#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 1.96 -0.05 4.33 0.00 -1.26 -5.08 119.66 119.56 2abd s GLN 2 Ca 0.00 -1.77 0.20 0.00 -0.00 0.00 0.00 55.36 53.79 2abd s GLN 2 Cb 0.00 0.45 -0.25 0.00 0.00 0.00 0.00 33.01 33.21 2abd s GLN 2 CO 0.00 -0.82 0.46 0.00 0.00 0.00 0.00 175.29 174.93 2abd n ALA 3 N -0.58 2.27 0.33 2.60 0.00 -1.26 -4.09 120.51 119.79 2abd n ALA 3 Ca 0.01 -0.74 0.15 0.00 0.00 0.00 0.00 53.44 52.85 2abd n ALA 3 Cb 0.61 -0.65 0.62 0.00 0.00 0.00 0.00 19.45 20.04 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 0.20 0.00 9.09 -1.98 0.72 114.58 122.62 2abd h GLU 4 Ca -0.18 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.22 2abd h GLU 4 Cb 1.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.55 2abd h GLU 4 CO 0.02 0.00 -0.10 0.35 0.05 0.00 0.00 179.01 179.33 2abd h PHE 5 N 0.00 -0.25 -0.94 2.06 3.57 -1.91 0.66 116.94 120.14 2abd h PHE 5 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2abd h PHE 5 Cb 0.36 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 2abd h PHE 5 CO 0.00 -0.00 0.55 -0.44 -2.23 0.00 0.00 178.31 176.19 2abd h ASP 6 N -1.02 1.14 0.20 0.41 3.32 -1.59 0.36 116.42 119.23 2abd h ASP 6 Ca -0.03 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2abd h ASP 6 Cb 0.35 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2abd h ASP 6 CO 0.04 0.89 -0.09 0.50 -1.72 0.00 0.00 179.24 178.86 2abd h LYS 7 N 1.30 -0.26 -0.27 3.56 1.63 -0.93 0.33 116.57 121.94 2abd h LYS 7 Ca 0.33 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.20 2abd h LYS 7 Cb -0.03 0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.58 2abd h LYS 7 CO -0.06 -0.17 -0.51 0.00 -3.45 0.00 0.00 179.45 175.26 2abd h ALA 8 N 0.54 -0.73 -0.55 5.00 0.00 0.15 0.26 119.26 123.93 2abd h ALA 8 Ca -0.03 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.98 2abd h ALA 8 Cb 0.21 0.99 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 2abd h ALA 8 CO 0.04 -1.01 -0.20 0.00 0.00 0.00 0.00 179.25 178.08 2abd h ALA 9 N -0.02 0.24 -0.74 0.00 0.00 0.02 0.23 119.26 118.99 2abd h ALA 9 Ca 0.07 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2abd h ALA 9 Cb 0.63 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2abd h ALA 9 CO -0.51 -0.51 0.40 1.49 0.00 0.00 0.00 179.25 180.12 2abd h GLU 10 N -0.07 1.02 0.18 0.00 4.81 0.14 -3.20 114.58 117.47 2abd h GLU 10 Ca 0.26 -0.11 -0.30 0.00 -0.13 0.00 0.00 59.36 59.07 2abd h GLU 10 Cb 0.47 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 29.66 2abd h GLU 10 CO -0.60 0.75 -1.42 0.93 -0.73 0.00 0.00 179.01 177.94 2abd h GLU 11 N 1.03 0.39 -0.80 1.92 5.08 0.68 -3.35 114.58 119.53 2abd h GLU 11 Ca 0.26 -0.67 0.16 0.00 -1.00 0.00 0.00 59.36 58.12 2abd h GLU 11 Cb 0.03 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 29.42 2abd h GLU 11 CO -0.04 1.32 0.33 -0.24 -1.00 0.00 0.00 179.01 179.38 2abd h VAL 12 N -0.06 0.61 -0.02 3.13 3.04 -0.65 0.27 116.25 122.57 2abd h VAL 12 Ca -0.27 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 2abd h VAL 12 Cb 1.96 0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 31.37 2abd h VAL 12 CO 0.18 0.08 0.07 0.11 -1.01 0.00 0.00 177.57 177.00 2abd h LYS 13 N 0.45 0.00 0.00 4.17 1.57 -1.68 -3.00 116.57 118.08 2abd h LYS 13 Ca 0.46 