#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x5h s ALA 2 N 0.00 2.65 0.62 3.17 0.00 -1.26 -5.01 121.76 121.92 2x5h s ALA 2 Ca 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 2x5h s ALA 2 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2x5h s ALA 2 CO 0.00 -0.89 1.12 -1.54 0.00 0.00 0.00 175.76 174.45 2x5h s SER 3 N -2.18 5.30 0.36 0.00 1.04 -1.26 -4.90 113.70 112.06 2x5h s SER 3 Ca 0.69 2.09 0.07 0.00 0.48 0.00 0.00 55.95 59.28 2x5h s SER 3 Cb -0.21 -2.56 0.77 0.00 0.10 0.00 0.00 66.02 64.11 2x5h s SER 3 CO 0.32 -1.50 1.94 -0.07 0.98 0.00 0.00 173.24 174.90 2x5h h LEU 4 N 0.46 0.66 -0.51 2.42 3.38 -1.99 -1.12 115.31 118.61 2x5h h LEU 4 Ca -0.48 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2x5h h LEU 4 Cb 1.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2x5h h LEU 4 CO 0.55 0.40 0.27 0.50 0.09 0.00 0.00 178.44 180.25 2x5h h LYS 5 N 0.73 0.71 -0.35 1.13 3.64 -1.99 -0.79 116.57 119.65 2x5h h LYS 5 Ca 0.35 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2x5h h LYS 5 Cb 0.39 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2x5h h LYS 5 CO -0.13 0.57 0.10 0.93 -2.27 0.00 0.00 179.45 178.65 2x5h h GLU 6 N 0.68 0.50 0.11 1.90 5.08 -1.60 -0.91 114.58 120.33 2x5h h GLU 6 Ca 0.18 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2x5h h GLU 6 Cb 0.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2x5h h GLU 6 CO -0.03 0.45 -0.05 0.82 -1.00 0.00 0.00 179.01 179.20 2x5h h ILE 7 N 0.49 0.98 -0.49 3.13 2.04 -1.12 -2.85 117.51 119.68 2x5h h ILE 7 Ca 0.12 -1.33 0.08 0.00 1.00 0.00 0.00 64.86 64.73 2x5h h ILE 7 Cb 0.16 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.87 2x5h h ILE 7 CO -0.01 0.27 0.12 0.40 0.00 0.00 0.00 178.15 178.94 2x5h h ILE 8 N -0.87 0.75 -0.41 -0.67 2.04 -1.06 -0.36 117.51 116.93 2x5h h ILE 8 Ca -0.01 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2x5h h ILE 8 Cb 0.56 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2x5h h ILE 8 CO 0.02 0.05 0.23 0.44 0.00 0.00 0.00 178.15 178.89 2x5h h ASP 9 N 0.26 0.35 -0.11 1.72 3.32 -1.27 0.57 116.42 121.26 2x5h h ASP 9 Ca 0.25 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 2x5h h ASP 9 Cb 0.31 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2x5h h ASP 9 CO -0.30 0.25 -0.09 -0.08 -1.72 0.00 0.00 179.24 177.30 2x5h h GLU 10 N 0.46 0.26 -0.81 3.56 4.57 -1.19 -2.10 114.58 119.33 2x5h h GLU 10 Ca 0.17 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2x5h h GLU 10 Cb 0.04 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 2x5h h GLU 10 CO -0.10 0.64 0.39 -0.07 -1.18 0.00 0.00 179.01 178.69 2x5h h LEU 11 N -0.12 1.06 -0.73 1.64 3.38 -1.03 -1.46 115.31 118.05 2x5h h LEU 11 Ca 0.02 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2x5h h LEU 11 Cb 0.58 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2x5h h LEU 11 CO 0.02 0.89 0.46 1.23 0.09 0.00 0.00 178.44 181.13 2x5h h GLY 12 N 1.17 1.05 0.97 0.83 0.00 -0.82 0.17 103.07 106.44 2x5h h GLY 12 Ca 0.28 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2x5h h GLY 12 CO -0.03 0.29 0.14 1.70 0.00 0.00 0.00 176.54 178.64 2x5h h LYS 13 N 0.89 0.78 -0.17 4.80 1.63 -1.01 -1.37 116.57 122.12 2x5h h LYS 13 Ca 0.29 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 