.16 175.61 2abd h SER 29 N -0.10 -1.56 0.10 -2.11 4.64 -0.18 0.15 113.55 114.49 2abd h SER 29 Ca 0.08 0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2abd h SER 29 Cb 0.30 0.67 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2abd h SER 29 CO -0.51 -0.37 -0.05 0.45 -0.87 0.00 0.00 176.83 175.48 2abd h HIS 30 N -0.33 -0.12 -0.00 4.77 3.86 -1.06 -1.05 115.15 121.23 2abd h HIS 30 Ca 0.13 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2abd h HIS 30 Cb 0.58 0.04 -0.06 0.00 1.06 0.00 0.00 27.41 29.04 2abd h HIS 30 CO -0.67 0.11 -0.51 -0.92 0.86 0.00 0.00 177.93 176.79 2abd h TYR 31 N -0.33 -1.50 -0.69 2.45 3.20 0.39 0.59 116.97 121.07 2abd h TYR 31 Ca -0.01 0.05 0.15 0.00 3.14 0.00 0.00 58.73 62.06 2abd h TYR 31 Cb 0.28 0.65 -0.12 0.00 1.54 0.00 0.00 36.73 39.08 2abd h TYR 31 CO -0.01 -0.56 0.02 0.87 -1.64 0.00 0.00 178.16 176.84 2abd h LYS 32 N -0.66 0.12 0.68 1.82 1.79 -0.71 0.33 116.57 119.94 2abd h LYS 32 Ca 0.02 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2abd h LYS 32 Cb 0.71 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2abd h LYS 32 CO -0.35 0.08 -0.36 1.96 -1.08 0.00 0.00 179.45 179.69 2abd h GLN 33 N 0.12 -0.92 -0.85 3.15 1.08 0.72 0.23 115.11 118.63 2abd h GLN 33 Ca 0.37 0.06 0.20 0.00 -1.45 0.00 0.00 58.65 57.83 2abd h GLN 33 Cb 0.63 0.21 -0.16 0.00 -0.05 0.00 0.00 27.48 28.11 2abd h GLN 33 CO -0.59 -0.62 -0.13 0.00 -0.95 0.00 0.00 178.83 176.55 2abd n ALA 34 N -2.53 0.29 -0.02 3.87 0.00 0.18 -0.22 120.51 122.08 2abd n ALA 34 Ca -0.12 0.93 -0.01 0.00 0.00 0.00 0.00 53.44 54.24 2abd n ALA 34 Cb 0.39 -0.60 -0.00 0.00 0.00 0.00 0.00 19.45 19.23 2abd n ALA 34 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2abd h THR 35 N 0.00 0.00 0.07 0.00 1.35 -0.97 -3.44 112.91 109.92 2abd h THR 35 Ca 0.45 -0.32 -0.00 0.00 -0.55 0.00 0.00 66.41 65.99 2abd h THR 35 Cb 0.79 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 2abd h THR 35 CO -0.85 0.00 -0.03 0.58 -0.25 0.00 0.00 175.52 174.97 2abd h VAL 36 N -0.32 0.27 0.00 6.82 2.07 -0.87 -3.51 116.25 120.71 2abd h VAL 36 Ca 0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2abd h VAL 36 Cb 0.12 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2abd h VAL 36 CO 0.00 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.29 2abd n GLY 37 N 1.49 0.10 3.65 2.17 0.00 0.70 -4.97 105.19 108.32 2abd n GLY 37 Ca -0.03 -1.54 -0.48 0.00 0.00 0.00 0.00 46.02 43.97 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 2.66 -3.00 1.61 9.92 -1.26 -3.45 116.55 123.02 2abd n ASP 38 Ca 0.00 1.09 -0.15 0.00 -0.53 0.00 0.00 54.79 55.19 2abd n ASP 38 Cb 0.00 -1.34 -0.15 0.00 -0.64 0.00 0.00 41.12 38.99 2abd n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2abd n ILE 39 N 3.28 0.00 -1.22 0.53 3.06 -1.26 -4.69 119.36 119.06 2abd n ILE 39 Ca 0.18 -0.32 -0.30 0.00 -2.50 0.00 0.00 62.75 59.81 2abd n ILE 39 Cb 0.25 -0.01 0.10 0.00 0.54 0.00 0.00 39.64 40.51 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 3.81 6.67 -4.24 9.51 3.02 -1.26 -4.78 115.26 127.99 2abd n ASN 40 Ca 0.45 -3.64 -0.15 0.00 -0.03 0.00 0.00 54.58 51.21 2abd n ASN 40 Cb 0.09 -0.95 -0.10 0.00 -0.61 0.00 0.00 39.78 38.21 2abd n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2abd s THR 41 N -4.15 1.20 0.21 3.41 -4.23 -1.26 -5.15 115.64 105.67 2abd s THR 41 Ca 0.59 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.18 2abd s THR 41 Cb 0.47 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 2abd s THR 41 CO 0.02 -0.67 0.24 -1.83 -0.54 0.00 0.00 174.62 171.84 2abd s GLU 42 N -3.46 3.13 -0.32 3.99 -1.05 -1.26 -5.07 118.70 114.67 2abd s GLU 42 Ca 0.14 -0.87 -0.21 0.00 -0.15 0.00 0.00 54.97 53.88 2abd s GLU 42 Cb 0.01 -2.73 -0.00 0.00 -0.44 0.00 0.00 34.13 30.96 2abd s GLU 42 CO 0.01 0.44 0.67 0.50 0.95 0.00 0.00 175.26 177.84 2abd s ARG 43 N -3.63 3.85 0.72 -4.83 3.52 -1.26 -4.92 118.95 112.39 2abd s ARG 43 Ca 0.33 0.30 -0.17 0.00 -0.13 0.00 0.00 55.73 56.06 2abd s ARG 43 Cb -0.09 -3.75 -0.11 0.00 -1.56 0.00 0.00 34.95 29.44 2abd s ARG 43 CO 0.26 -0.65 -0.06 -2.30 -0.81 0.00 0.00 175.30 171.74 2abd n PRO 44 N 6.02 0.10 -0.30 5.12 -0.02 -1.26 -4.99 135.00 139.67 2abd n PRO 44 Ca 0.00 0.05 -0.05 0.00 -2.02 0.00 0.00 63.50 61.48 2abd n PRO 44 Cb 0.49 -1.31 0.04 0.00 -0.02 0.00 0.00 33.50 32.69 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 2.44 -1.46 0.00 -1.23 0.00 -1.26 -4.84 105.19 98.84 2abd n GLY 45 Ca 0.06 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.61 0.00 -0.99 1.61 2.81 -1.26 -2.50 117.12 115.18 2abd n MET 46 Ca 0.03 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.79 2abd n MET 46 Cb 0.10 0.00 0.21 0.00 -0.71 0.00 0.00 33.22 32.83 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 -3.07 5.94 -1.87 4.03 4.77 -1.26 -5.00 117.00 120.53 2abd n LEU 47 Ca 0.00 -3.12 0.00 0.00 -0.03 0.00 0.00 56.01 52.86 2abd n LEU 47 Cb 0.00 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 2abd n LEU 47 CO 0.00 0.86 0.00 0.47 -1.33 0.00 0.00 177.39 177.39 2abd n ASP 48 N -0.50 0.00 -2.48 -1.43 8.00 -1.04 -4.93 116.55 114.17 2abd n ASP 48 Ca 0.44 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.94 2abd n ASP 48 Cb 1.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.50 2abd n ASP 48 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2abd n PHE 49 N -0.36 -3.02 -0.93 1.24 3.72 -1.26 -4.76 117.46 112.09 2abd n PHE 49 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 2abd n PHE 49 Cb 0.00 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.38 2abd n PHE 49 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2abd n LYS 50 N -1.41 1.86 0.00 -1.08 5.02 -1.26 -2.24 118.16 119.05 2abd n LYS 50 Ca 0.00 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.38 2abd n LYS 50 Cb 0.00 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 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 2.49 0.00 0.33 0.72 0.00 -1.26 -4.76 105.19 102.71 2abd n GLY 51 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.35 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 1.15 -0.03 1.61 3.11 -1.75 0.16 116.57 120.82 2abd h LYS 52 Ca 0.00 -0.26 