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.93 2abd h LYS 13 Cb 0.74 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 2abd h LYS 13 CO -0.44 0.00 -2.15 0.72 -0.57 0.00 0.00 179.45 177.01 2abd n HIS 14 N -3.20 0.00 0.00 -1.35 8.25 0.74 -5.07 115.22 114.60 2abd n HIS 14 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2abd n HIS 14 Cb 0.14 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.44 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 -0.23 2.41 4.77 -0.07 -4.74 117.00 116.32 2abd n LEU 15 Ca -0.31 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.64 2abd n LEU 15 Cb 0.98 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.06 2abd n LEU 15 CO 0.29 0.00 0.32 1.17 -1.33 0.00 0.00 177.39 177.84 2abd n LYS 16 N 0.00 -0.18 -2.73 3.23 4.81 0.16 -4.44 118.16 119.01 2abd n LYS 16 Ca 0.00 0.89 -0.21 0.00 -0.87 0.00 0.00 58.31 58.12 2abd n LYS 16 Cb 0.00 -1.32 0.06 0.00 0.02 0.00 0.00 35.03 33.79 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 -5.45 2.47 -0.54 3.15 2.01 -1.25 -5.06 115.64 110.96 2abd s THR 17 Ca -0.08 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 61.03 2abd s THR 17 Cb 0.10 -2.73 0.13 0.00 0.01 0.00 0.00 72.50 70.01 2abd s THR 17 CO 0.40 0.00 0.50 -0.54 -0.69 0.00 0.00 174.62 174.28 2abd s LYS 18 N -4.82 2.98 0.72 4.92 3.01 -1.26 -4.95 119.74 120.34 2abd s LYS 18 Ca 0.60 -1.73 -0.16 0.00 -1.01 0.00 0.00 55.97 53.67 2abd s LYS 18 Cb -0.08 -4.28 -0.04 0.00 -1.01 0.00 0.00 37.83 32.42 2abd s LYS 18 CO 0.40 -1.32 0.52 -2.30 0.51 0.00 0.00 175.35 173.15 2abd n PRO 19 N 5.20 0.29 -1.52 -1.68 -0.02 -1.26 -4.99 135.00 131.01 2abd n PRO 19 Ca -0.13 0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 61.19 2abd n PRO 19 Cb 0.40 -1.82 0.09 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.92 2.23 0.00 3.55 0.00 -1.26 -4.79 121.76 119.57 2abd s ALA 20 Ca 0.65 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2abd s ALA 20 Cb -0.35 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2abd s ALA 20 CO 0.58 -1.74 0.98 -0.40 0.00 0.00 0.00 175.76 175.18 2abd n ASP 21 N -3.45 0.00 -0.29 0.00 5.75 -1.26 -1.30 116.55 116.00 2abd n ASP 21 Ca 0.07 0.98 0.28 0.00 -0.01 0.00 0.00 54.79 56.11 2abd n ASP 21 Cb 0.56 -0.48 0.51 0.00 -1.03 0.00 0.00 41.12 40.68 2abd n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2abd n GLU 22 N -2.29 -0.05 0.21 0.11 -0.58 -1.26 0.77 120.64 117.55 2abd n GLU 22 Ca 0.00 1.15 -0.10 0.00 -0.42 0.00 0.00 57.16 57.79 2abd n GLU 22 Cb 0.00 -2.09 -0.05 0.00 -0.57 0.00 0.00 31.44 28.72 2abd n GLU 22 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2abd h GLU 23 N 0.00 -0.57 -0.95 3.49 5.08 -1.86 0.47 114.58 120.24 2abd h GLU 23 Ca 0.72 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 59.32 2abd h GLU 23 Cb 1.97 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 31.27 2abd h GLU 23 CO -0.61 -0.34 0.61 0.52 -1.00 0.00 0.00 179.01 178.19 2abd h MET 24 N -1.13 0.55 0.58 2.33 2.86 0.73 -0.16 114.93 120.70 2abd h MET 24 Ca -0.06 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2abd h MET 24 Cb 0.49 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 32.03 2abd h MET 24 CO 0.10 0.37 -0.28 -0.07 1.06 0.00 0.00 176.91 178.08 2abd h LEU 25 N 0.57 -0.66 -0.61 1.22 -0.00 0.44 0.58 115.31 