2x5h h LYS 13 Cb 0.02 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 2x5h h LYS 13 CO -0.11 0.74 0.10 1.96 -3.45 0.00 0.00 179.45 178.69 2x5h h GLN 14 N 0.68 0.24 -0.37 1.90 4.20 -0.88 0.28 115.11 121.15 2x5h h GLN 14 Ca 0.16 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2x5h h GLN 14 Cb 0.30 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2x5h h GLN 14 CO -0.00 0.22 0.21 0.00 -0.67 0.00 0.00 178.83 178.59 2x5h h ALA 15 N 1.01 0.48 -0.28 3.87 0.00 -0.60 0.63 119.26 124.36 2x5h h ALA 15 Ca 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2x5h h ALA 15 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2x5h h ALA 15 CO -0.01 0.00 0.06 -0.22 0.00 0.00 0.00 179.25 179.08 2x5h h LYS 16 N 0.48 0.46 -0.31 0.00 3.64 -1.10 0.26 116.57 120.01 2x5h h LYS 16 Ca 0.13 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 2x5h h LYS 16 Cb 0.05 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2x5h h LYS 16 CO -0.02 0.55 -0.38 0.93 -2.27 0.00 0.00 179.45 178.25 2x5h h GLU 17 N 0.29 0.72 -0.01 1.90 5.08 -0.25 -3.22 114.58 119.09 2x5h h GLU 17 Ca 0.09 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2x5h h GLU 17 Cb 0.30 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2x5h h GLU 17 CO 0.00 0.98 -0.46 1.04 -1.00 0.00 0.00 179.01 179.58 2x5h n GLN 18 N -4.04 1.28 -3.92 2.33 6.02 0.20 -5.00 117.38 114.24 2x5h n GLN 18 Ca -0.02 -0.97 -0.25 0.00 -0.01 0.00 0.00 57.00 55.75 2x5h n GLN 18 Cb 0.52 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 2x5h n GLN 18 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2x5h n ASN 19 N -0.04 -0.73 -3.88 1.08 5.15 0.90 -4.98 115.26 112.76 2x5h n ASN 19 Ca 0.09 -0.97 -0.09 0.00 -0.60 0.00 0.00 54.58 53.01 2x5h n ASN 19 Cb 0.45 -3.23 -0.05 0.00 -0.53 0.00 0.00 39.78 36.42 2x5h n ASN 19 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2x5h s LYS 20 N -6.48 1.39 0.17 1.20 -2.85 -1.07 -5.03 119.74 107.07 2x5h s LYS 20 Ca 0.06 -1.07 -0.31 0.00 -1.00 0.00 0.00 55.97 53.65 2x5h s LYS 20 Cb -0.03 0.47 -0.09 0.00 -2.06 0.00 0.00 37.83 36.12 2x5h s LYS 20 CO 0.88 -0.57 1.47 0.42 0.10 0.00 0.00 175.35 177.64 2x5h s ILE 21 N -3.94 2.87 -0.09 3.79 1.01 -1.26 -4.23 121.20 119.35 2x5h s ILE 21 Ca 0.15 0.66 0.04 0.00 0.00 0.00 0.00 60.65 61.50 2x5h s ILE 21 Cb 0.00 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 2x5h s ILE 21 CO 0.02 0.07 -0.23 0.00 0.00 0.00 0.00 174.94 174.80 2x5h s ALA 22 N 0.78 2.24 0.10 9.38 0.00 -0.55 -4.95 121.76 128.76 2x5h s ALA 22 Ca 0.65 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.66 2x5h s ALA 22 Cb -0.41 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2x5h s ALA 22 CO 0.34 0.35 -0.10 -1.12 0.00 0.00 0.00 175.76 175.22 2x5h s SER 23 N 0.10 1.52 -0.02 0.00 0.01 -1.26 -0.34 113.70 113.71 2x5h s SER 23 Ca -0.11 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2x5h s SER 23 Cb -0.16 0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.10 2x5h s SER 23 CO 0.06 -0.26 0.01 -0.60 0.41 0.00 0.00 173.24 172.86 2x5h s ARG 24 N -2.86 0.21 -0.11 12.44 3.52 -0.44 -4.99 118.95 126.73 2x5h s ARG 24 Ca 0.07 0.09 -0.29 0.00 -0.13 0.00 0.00 55.73 55.46 2x5h s ARG 24 Cb -0.03 -0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 32.92 2x5h s ARG 24 