0.01 0.00 -2.81 0.00 0.00 60.65 57.59 2abd h LYS 52 Cb 0.26 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 2abd h LYS 52 CO 0.00 0.99 -0.20 0.00 -2.81 0.00 0.00 179.45 177.43 2abd h ALA 53 N 1.12 -0.62 -0.02 5.00 0.00 -1.86 0.84 119.26 123.73 2abd h ALA 53 Ca 0.23 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2abd h ALA 53 Cb 0.34 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2abd h ALA 53 CO -0.00 -0.69 -0.53 0.87 0.00 0.00 0.00 179.25 178.89 2abd h LYS 54 N -0.22 -0.64 -0.32 0.00 1.79 -1.83 0.39 116.57 115.75 2abd h LYS 54 Ca 0.01 0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.57 2abd h LYS 54 Cb 0.25 0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 30.97 2abd h LYS 54 CO -0.15 -0.43 -0.55 2.35 -1.08 0.00 0.00 179.45 179.60 2abd h TRP 55 N -0.66 -1.65 0.45 -1.35 7.01 -0.39 0.57 115.95 119.93 2abd h TRP 55 Ca 0.02 0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 2abd h TRP 55 Cb 0.72 0.76 -0.01 0.00 -2.10 0.00 0.00 29.16 28.54 2abd h TRP 55 CO -0.52 -0.51 -0.30 -0.44 -2.79 0.00 0.00 178.44 173.88 2abd h ASP 56 N -0.45 -0.75 -1.01 2.65 3.32 0.10 0.47 116.42 120.75 2abd h ASP 56 Ca 0.06 0.05 0.24 0.00 0.02 0.00 0.00 57.03 57.40 2abd h ASP 56 Cb 0.62 0.23 -0.12 0.00 0.22 0.00 0.00 39.33 40.28 2abd h ASP 56 CO -0.55 -0.46 0.60 0.00 -1.72 0.00 0.00 179.24 177.11 2abd h ALA 57 N -0.24 1.79 0.12 3.45 0.00 0.16 0.11 119.26 124.66 2abd h ALA 57 Ca -0.05 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2abd h ALA 57 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2abd h ALA 57 CO 0.04 -0.25 -0.06 2.35 0.00 0.00 0.00 179.25 181.33 2abd h TRP 58 N 0.60 -0.16 -0.95 0.00 7.01 -0.44 -3.24 115.95 118.77 2abd h TRP 58 Ca 0.64 -0.00 0.23 0.00 2.11 0.00 0.00 58.89 61.86 2abd h TRP 58 Cb 1.19 0.05 -0.18 0.00 -2.10 0.00 0.00 29.16 28.13 2abd h TRP 58 CO -0.01 0.33 -0.06 -0.97 -2.79 0.00 0.00 178.44 174.94 2abd h ASN 59 N -0.83 -0.60 -1.66 2.65 -1.24 0.19 0.25 115.58 114.33 2abd h ASN 59 Ca -0.02 0.27 0.52 0.00 0.71 0.00 0.00 56.30 57.78 2abd h ASN 59 Cb 0.55 0.51 -0.11 0.00 0.73 0.00 0.00 38.32 40.00 2abd h ASN 59 CO 0.03 -0.32 1.15 -0.08 -1.29 0.00 0.00 177.43 176.91 2abd h GLU 60 N 0.02 0.01 -0.21 6.67 4.81 -0.90 0.43 114.58 125.42 2abd h GLU 60 Ca 0.53 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 2abd h GLU 60 Cb 1.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2abd h GLU 60 CO -0.92 0.01 0.00 1.28 -0.73 0.00 0.00 179.01 178.65 2abd n LEU 61 N -4.32 2.11 -4.46 1.64 4.77 0.88 -4.88 117.00 112.75 2abd n LEU 61 Ca 0.42 -0.88 -0.14 0.00 -0.03 0.00 0.00 56.01 55.38 2abd n LEU 61 Cb 1.76 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 42.62 2abd n LEU 61 CO 0.32 0.44 1.07 1.17 -1.33 0.00 0.00 177.39 179.06 2abd n LYS 62 N 0.62 0.07 0.00 3.23 0.00 0.15 0.98 118.16 123.21 2abd n LYS 62 Ca 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 58.31 57.01 2abd n LYS 62 Cb 0.40 -3.53 0.00 0.00 0.00 0.00 0.00 35.03 31.91 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 5.88 1.55 3.95 3.14 0.00 -1.26 -4.98 