116.85 2abd h LEU 25 Ca 0.51 -0.03 0.11 0.00 -0.00 0.00 0.00 57.88 58.47 2abd h LEU 25 Cb 1.05 0.17 -0.12 0.00 -0.00 0.00 0.00 40.66 41.76 2abd h LEU 25 CO -0.26 -0.35 -0.30 0.15 -0.00 0.00 0.00 178.44 177.68 2abd h PHE 26 N -0.97 -0.81 0.00 1.13 3.57 0.11 0.42 116.94 120.39 2abd h PHE 26 Ca -0.08 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2abd h PHE 26 Cb 0.66 0.45 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2abd h PHE 26 CO -0.00 -0.37 0.00 -0.89 -2.23 0.00 0.00 178.31 174.82 2abd n ILE 27 N -5.44 0.00 -0.35 1.41 -0.00 -0.18 -1.05 119.36 113.75 2abd n ILE 27 Ca 0.05 1.36 0.01 0.00 -0.00 0.00 0.00 62.75 64.17 2abd n ILE 27 Cb 0.36 -2.29 0.07 0.00 -0.00 0.00 0.00 39.64 37.77 2abd n ILE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2abd n TYR 28 N -1.69 0.13 0.33 1.39 9.36 0.19 0.73 117.16 127.61 2abd n TYR 28 Ca 0.00 1.13 -0.16 0.00 3.32 0.00 0.00 57.90 62.19 2abd n TYR 28 Cb 0.00 -0.91 -0.08 0.00 -0.63 0.00 0.00 39.34 37.72 2abd n TYR 28 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2abd h SER 29 N 0.00 -1.06 -0.14 2.98 4.64 -0.18 0.39 113.55 120.19 2abd h SER 29 Ca 0.36 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2abd h SER 29 Cb 0.59 0.32 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 2abd h SER 29 CO -0.93 -0.61 0.09 0.45 -0.87 0.00 0.00 176.83 174.96 2abd h HIS 30 N -0.97 0.18 -0.00 4.77 3.86 -0.67 0.38 115.15 122.70 2abd h HIS 30 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2abd h HIS 30 Cb 0.79 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.20 2abd h HIS 30 CO -0.10 0.12 -0.00 -0.92 0.86 0.00 0.00 177.93 177.89 2abd h TYR 31 N 0.17 -0.01 -0.83 2.45 3.20 0.48 0.11 116.97 122.54 2abd h TYR 31 Ca 0.05 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.12 2abd h TYR 31 Cb -0.01 0.01 -0.15 0.00 1.54 0.00 0.00 36.73 38.13 2abd h TYR 31 CO -0.06 -0.00 0.05 0.87 -1.64 0.00 0.00 178.16 177.37 2abd h LYS 32 N -0.00 0.10 0.17 1.82 1.79 -0.01 0.77 116.57 121.21 2abd h LYS 32 Ca 0.00 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2abd h LYS 32 Cb 0.00 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 2abd h LYS 32 CO -0.01 0.07 -0.28 1.96 -1.08 0.00 0.00 179.45 180.11 2abd h GLN 33 N 0.10 -0.50 -0.61 3.15 1.08 0.11 0.42 115.11 118.86 2abd h GLN 33 Ca 0.48 0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.80 2abd h GLN 33 Cb 0.90 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 28.38 2abd h GLN 33 CO -0.72 -0.34 0.25 0.00 -0.95 0.00 0.00 178.83 177.07 2abd h ALA 34 N 0.15 0.79 -0.37 3.87 0.00 0.73 -2.62 119.26 121.81 2abd h ALA 34 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2abd h ALA 34 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2abd h ALA 34 CO -0.13 -0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.21 2abd n THR 35 N -4.96 0.00 -0.02 0.00 -2.24 0.10 -4.72 114.28 102.44 2abd n THR 35 Ca 0.08 0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 62.19 2abd n THR 35 Cb 0.25 -1.33 -0.10 0.00 -2.10 0.00 0.00 70.33 67.05 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 0.00 1.29 0.00 2.28 2.07 -0.68 -3.51 116.25 117.70 2abd h VAL 36 Ca 0.00 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.86 2abd h VAL 36 Cb 0.00 