CO 0.00 -0.13 1.60 0.42 -0.81 0.00 0.00 175.30 176.39 2x5h s ILE 25 N 0.94 3.69 0.26 4.11 1.01 -1.26 -1.79 121.20 128.15 2x5h s ILE 25 Ca -0.09 0.82 -0.30 0.00 0.00 0.00 0.00 60.65 61.09 2x5h s ILE 25 Cb -0.12 -3.57 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 2x5h s ILE 25 CO -0.02 -0.12 0.98 -0.04 0.00 0.00 0.00 174.94 175.74 2x5h s MET 26 N 4.13 4.79 -0.55 2.79 -1.94 0.95 -4.99 119.30 124.48 2x5h s MET 26 Ca 0.71 1.55 -0.16 0.00 -1.71 0.00 0.00 55.69 56.08 2x5h s MET 26 Cb -0.30 -3.22 0.13 0.00 2.01 0.00 0.00 34.83 33.45 2x5h s MET 26 CO 0.28 0.43 0.53 0.15 -0.01 0.00 0.00 175.02 176.39 2x5h s LYS 27 N -1.31 3.00 -0.17 2.03 1.02 -1.26 -4.65 119.74 118.40 2x5h s LYS 27 Ca 0.43 -1.68 -0.04 0.00 0.02 0.00 0.00 55.97 54.70 2x5h s LYS 27 Cb -0.27 -4.30 -0.02 0.00 -0.52 0.00 0.00 37.83 32.72 2x5h s LYS 27 CO 0.34 -1.35 -0.04 0.42 -0.92 0.00 0.00 175.35 173.80 2x5h s ILE 28 N 1.71 3.80 0.13 2.17 1.01 -1.26 -4.92 121.20 123.84 2x5h s ILE 28 Ca 0.04 -0.38 -0.31 0.00 0.00 0.00 0.00 60.65 60.00 2x5h s ILE 28 Cb -0.29 -2.68 -0.10 0.00 0.01 0.00 0.00 42.46 39.40 2x5h s ILE 28 CO 0.03 0.48 1.81 -0.75 0.00 0.00 0.00 174.94 176.51 2x5h s LYS 29 N 0.58 4.14 0.00 2.79 2.20 -1.26 -2.37 119.74 125.81 2x5h s LYS 29 Ca -0.03 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 2x5h s LYS 29 Cb -0.14 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 2x5h s LYS 29 CO 0.03 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 2x5h n GLY 30 N 4.20 1.44 3.63 5.54 0.00 -1.26 -5.03 105.19 113.71 2x5h n GLY 30 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2x5h n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x5h s ILE 31 N -2.33 4.75 -0.09 -0.61 1.01 -1.00 -4.92 121.20 118.01 2x5h s ILE 31 Ca 0.00 1.39 0.10 0.00 0.00 0.00 0.00 60.65 62.13 2x5h s ILE 31 Cb 0.00 -4.19 -0.13 0.00 0.01 0.00 0.00 42.46 38.15 2x5h s ILE 31 CO 0.00 -0.24 0.06 2.29 0.00 0.00 0.00 174.94 177.04 2x5h n LYS 32 N 6.27 2.09 0.00 2.79 2.85 -1.26 -4.86 118.16 126.03 2x5h n LYS 32 Ca 0.06 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 2x5h n LYS 32 Cb 0.48 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 2x5h n LYS 32 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2x5h n ARG 33 N -2.34 0.00 -2.37 -1.58 0.63 -1.26 -5.01 116.66 104.73 2x5h n ARG 33 Ca -0.15 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.36 2x5h n ARG 33 Cb 0.78 -0.60 -0.03 0.00 0.45 0.00 0.00 32.46 33.05 2x5h n ARG 33 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2x5h s ILE 34 N -1.96 3.53 -0.14 5.15 1.01 -1.26 -2.91 121.20 124.61 2x5h s ILE 34 Ca 0.00 1.31 -0.07 0.00 0.00 0.00 0.00 60.65 61.89 2x5h s ILE 34 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2x5h s ILE 34 CO 0.00 0.22 0.13 -0.69 0.00 0.00 0.00 174.94 174.60 2x5h s VAL 35 N -0.19 5.41 -0.15 2.92 1.01 0.37 -4.93 120.40 124.84 2x5h s VAL 35 Ca 0.52 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2x5h s VAL 35 Cb -0.33 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2x5h s VAL 35 CO 0.38 0.57 -0.19 -0.69 0.00 0.00 0.00 175.10 175.17 2x5h s VAL 36 N -0.67 2.34 0.09 2.92 1.01 -1.26 -0.42 120.40 124.41 2x5h s VAL 36 Ca 0.13 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.33 2x5h s VAL 36 Cb -0.12 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2x5h s VAL 36 CO 0.02 0.53 -0.26 -1.10 0.00 0.00 0.00 175.10 174.29 2x5h s GLN 37 N 0.85 1.56 -0.13 2.72 -0.21 0.52 -0.03 119.66 124.94 2x5h s GLN 37 Ca -0.06 -1.22 -0.07 0.00 0.02 0.00 0.00 55.36 54.03 2x5h s GLN 37 Cb -0.15 -1.90 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 2x5h s GLN 37 CO -0.02 0.47 0.13 -0.51 -2.12 0.00 0.00 175.29 173.24 2x5h s LEU 38 N -1.66 4.29 -0.04 2.90 1.43 -0.74 -1.02 118.68 123.83 2x5h s LEU 38 Ca 0.12 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 2x5h s LEU 38 Cb -0.10 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.07 2x5h s LEU 38 CO 0.04 0.37 -0.14 0.20 0.23 0.00 0.00 176.35 177.05 2x5h s ASN 39 N -0.78 1.77 -0.31 2.29 0.01 0.13 -1.33 114.94 116.72 2x5h s ASN 39 Ca 0.14 -0.29 -0.11 0.00 -0.71 0.00 0.00 52.86 51.89 2x5h s ASN 39 Cb -0.12 -0.53 -0.02 0.00 0.41 0.00 0.00 41.25 40.99 2x5h s ASN 39 CO 0.03 0.11 0.19 0.00 -1.51 0.00 0.00 177.10 175.92 2x5h s ALA 40 N 0.18 3.41 -0.25 0.60 0.00 0.54 -1.45 121.76 124.80 2x5h s ALA 40 Ca -0.05 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.62 2x5h s ALA 40 Cb -0.11 -2.50 0.05 0.00 0.00 0.00 0.00 23.12 20.56 2x5h s ALA 40 CO 0.02 -0.85 -0.12 0.08 0.00 0.00 0.00 175.76 174.89 2x5h s VAL 41 N 1.69 2.12 0.24 0.00 1.01 0.13 -1.48 120.40 124.11 2x5h s VAL 41 Ca 0.06 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.23 2x5h s VAL 41 Cb -0.17 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.93 2x5h s VAL 41 CO 0.09 0.05 1.32 -2.84 0.00 0.00 0.00 175.10 173.73 2x5h s PRO 42 N 1.14 4.37 -0.28 2.72 0.02 -1.26 -0.48 135.00 141.23 2x5h s PRO 42 Ca -0.07 2.12 -0.23 0.00 0.02 0.00 0.00 61.00 62.85 2x5h s PRO 42 Cb -0.19 -3.15 0.09 0.00 0.02 0.00 0.00 34.50 31.27 2x5h s PRO 42 CO -0.06 -0.25 0.80 -1.14 -0.33 0.00 0.00 177.00 176.02 2x5h s GLN 43 N -0.57 0.71 -1.36 5.54 0.74 -0.03 -4.92 119.66 119.76 2x5h s GLN 43 Ca 0.55 0.94 -0.10 0.00 0.05 0.00 0.00 55.36 56.80 2x5h s GLN 43 Cb -0.38 0.29 0.07 0.00 1.10 0.00 0.00 33.01 34.10 2x5h s GLN 43 CO 0.42 -0.10 0.56 -0.25 -0.55 0.00 0.00 175.29 175.37 2x5h n ASP 44 N 3.00 -4.02 0.00 6.67 8.00 -1.26 -0.98 116.55 127.95 2x5h n ASP 44 Ca -0.15 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2x5h n ASP 44 Cb 0.56 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 2x5h n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x5h n GLY 45 N -1.26 0.44 3.39 0.44 0.00 -1.26 -5.01 105.19 101.92 2x5h n GLY 45 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2x5h n GLY 45 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2x5h n LYS 46 N -2.27 0.52 -4.46 1.61 2.85 -0.15 -5.16 118.16 111.10 2x5h n LYS 46 Ca 0.00 -3.50 -0.34 0.00 -1.05 0.00 0.00 58.31 53.43 2x5h n LYS 46 Cb 0.08 2.16 -0.12 0.00 -0.65 0.00 0.00 35.03 36.50 2x5h n LYS 46 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2x5h s ILE 47 N -3.20 3.79 0.10 0.58 -1.09 -1.26 -0.86 121.20 119.27 2x5h s ILE 47 Ca 0.27 -0.40 0.08 0.00 -2.23 0.00 0.00 60.65 58.36 2x5h s ILE 47 Cb 0.01 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 2x5h s ILE 47 CO 0.19 0.51 -0.13 -0.60 -1.23 0.00 0.00 174.94 173.67 2x5h s ARG 48 N 0.24 2.01 0.06 2.79 3.52 0.36 -4.93 118.95 123.00 2x5h s ARG 48 Ca -0.03 -1.07 0.08 0.00 -0.13 0.00 0.00 55.73 54.58 2x5h s ARG 48 Cb -0.14 -2.