105.19 113.46 2abd n GLY 63 Ca 0.36 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.55 2.13 0.24 2.61 2.01 0.28 -5.04 115.64 116.31 2abd s THR 64 Ca 0.00 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 61.64 2abd s THR 64 Cb 0.00 -2.88 -0.08 0.00 0.01 0.00 0.00 72.50 69.55 2abd s THR 64 CO 0.00 0.00 0.59 -0.55 -0.69 0.00 0.00 174.62 173.97 2abd s SER 65 N -4.71 6.68 0.55 3.53 0.15 -1.26 -4.91 113.70 113.73 2abd s SER 65 Ca 0.67 1.01 0.27 0.00 0.70 0.00 0.00 55.95 58.60 2abd s SER 65 Cb -0.07 -2.26 1.45 0.00 -1.71 0.00 0.00 66.02 63.43 2abd s SER 65 CO 0.48 -0.08 1.97 0.11 1.20 0.00 0.00 173.24 176.91 2abd h LYS 66 N 2.59 0.00 0.02 5.44 1.79 -1.86 -0.23 116.57 124.33 2abd h LYS 66 Ca -0.47 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2abd h LYS 66 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2abd h LYS 66 CO 0.68 0.00 -0.01 0.93 -1.08 0.00 0.00 179.45 179.97 2abd h GLU 67 N 0.00 -0.03 -0.43 3.15 4.39 -1.91 0.15 114.58 119.90 2abd h GLU 67 Ca 0.26 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.05 2abd h GLU 67 Cb 1.13 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.69 2abd h GLU 67 CO -0.00 0.69 -0.19 -0.44 -1.16 0.00 0.00 179.01 177.91 2abd h ASP 68 N -0.84 -0.65 0.63 1.42 3.32 -1.49 0.79 116.42 119.60 2abd h ASP 68 Ca -0.00 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2abd h ASP 68 Cb 0.73 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2abd h ASP 68 CO 0.01 -0.22 -0.46 0.00 -1.72 0.00 0.00 179.24 176.84 2abd h ALA 69 N 1.22 -1.20 0.43 3.45 0.00 -1.16 0.32 119.26 122.32 2abd h ALA 69 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2abd h ALA 69 Cb 0.42 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2abd h ALA 69 CO -0.50 -1.19 -0.31 0.52 0.00 0.00 0.00 179.25 177.77 2abd h MET 70 N -1.05 -0.69 0.00 0.00 2.86 -0.08 -1.14 114.93 114.84 2abd h MET 70 Ca -0.08 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2abd h MET 70 Cb 0.86 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2abd h MET 70 CO 0.04 -0.46 0.00 1.63 1.06 0.00 0.00 176.91 179.18 2abd n LYS 71 N -4.30 0.00 -0.39 1.72 4.76 0.27 -1.63 118.16 118.60 2abd n LYS 71 Ca -0.09 0.71 -0.09 0.00 -2.87 0.00 0.00 58.31 55.97 2abd n LYS 71 Cb 0.31 -1.33 -0.08 0.00 -1.84 0.00 0.00 35.03 32.08 2abd n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2abd n ALA 72 N -2.12 -0.56 -0.40 7.82 0.00 0.11 0.25 120.51 125.61 2abd n ALA 72 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 53.44 54.14 2abd n ALA 72 Cb 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 2abd n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2abd n TYR 73 N -5.18 -0.42 0.20 0.00 9.36 -0.43 0.41 117.16 121.09 2abd n TYR 73 Ca 0.02 1.20 -0.08 0.00 3.32 0.00 0.00 57.90 62.36 2abd n TYR 73 Cb 0.25 -0.58 -0.04 0.00 -0.63 0.00 0.00 39.34 38.35 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 -0.61 2.97 2.04 -0.09 0.35 117.51 122.16 2abd h ILE 74 Ca 0.15 -0.12 0.22 0.00 1.00 0.00 0.00 64.86 66.11 2abd h ILE 74 Cb 0.39 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.40 