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2abd h VAL 36 CO 0.00 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.59 2abd n GLY 37 N 1.09 0.13 3.72 2.17 0.00 0.11 -4.99 105.19 107.42 2abd n GLY 37 Ca -0.08 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 4.06 -0.79 1.61 1.11 -1.26 -3.16 116.67 114.23 2abd s ASP 38 Ca 0.00 2.28 -0.25 0.00 0.18 0.00 0.00 52.55 54.76 2abd s ASP 38 Cb 0.00 -2.58 -0.07 0.00 1.07 0.00 0.00 42.92 41.34 2abd s ASP 38 CO 0.00 -2.35 2.08 -0.51 1.18 0.00 0.00 175.17 175.58 2abd s ILE 39 N -2.15 3.29 -0.37 0.77 2.07 -1.26 -4.73 121.20 118.81 2abd s ILE 39 Ca 0.72 -0.15 0.06 0.00 -1.41 0.00 0.00 60.65 59.86 2abd s ILE 39 Cb -0.27 -3.67 0.45 0.00 0.13 0.00 0.00 42.46 39.10 2abd s ILE 39 CO 0.48 -0.63 1.26 0.59 -1.91 0.00 0.00 174.94 174.72 2abd n ASN 40 N 15.10 5.17 -0.01 4.50 3.02 -1.26 -4.61 115.26 137.17 2abd n ASN 40 Ca 0.38 -3.75 -0.02 0.00 -0.03 0.00 0.00 54.58 51.17 2abd n ASN 40 Cb 0.48 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.67 0.11 0.00 3.41 -2.24 -1.26 -5.16 114.28 108.48 2abd n THR 41 Ca 0.45 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 2abd n THR 41 Cb 0.85 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 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 -3.08 0.00 -1.78 -0.78 1.02 -1.26 -4.98 120.64 109.78 2abd n GLU 42 Ca -0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 2abd n GLU 42 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.90 2abd n GLU 42 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2abd s ARG 43 N -3.10 3.03 0.02 3.49 3.52 -1.26 -4.88 118.95 119.77 2abd s ARG 43 Ca 0.00 1.62 -0.11 0.00 -0.13 0.00 0.00 55.73 57.11 2abd s ARG 43 Cb 0.00 -4.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.00 2abd s ARG 43 CO 0.00 -2.21 0.26 -2.30 -0.81 0.00 0.00 175.30 170.24 2abd n PRO 44 N 8.70 0.00 -0.24 5.12 -0.02 -1.26 -4.89 135.00 142.40 2abd n PRO 44 Ca 0.27 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.77 2abd n PRO 44 Cb 0.47 -0.40 0.13 0.00 -0.02 0.00 0.00 33.50 33.69 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 0.69 1.06 -0.62 -1.23 0.00 -1.99 -3.46 103.07 97.53 2abd h GLY 45 Ca -0.13 -0.23 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 2abd h GLY 45 CO 0.19 0.07 -0.03 1.03 0.00 0.00 0.00 176.54 177.80 2abd n MET 46 N -4.86 0.85 0.00 4.80 2.81 -1.26 -4.92 117.12 114.54 2abd n MET 46 Ca 0.11 -1.20 0.00 0.00 -1.81 0.00 0.00 57.70 54.80 2abd n MET 46 Cb 0.27 -0.09 0.00 0.00 -0.71 0.00 0.00 33.22 32.69 2abd n MET 46 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2abd n LEU 47 N 0.00 0.00 0.00 4.03 0.00 -1.26 -4.81 117.00 114.96 2abd n LEU 47 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.07 2abd n LEU 47 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.65 2abd n LEU 47 CO 0.15 0.00 0.00 0.47 0.00 0.00 0.00 177.39 178.01 2abd n ASP 48 N 0.00 0.00 0.00 1.96 9.92 -1.26 -2.99 116.55 124.17 2abd n ASP 48 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2abd n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2abd n ASP 48 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2abd n PHE 49 N 0.00 0.00 -0.57 1.24 -1.74 -1.26 -0.15 117.46 114.98 2abd n PHE 49 Ca 0.00 0.00 0.46 0.00 -0.56 0.00 0.00 57.45 57.35 2abd n