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.98 2x5h s ARG 48 CO 0.03 0.50 -0.19 0.71 -0.81 0.00 0.00 175.30 175.55 2x5h s TYR 49 N -1.16 2.54 0.05 5.12 2.02 -1.26 0.22 117.35 124.88 2x5h s TYR 49 Ca 0.19 -0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.59 2x5h s TYR 49 Cb -0.11 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 2x5h s TYR 49 CO 0.11 0.27 0.03 -1.54 -1.57 0.00 0.00 175.55 172.86 2x5h s SER 50 N -1.57 0.34 -0.08 2.29 1.04 -0.53 -4.99 113.70 110.21 2x5h s SER 50 Ca 0.15 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.81 2x5h s SER 50 Cb -0.10 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 2x5h s SER 50 CO 0.06 -0.59 -0.20 -0.04 0.98 0.00 0.00 173.24 173.45 2x5h s MET 51 N -3.49 2.77 0.04 4.02 -1.94 -1.26 -0.69 119.30 118.75 2x5h s MET 51 Ca 0.03 -0.82 0.02 0.00 -1.71 0.00 0.00 55.69 53.21 2x5h s MET 51 Cb 0.04 -2.31 -0.02 0.00 2.01 0.00 0.00 34.83 34.55 2x5h s MET 51 CO -0.09 0.37 -0.08 0.95 -0.01 0.00 0.00 175.02 176.16 2x5h s THR 52 N -0.11 0.57 0.04 2.05 -4.23 -0.19 -0.59 115.64 113.18 2x5h s THR 52 Ca -0.04 -1.10 0.06 0.00 -1.18 0.00 0.00 61.69 59.42 2x5h s THR 52 Cb -0.14 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 73.02 2x5h s THR 52 CO 0.04 -0.38 -0.12 0.27 -0.54 0.00 0.00 174.62 173.89 2x5h s ILE 53 N -1.39 3.24 0.13 2.99 -4.36 -0.16 -0.35 121.20 121.29 2x5h s ILE 53 Ca -0.09 -1.04 -0.07 0.00 -0.26 0.00 0.00 60.65 59.19 2x5h s ILE 53 Cb -0.10 -2.41 -0.02 0.00 1.25 0.00 0.00 42.46 41.18 2x5h s ILE 53 CO 0.00 0.32 0.19 -1.00 0.24 0.00 0.00 174.94 174.69 2x5h s HIS 54 N -1.01 0.46 0.81 1.37 3.76 0.44 -2.23 115.29 118.89 2x5h s HIS 54 Ca 0.17 -0.85 -0.12 0.00 -0.15 0.00 0.00 55.06 54.11 2x5h s HIS 54 Cb -0.11 -0.18 0.08 0.00 1.11 0.00 0.00 32.58 33.48 2x5h s HIS 54 CO 0.08 -0.61 1.11 0.45 -0.85 0.00 0.00 174.74 174.91 2x5h s SER 55 N -2.96 4.38 0.00 1.40 0.15 -1.26 0.14 113.70 115.55 2x5h s SER 55 Ca 0.15 1.21 0.23 0.00 0.70 0.00 0.00 55.95 58.24 2x5h s SER 55 Cb 0.05 -1.91 1.27 0.00 -1.71 0.00 0.00 66.02 63.72 2x5h s SER 55 CO -0.03 -2.03 1.83 0.00 1.20 0.00 0.00 173.24 174.22 2x5h n GLN 56 N -3.46 1.16 -0.04 5.44 6.02 -1.15 -3.89 117.38 121.46 2x5h n GLN 56 Ca 0.07 -0.23 0.03 0.00 -0.01 0.00 0.00 57.00 56.86 2x5h n GLN 56 Cb 0.57 -1.38 0.05 0.00 1.02 0.00 0.00 30.24 30.51 2x5h n GLN 56 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2x5h n ASN 57 N -0.61 1.97 -3.15 1.08 3.02 -1.26 -4.92 115.26 111.38 2x5h n ASN 57 Ca 0.17 -1.60 0.06 0.00 -0.03 0.00 0.00 54.58 53.18 2x5h n ASN 57 Cb 0.14 -0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2x5h n ASN 57 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2x5h s ASN 58 N -0.74 -0.33 0.43 6.41 3.84 -1.25 -5.06 114.94 118.25 2x5h s ASN 58 Ca 0.10 0.08 0.23 0.00 0.21 0.00 0.00 52.86 53.47 2x5h s ASN 58 Cb 0.06 1.22 0.41 0.00 -0.55 0.00 0.00 41.25 42.39 2x5h s ASN 58 CO 0.08 -0.06 1.63 -0.26 -2.79 0.00 0.00 177.10 175.70 2x5h h PHE 59 N 7.41 0.00 0.00 0.43 -1.00 -1.92 -3.22 116.94 118.65 2x5h h PHE 59 Ca -0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.68 2x5h h PHE 59 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 2x5h