2abd h ILE 74 CO -0.90 0.00 0.38 0.47 0.00 0.00 0.00 178.15 178.10 2abd n ASP 75 N -3.76 0.13 -0.13 1.72 9.92 0.14 0.07 116.55 124.63 2abd n ASP 75 Ca -0.07 0.72 -0.24 0.00 -0.53 0.00 0.00 54.79 54.68 2abd n ASP 75 Cb 0.21 -0.35 -0.11 0.00 -0.64 0.00 0.00 41.12 40.23 2abd n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2abd n LYS 76 N -3.79 0.61 -0.20 -1.24 4.76 0.16 -4.61 118.16 113.85 2abd n LYS 76 Ca 0.19 0.20 0.08 0.00 -2.87 0.00 0.00 58.31 55.92 2abd n LYS 76 Cb 0.72 -1.49 0.17 0.00 -1.84 0.00 0.00 35.03 32.59 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2abd n VAL 77 N -3.76 -0.25 -0.22 -0.18 0.31 0.12 0.09 118.33 114.45 2abd n VAL 77 Ca -0.50 1.29 0.09 0.00 -0.01 0.00 0.00 64.34 65.21 2abd n VAL 77 Cb 0.93 -1.88 0.18 0.00 -0.91 0.00 0.00 33.84 32.17 2abd n VAL 77 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2abd n GLU 78 N -4.74 -0.05 -0.02 5.55 0.00 -1.16 0.21 120.64 120.42 2abd n GLU 78 Ca 0.14 0.96 -0.10 0.00 0.00 0.00 0.00 57.16 58.16 2abd n GLU 78 Cb 0.44 -1.52 -0.03 0.00 0.00 0.00 0.00 31.44 30.33 2abd n GLU 78 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2abd h GLU 79 N 0.00 -0.35 -0.46 5.31 4.39 -0.68 0.29 114.58 123.08 2abd h GLU 79 Ca 0.39 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 2abd h GLU 79 Cb 0.79 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 2abd h GLU 79 CO -0.60 -0.23 0.26 -0.07 -1.16 0.00 0.00 179.01 177.21 2abd h LEU 80 N -0.36 0.57 -2.27 1.33 3.38 0.23 0.52 115.31 118.70 2abd h LEU 80 Ca 0.11 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2abd h LEU 80 Cb 0.53 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2abd h LEU 80 CO -0.37 0.48 0.17 0.50 0.09 0.00 0.00 178.44 179.31 2abd h LYS 81 N 0.61 0.00 0.03 1.13 3.64 0.31 0.49 116.57 122.78 2abd h LYS 81 Ca 0.16 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.18 2abd h LYS 81 Cb 0.03 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2abd h LYS 81 CO -0.03 0.00 -2.07 1.63 -2.27 0.00 0.00 179.45 176.71 2abd n LYS 82 N -3.76 0.64 -0.03 1.90 5.02 0.91 -2.88 118.16 119.96 2abd n LYS 82 Ca 0.01 0.31 -0.16 0.00 -2.02 0.00 0.00 58.31 56.45 2abd n LYS 82 Cb 0.29 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.59 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 0.49 0.00 1.97 3.64 0.28 -3.39 116.57 119.09 2abd h LYS 83 Ca -0.51 -0.41 -0.42 0.00 -1.27 0.00 0.00 60.65 58.04 2abd h LYS 83 Cb 1.72 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 33.56 2abd h LYS 83 CO -0.16 1.04 -2.50 0.66 -2.27 0.00 0.00 179.45 176.22 2abd n TYR 84 N -4.25 0.02 0.00 1.91 4.01 0.14 -5.01 117.16 113.98 2abd n TYR 84 Ca -0.08 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2abd n TYR 84 Cb 0.59 -1.00 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 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 1.79 0.31 0.39 2.72 0.00 0.46 -3.30 105.19 107.56 2abd n GLY 85 Ca -0.50 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.06 2abd n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83