PHE 49 Cb 0.00 -0.38 0.76 0.00 1.52 0.00 0.00 39.48 41.37 2abd n PHE 49 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 2abd h LYS 50 N 0.00 0.02 0.00 3.97 1.79 -1.90 0.55 116.57 121.00 2abd h LYS 50 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2abd h LYS 50 Cb 0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2abd h LYS 50 CO 0.00 0.02 -0.70 0.41 -1.08 0.00 0.00 179.45 178.10 2abd n GLY 51 N -1.76 -0.02 0.31 3.86 0.00 0.79 -4.66 105.19 103.71 2abd n GLY 51 Ca 0.40 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 0.12 0.91 1.61 6.56 -1.20 0.12 116.57 124.69 2abd h LYS 52 Ca 0.00 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 2abd h LYS 52 Cb 0.70 -0.03 0.01 0.00 -0.57 0.00 0.00 32.23 32.34 2abd h LYS 52 CO 0.00 0.08 -0.44 0.00 -2.06 0.00 0.00 179.45 177.03 2abd h ALA 53 N 1.81 -1.22 -0.82 3.86 0.00 -1.06 0.54 119.26 122.36 2abd h ALA 53 Ca 0.53 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.32 2abd h ALA 53 Cb 1.04 0.47 -0.15 0.00 0.00 0.00 0.00 17.79 19.15 2abd h ALA 53 CO -0.73 -1.14 -0.29 0.87 0.00 0.00 0.00 179.25 177.97 2abd h LYS 54 N -1.32 -0.04 -0.07 0.00 1.79 -1.30 0.29 116.57 115.92 2abd h LYS 54 Ca -0.13 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2abd h LYS 54 Cb 0.94 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.56 2abd h LYS 54 CO 0.21 -0.03 -0.36 2.35 -1.08 0.00 0.00 179.45 180.54 2abd h TRP 55 N -0.04 -1.06 -0.10 -1.35 7.01 -0.60 -0.37 115.95 119.44 2abd h TRP 55 Ca 0.35 0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.43 2abd h TRP 55 Cb 0.60 0.47 -0.04 0.00 -2.10 0.00 0.00 29.16 28.09 2abd h TRP 55 CO -0.71 -0.36 -0.14 -0.44 -2.79 0.00 0.00 178.44 173.99 2abd h ASP 56 N -0.40 -0.44 -0.85 2.65 3.32 0.12 0.57 116.42 121.39 2abd h ASP 56 Ca 0.02 0.08 0.20 0.00 0.02 0.00 0.00 57.03 57.34 2abd h ASP 56 Cb 0.45 0.21 -0.12 0.00 0.22 0.00 0.00 39.33 40.09 2abd h ASP 56 CO -0.28 -0.19 0.34 0.00 -1.72 0.00 0.00 179.24 177.39 2abd h ALA 57 N 0.85 1.29 0.12 3.45 0.00 -0.02 0.30 119.26 125.25 2abd h ALA 57 Ca 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2abd h ALA 57 Cb 0.31 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2abd h ALA 57 CO -0.22 -0.31 -0.06 2.35 0.00 0.00 0.00 179.25 181.02 2abd h TRP 58 N 0.39 -0.15 -0.77 0.00 7.01 0.41 -3.25 115.95 119.60 2abd h TRP 58 Ca 0.51 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.66 2abd h TRP 58 Cb 0.92 0.05 -0.15 0.00 -2.10 0.00 0.00 29.16 27.88 2abd h TRP 58 CO -0.17 0.31 -0.21 -0.97 -2.79 0.00 0.00 178.44 174.62 2abd h ASN 59 N -0.73 -0.77 -1.31 2.65 -1.24 0.11 0.61 115.58 114.89 2abd h ASN 59 Ca -0.02 0.23 0.38 0.00 0.71 0.00 0.00 56.30 57.61 2abd h ASN 59 Cb 0.53 0.50 -0.07 0.00 0.73 0.00 0.00 38.32 40.01 2abd h ASN 59 CO 0.03 -0.26 0.91 -0.08 -1.29 0.00 0.00 177.43 176.74 2abd h GLU 60 N -0.01 0.09 0.05 6.67 4.81 -0.48 -0.95 114.58 124.76 2abd h GLU 60 Ca 0.36 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.48 2abd h GLU 60 Cb 0.57 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2abd h GLU 60 CO -0.80 0.06 -0.54 -0.07 -0.73 0.00 0.00 179.01 176.93 2abd h LEU 61 N 0.09 0.16 0.00 1.64 3.38 0.13 -3.47 115.31 117.24 2abd h LEU 61 Ca 0.67 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2abd h LEU 61 Cb 2.