h PHE 59 CO -0.10 0.05 0.00 0.00 -1.61 0.00 0.00 178.31 176.65 2x5h h ARG 60 N 0.00 0.00 -5.66 1.51 3.08 -1.97 -3.39 114.38 107.95 2x5h h ARG 60 Ca -0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2x5h h ARG 60 Cb 0.99 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.93 2x5h h ARG 60 CO 0.01 0.00 0.30 0.15 -1.07 0.00 0.00 179.97 179.36 2x5h s LYS 61 N -3.44 3.99 0.09 0.04 1.02 -1.21 -5.03 119.74 115.20 2x5h s LYS 61 Ca 0.04 0.54 -0.16 0.00 0.02 0.00 0.00 55.97 56.41 2x5h s LYS 61 Cb 0.07 -3.71 0.03 0.00 -0.52 0.00 0.00 37.83 33.71 2x5h s LYS 61 CO 0.60 -0.59 0.39 1.14 -0.92 0.00 0.00 175.35 175.97 2x5h s GLN 62 N 2.78 0.99 -0.08 1.68 -2.07 -1.26 -4.47 119.66 117.24 2x5h s GLN 62 Ca 0.30 -0.58 0.02 0.00 -1.82 0.00 0.00 55.36 53.28 2x5h s GLN 62 Cb -0.15 0.44 0.01 0.00 -1.09 0.00 0.00 33.01 32.22 2x5h s GLN 62 CO 0.11 -0.37 -0.13 0.42 -1.32 0.00 0.00 175.29 174.00 2x5h s ILE 63 N -3.26 1.25 0.11 3.63 1.01 -0.94 -4.98 121.20 118.01 2x5h s ILE 63 Ca -0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 2x5h s ILE 63 Cb 0.01 -1.14 -0.06 0.00 0.01 0.00 0.00 42.46 41.28 2x5h s ILE 63 CO -0.08 0.38 1.10 -0.83 0.00 0.00 0.00 174.94 175.51 2x5h s GLY 64 N 0.73 2.74 0.19 6.18 0.00 -1.26 -0.99 107.32 114.90 2x5h s GLY 64 Ca -0.13 0.76 0.08 0.00 0.00 0.00 0.00 44.72 45.42 2x5h s GLY 64 CO 0.03 1.76 -0.15 -0.26 0.00 0.00 0.00 173.10 174.48 2x5h s ILE 65 N 0.38 1.70 0.21 0.90 -4.36 0.24 -4.97 121.20 115.31 2x5h s ILE 65 Ca 0.52 -2.11 -0.00 0.00 -0.26 0.00 0.00 60.65 58.80 2x5h s ILE 65 Cb -0.27 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 2x5h s ILE 65 CO 0.32 -0.53 0.14 0.42 0.24 0.00 0.00 174.94 175.52 2x5h s THR 66 N -2.73 0.05 0.57 8.37 -4.23 -1.26 -4.23 115.64 112.19 2x5h s THR 66 Ca 0.20 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.99 2x5h s THR 66 Cb -0.02 -2.51 0.38 0.00 1.34 0.00 0.00 72.50 71.69 2x5h s THR 66 CO 0.06 0.00 1.97 -0.65 -0.54 0.00 0.00 174.62 175.47 2x5h h PRO 67 N 2.57 0.00 0.00 3.99 0.11 -2.02 0.25 132.00 136.91 2x5h h PRO 67 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2x5h h PRO 67 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2x5h h PRO 67 CO 0.53 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.28 2x5h h GLN 68 N 0.00 0.00 -0.00 1.05 7.50 -2.04 -1.77 115.11 119.85 2x5h h GLN 68 Ca 0.20 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.35 2x5h h GLN 68 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.52 2x5h h GLN 68 CO -0.00 0.00 -0.10 -0.25 -1.50 0.00 0.00 178.83 176.98 2x5h n ASP 69 N -2.59 0.51 -0.18 1.46 8.00 0.08 -4.38 116.55 119.45 2x5h n ASP 69 Ca 0.00 -0.67 -0.01 0.00 0.71 0.00 0.00 54.79 54.83 2x5h n ASP 69 Cb 0.19 -0.06 0.09 0.00 -0.02 0.00 0.00 41.12 41.31 2x5h n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x5h h ALA 70 N 3.69 0.64 -0.39 2.24 0.00 -1.44 -1.67 119.26 122.32 2x5h h ALA 70 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2x5h h ALA 70 Cb 0.34 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2x5h h ALA 70 CO 0.00 -0.30 0.04 1.49 0.00 0.00 0.00 179.25 180.47 2x5h h GLU 71 N 0.25 0.66 -0.37 0.00 4.57 -1.82 -1.90 114.58 115.97 2x5h h GLU 71 Ca 0.28 -0.19 0.07 0.00 -1.18 0.00 0.00 59.36 58.34 2x5h h GLU 71 Cb 0.40 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.86 2x5h h GLU 71 CO -0.37 0.73 0.01 -0.44 -1.18 0.00 0.00 179.01 177.77 2x5h h ASP 72 N 0.50 -0.13 -0.97 1.04 5.19 -1.74 0.14 116.42 120.44 2x5h h ASP 72 Ca 0.12 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.64 2x5h h ASP 72 Cb 0.41 0.14 -0.06 0.00 0.18 0.00 0.00 39.33 40.01 2x5h h ASP 72 CO 0.01 -0.03 0.64 -0.07 -3.12 0.00 0.00 179.24 176.67 2x5h h LEU 73 N 0.11 1.06 -0.73 1.55 3.38 -0.96 -0.85 115.31 118.87 2x5h h LEU 73 Ca 0.18 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2x5h h LEU 73 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2x5h h LEU 73 CO -0.30 0.73 -0.22 0.11 0.09 0.00 0.00 178.44 178.85 2x5h h LYS 74 N 1.23 0.73 -0.29 1.13 1.57 -0.56 -1.75 116.57 118.63 2x5h h LYS 74 Ca 0.39 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 2x5h h LYS 74 Cb -0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2x5h h LYS 74 CO -0.12 0.89 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.27 2x5h h LEU 75 N 0.64 0.62 -0.31 2.94 3.38 -0.38 -0.58 115.31 121.61 2x5h h LEU 75 Ca 0.09 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2x5h h LEU 75 Cb 0.72 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2x5h h LEU 75 CO 0.06 0.89 -0.10 0.40 0.09 0.00 0.00 178.44 179.78 2x5h h ILE 76 N 0.52 1.28 -0.87 1.22 2.04 -1.05 -1.60 117.51 119.05 2x5h h ILE 76 Ca 0.06 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.79 2x5h h ILE 76 Cb 0.78 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 2x5h h ILE 76 CO 0.06 0.37 0.57 0.00 0.00 0.00 0.00 178.15 179.15 2x5h h ALA 77 N 0.79 1.12 -0.58 1.87 0.00 -1.12 -0.86 119.26 120.47 2x5h h ALA 77 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2x5h h ALA 77 Cb 0.60 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2x5h h ALA 77 CO 0.03 0.46 0.23 0.93 0.00 0.00 0.00 179.25 180.90 2x5h h GLU 78 N 1.14 0.88 -0.28 0.00 5.08 -1.00 -0.52 114.58 119.88 2x5h h GLU 78 Ca 0.33 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2x5h h GLU 78 Cb -0.08 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 2x5h h GLU 78 CO -0.09 0.75 0.12 0.35 -1.00 0.00 0.00 179.01 179.15 2x5h h PHE 79 N 0.81 0.22 -0.91 4.33 3.57 -0.90 0.03 116.94 124.09 2x5h h PHE 79 Ca 0.19 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2x5h h PHE 79 Cb 0.21 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 2x5h h PHE 79 CO 0.01 0.11 0.51 -0.07 -2.23 0.00 0.00 178.31 176.65 2x5h h LEU 80 N 0.26 1.13 -0.29 0.59 3.38 -0.84 -2.06 115.31 117.48 2x5h h LEU 80 Ca 0.12 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2x5h h LEU 80 Cb 0.06 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2x5h h LEU 80 CO -0.10 0.90 -0.30 -0.33 0.09 0.00 0.00 178.44 178.70 2x5h h GLU 81 N 1.28 0.72 -0.56 1.13 5.08 -0.90 0.44 114.58 121.77 2x5h h GLU 81 Ca 0.32 -0.38 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 2x5h h GLU 81 Cb 0.01 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 2x5h h GLU 81 CO -0.05 1.00 0.16 -0.22 -1.00 0.00 0.00 179.01 178.90 2x5h h LYS 82 N 0.47 0.31 -0.46 2.33 3.64 -0.68 -3.08 116.57 119.10 2x5h h LYS 82 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2x5h h LYS 82 Cb 0.87 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2x5h