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 43.12 2abd h LEU 61 CO -0.13 1.24 0.00 1.17 0.09 0.00 0.00 178.44 180.81 2abd n LYS 62 N -4.38 0.00 0.00 1.13 4.81 -0.36 0.20 118.16 119.56 2abd n LYS 62 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 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 0.19 3.79 3.14 0.00 -1.26 -4.98 105.19 106.08 2abd n GLY 63 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.12 3.67 0.13 2.61 -1.32 0.13 -4.95 115.64 114.79 2abd s THR 64 Ca 0.00 0.65 -0.30 0.00 -1.21 0.00 0.00 61.69 60.83 2abd s THR 64 Cb 0.00 -3.23 -0.07 0.00 -1.51 0.00 0.00 72.50 67.69 2abd s THR 64 CO 0.00 -0.61 1.22 -0.55 -2.21 0.00 0.00 174.62 172.47 2abd s SER 65 N -3.21 7.05 0.40 8.08 0.15 -1.26 -4.86 113.70 120.05 2abd s SER 65 Ca 0.62 2.17 0.25 0.00 0.70 0.00 0.00 55.95 59.69 2abd s SER 65 Cb -0.16 -2.59 1.40 0.00 -1.71 0.00 0.00 66.02 62.96 2abd s SER 65 CO 0.48 -0.44 1.58 0.11 1.20 0.00 0.00 173.24 176.17 2abd h LYS 66 N 5.97 0.00 0.05 5.44 1.57 -1.90 0.21 116.57 127.92 2abd h LYS 66 Ca -0.43 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.22 2abd h LYS 66 Cb 1.21 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.53 2abd h LYS 66 CO 0.78 0.00 -0.52 0.93 -0.57 0.00 0.00 179.45 180.08 2abd h GLU 67 N 0.00 0.26 -0.30 3.15 4.39 -1.89 -3.15 114.58 117.05 2abd h GLU 67 Ca 0.86 -0.35 0.06 0.00 0.34 0.00 0.00 59.36 60.27 2abd h GLU 67 Cb 2.47 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 31.18 2abd h GLU 67 CO -0.66 1.10 -0.07 -0.44 -1.16 0.00 0.00 179.01 177.78 2abd h ASP 68 N -0.42 -0.27 -0.88 1.42 5.19 -1.08 0.20 116.42 120.59 2abd h ASP 68 Ca -0.08 0.09 0.15 0.00 -0.62 0.00 0.00 57.03 56.57 2abd h ASP 68 Cb 1.33 0.18 -0.15 0.00 0.18 0.00 0.00 39.33 40.87 2abd h ASP 68 CO 0.10 -0.10 -0.33 0.00 -3.12 0.00 0.00 179.24 175.79 2abd h ALA 69 N 1.29 0.23 0.49 3.45 0.00 -0.96 0.13 119.26 123.89 2abd h ALA 69 Ca 0.14 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 2abd h ALA 69 Cb 0.22 0.87 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2abd h ALA 69 CO -0.30 -0.57 -0.24 0.52 0.00 0.00 0.00 179.25 178.66 2abd h MET 70 N -0.04 -0.64 -0.75 0.00 2.86 -1.16 0.20 114.93 115.41 2abd h MET 70 Ca 0.34 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 58.12 2abd h MET 70 Cb 0.60 0.14 -0.11 0.00 0.06 0.00 0.00 31.60 32.30 2abd h MET 70 CO -0.90 -0.33 -0.51 0.87 1.06 0.00 0.00 176.91 177.09 2abd h LYS 71 N -0.99 -0.15 0.23 1.72 1.57 -0.13 0.30 116.57 119.12 2abd h LYS 71 Ca -0.07 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2abd h LYS 71 Cb 0.60 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 2abd h LYS 71 CO 0.11 -0.10 -0.39 0.00 -0.57 0.00 0.00 179.45 178.51 2abd h ALA 72 N 0.53 -0.97 -0.74 3.86 0.00 -0.79 -1.94 119.26 119.22 2abd h ALA 72 Ca 0.17 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.07 2abd h ALA 72 Cb 0.52 0.70 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 2abd h ALA 72 CO -0.80 -1.03 -0.34 0.98 0.00 0.00 0.00 179.25 178.06 2abd n TYR 73 N -4.68 -0.10 0.10 0.00 9.36 0.85 0.83 117.16 123.52 2abd n TYR 73 Ca -0.08 0.92 -0.05 0.00 3.32 0.00 0.00 57.90 62.02 2abd n TYR 73 Cb 0.32 -0.70 -0.02 0.00 -0.63 0.00 0.00 39.34 38.31 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 -1.27 2.97 2.04 -0.88 0.03 117.51 120.40 2abd h ILE 74 Ca 0.21 -0.43 0.37 0.00 1.00 0.00 0.00 64.86 66.00 2abd h ILE 74 Cb 0.40 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 2abd h ILE 74 CO -0.72 0.00 1.12 0.44 0.00 0.00 0.00 178.15 178.98 2abd h ASP 75 N -0.75 0.00 0.11 1.72 5.19 -1.03 1.06 116.42 122.72 2abd h ASP 75 Ca -0.03 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.01 2abd h ASP 75 Cb 0.24 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 2abd h ASP 75 CO 0.05 0.00 -2.20 1.17 -3.12 0.00 0.00 179.24 175.14 2abd n LYS 76 N -3.68 0.69 -0.35 3.56 0.00 0.24 -3.85 118.16 114.78 2abd n LYS 76 Ca 0.28 0.18 0.23 0.00 0.00 0.00 0.00 58.31 59.00 2abd n LYS 76 Cb 1.51 -1.62 0.48 0.00 0.00 0.00 0.00 35.03 35.40 2abd n LYS 76 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 2abd h VAL 77 N 0.02 0.42 -0.73 3.15 3.04 0.32 0.14 116.25 122.60 2abd h VAL 77 Ca -0.48 -0.13 0.23 0.00 -1.01 0.00 0.00 66.70 65.31 2abd h VAL 77 Cb 2.03 -0.01 -0.14 0.00 -2.01 0.00 0.00 31.29 31.16 2abd h VAL 77 CO 0.01 0.07 0.13 1.21 -1.01 0.00 0.00 177.57 177.99 2abd n GLU 78 N -4.82 -0.05 0.03 4.17 2.13 -0.42 0.19 120.64 121.87 2abd n GLU 78 Ca 0.29 1.07 -0.13 0.00 0.66 0.00 0.00 57.16 59.06 2abd n GLU 78 Cb 0.94 -1.77 -0.08 0.00 0.27 0.00 0.00 31.44 30.80 2abd n GLU 78 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2abd h GLU 79 N 0.00 -0.04 -0.82 5.31 4.39 -0.95 -2.25 114.58 120.21 2abd h GLU 79 Ca 0.50 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.34 2abd h GLU 79 Cb 1.14 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.71 2abd h GLU 79 CO -0.65 0.18 0.41 -0.07 -1.16 0.00 0.00 179.01 177.72 2abd h LEU 80 N -0.26 0.50 -2.77 1.33 3.38 0.19 0.66 115.31 118.35 2abd h LEU 80 Ca -0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2abd h LEU 80 Cb 0.24 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2abd h LEU 80 CO 0.01 0.23 0.03 0.50 0.09 0.00 0.00 178.44 179.29 2abd h LYS 81 N 0.61 0.00 0.00 1.13 3.64 -0.49 0.38 116.57 121.83 2abd h LYS 81 Ca 0.44 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.68 2abd h LYS 81 Cb 0.59 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2abd h LYS 81 CO -0.35 0.00 -1.32 0.36 -2.27 0.00 0.00 179.45 175.87 2abd n LYS 82 N -3.32 0.53 -0.10 1.90 -0.00 0.13 -3.21 118.16 114.10 2abd n LYS 82 Ca -0.03 0.31 -0.06 0.00 -0.00 0.00 0.00 58.31 58.53 2abd n LYS 82 Cb 0.10 -1.52 0.00 0.00 -0.00 0.00 0.00 35.03 33.62 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2abd h LYS 83 N -1.00 -0.07 0.00 -1.58 1.63 0.17 -3.37 116.57 112.35 2abd h LYS 83 Ca -0.20 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.48 2abd h LYS 83 Cb 1.09 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.72 2abd h LYS 83 CO -0.12 -0.05 -1.20 0.66 -3.45 0.00 0.00 179.45 175.29 2abd n TYR 84 N -5.32 0.00 -2.98 1.91 4.01 0.11 -4.97 117.16 109.92 2abd n TYR 84 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2abd n TYR 84 Cb 0.24 -0.45 -0.00 0.00 -0.31 0.00 0.00 39.34 38.82 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 2.08 -2.10 0.40 2.72 0.00 -0.14 -3.82 105.19 104.33 2abd n GLY 85 Ca -0.20 -1.44 0.05 0.00 0.00 0.00 0.00 46.02 44.44 2abd n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83