h LYS 82 CO 0.07 0.20 0.00 0.66 -2.27 0.00 0.00 179.45 178.12 2x5h n TYR 83 N -5.06 0.61 0.07 1.91 4.01 -0.80 -4.72 117.16 113.18 2x5h n TYR 83 Ca 0.07 -0.50 -0.11 0.00 -0.16 0.00 0.00 57.90 57.20 2x5h n TYR 83 Cb 0.27 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.23 2x5h n TYR 83 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2x5h h SER 84 N 2.68 -0.73 -0.32 7.72 4.64 -0.81 -0.88 113.55 125.85 2x5h h SER 84 Ca 0.00 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2x5h h SER 84 Cb 0.81 0.30 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2x5h h SER 84 CO 0.00 -0.32 0.18 0.44 -0.87 0.00 0.00 176.83 176.26 2x5h h ASP 85 N -0.40 0.38 0.08 4.97 3.45 -1.84 -1.97 116.42 121.10 2x5h h ASP 85 Ca 0.06 -0.07 0.02 0.00 0.43 0.00 0.00 57.03 57.47 2x5h h ASP 85 Cb 0.47 -0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 39.11 2x5h h ASP 85 CO -0.21 0.34 -0.27 0.15 -1.57 0.00 0.00 179.24 177.68 2x5h h PHE 86 N 0.40 -0.72 -0.03 4.55 3.57 -1.80 -1.66 116.94 121.25 2x5h h PHE 86 Ca 0.11 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 2x5h h PHE 86 Cb 0.03 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 2x5h h PHE 86 CO -0.04 -0.37 0.02 -0.07 -2.23 0.00 0.00 178.31 175.62 2x5h h LEU 87 N -0.45 0.04 -1.72 0.59 3.38 -1.09 0.28 115.31 116.33 2x5h h LEU 87 Ca 0.04 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.01 2x5h h LEU 87 Cb 0.50 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2x5h h LEU 87 CO -0.18 0.11 0.35 0.78 0.09 0.00 0.00 178.44 179.59 2x5h h ASN 88 N -0.04 0.29 0.16 -0.43 2.35 -1.25 -1.19 115.58 115.47 2x5h h ASN 88 Ca 0.01 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.49 2x5h h ASN 88 Cb 0.08 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.41 2x5h h ASN 88 CO -0.00 0.18 -1.35 -0.33 -1.65 0.00 0.00 177.43 174.27 2x5h h GLU 89 N 0.32 0.33 0.09 0.81 5.08 -0.83 -3.41 114.58 116.98 2x5h h GLU 89 Ca 0.23 -0.56 -0.28 0.00 -1.00 0.00 0.00 59.36 57.75 2x5h h GLU 89 Cb 0.50 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2x5h h GLU 89 CO -0.05 1.27 -1.41 -0.92 -1.00 0.00 0.00 179.01 176.90 2x5h h TYR 90 N -0.18 0.36 -4.04 4.33 5.03 -0.05 -3.47 116.97 118.96 2x5h h TYR 90 Ca -0.27 -0.26 -0.62 0.00 2.58 0.00 0.00 58.73 60.16 2x5h h TYR 90 Cb 1.86 -0.01 -0.23 0.00 1.55 0.00 0.00 36.73 39.89 2x5h h TYR 90 CO 0.14 1.27 -0.85 0.14 -1.32 0.00 0.00 178.16 177.54 2x5h s VAL 91 N -2.64 1.91 -0.25 1.81 -7.23 -0.48 -5.08 120.40 108.44 2x5h s VAL 91 Ca -0.06 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 58.43 2x5h s VAL 91 Cb 0.07 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 2x5h s VAL 91 CO 0.85 0.11 0.55 -0.54 -0.31 0.00 0.00 175.10 175.76 2x5h s LYS 92 N -1.67 4.10 0.41 4.82 1.02 -1.26 -4.65 119.74 122.51 2x5h s LYS 92 Ca 0.09 0.41 -0.18 0.00 0.02 0.00 0.00 55.97 56.31 2x5h s LYS 92 Cb -0.10 -3.64 -0.10 0.00 -0.52 0.00 0.00 37.83 33.48 2x5h s LYS 92 CO 0.04 -0.35 0.88 -0.06 -0.92 0.00 0.00 175.35 174.94 2x5h s PHE 93 N 2.29 3.36 -2.71 3.18 0.08 -1.26 -5.20 117.98 117.72 2x5h s PHE 93 Ca 0.23 1.44 0.22 0.00 0.12 0.00 0.00 56.93 58.93 2x5h s PHE 93 Cb -0.16 -2.72 0.17 0.00 -0.57 0.00 0.00 43.02 39.74 2x5h s PHE 93 CO 0.09 -0.10 1.19 -2.37 -0.10 0.00 0.00 175.22 173.93