#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x5h n SER 3 N 0.00 3.59 -0.03 0.00 2.88 -1.26 -4.87 113.62 113.93 2x5h n SER 3 Ca 0.00 0.53 -0.15 0.00 -1.33 0.00 0.00 58.87 57.92 2x5h n SER 3 Cb 0.00 -1.52 -0.04 0.00 -0.75 0.00 0.00 64.21 61.90 2x5h n SER 3 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2x5h h LEU 4 N 12.92 0.86 -0.79 2.46 5.85 -2.05 -2.33 115.31 132.23 2x5h h LEU 4 Ca -0.44 -0.52 0.06 0.00 0.84 0.00 0.00 57.88 57.81 2x5h h LEU 4 Cb 1.25 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 2x5h h LEU 4 CO 0.95 1.31 0.48 0.50 -0.34 0.00 0.00 178.44 181.34 2x5h h LYS 5 N 0.54 0.85 -0.42 1.25 3.64 -1.99 -0.81 116.57 119.62 2x5h h LYS 5 Ca -0.02 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 2x5h h LYS 5 Cb 1.29 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2x5h h LYS 5 CO 0.14 0.56 -0.06 1.49 -2.27 0.00 0.00 179.45 179.31 2x5h h GLU 6 N 0.87 0.79 -0.17 1.90 4.81 -1.93 0.34 114.58 121.19 2x5h h GLU 6 Ca 0.35 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2x5h h GLU 6 Cb 0.17 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2x5h h GLU 6 CO -0.17 0.90 0.11 0.82 -0.73 0.00 0.00 179.01 179.93 2x5h h ILE 7 N 0.62 1.06 -0.48 2.32 2.04 -1.25 -1.78 117.51 120.04 2x5h h ILE 7 Ca 0.11 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 2x5h h ILE 7 Cb 0.58 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2x5h h ILE 7 CO 0.03 0.05 0.03 0.40 0.00 0.00 0.00 178.15 178.67 2x5h h ILE 8 N 0.21 1.26 -0.76 -0.67 2.04 -1.00 -1.17 117.51 117.42 2x5h h ILE 8 Ca 0.06 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 64.95 2x5h h ILE 8 Cb -0.00 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 2x5h h ILE 8 CO -0.01 0.36 0.47 0.44 0.00 0.00 0.00 178.15 179.40 2x5h h ASP 9 N 0.69 0.76 -0.19 1.72 3.32 -0.86 -1.78 116.42 120.08 2x5h h ASP 9 Ca 0.14 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 2x5h h ASP 9 Cb 0.47 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2x5h h ASP 9 CO 0.02 0.51 -0.48 -0.08 -1.72 0.00 0.00 179.24 177.49 2x5h h GLU 10 N 0.90 0.76 -0.72 3.56 4.57 -1.01 -1.05 114.58 121.58 2x5h h GLU 10 Ca 0.32 -0.44 0.09 0.00 -1.18 0.00 0.00 59.36 58.14 2x5h h GLU 10 Cb 0.07 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.63 2x5h h GLU 10 CO -0.13 1.07 0.37 1.25 -1.18 0.00 0.00 179.01 180.38 2x5h h LEU 11 N 0.60 0.49 -0.27 1.64 5.85 -1.00 0.27 115.31 122.89 2x5h h LEU 11 Ca 0.03 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2x5h h LEU 11 Cb 1.05 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2x5h h LEU 11 CO 0.10 0.28 -0.01 1.23 -0.34 0.00 0.00 178.44 179.71 2x5h h GLY 12 N 0.62 0.53 0.86 3.75 0.00 -1.06 -1.43 103.07 106.34 2x5h h GLY 12 Ca 0.36 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.32 2x5h h GLY 12 CO -0.27 0.36 0.37 1.70 0.00 0.00 0.00 176.54 178.71 2x5h h LYS 13 N 0.27 0.71 -0.13 4.80 3.64 -0.74 -1.60 116.57 123.52 2x5h h LYS 13 Ca 0.08 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2x5h h LYS 13 Cb 0.43 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2x5h h LYS 13 CO 0.02 0.47 0.01 0.37 -2.27 0.00 0.00 179.45 178.04 2x5h h GLN 14 N 0.73 0.22 -0.93 1.90 4.15 -0.82 -1.65 115.11 118.70 2x5h h GLN 14 Ca 0.25 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.62 2x5h h GLN 14 Cb 0.03 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 2x5h h GLN 14 CO -0.11 0.45 0.61 0.00 -1.93 0.00 0.00 178.83 177.85 2x5h h ALA 15 N 0.76 1.21 0.40 3.38 0.00 -1.15 -0.92 119.26 122.95 2x5h h ALA 15 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2x5h h ALA 15 Cb 0.35 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2x5h h ALA 15 CO 0.01 0.51 -0.19 -0.22 0.00 0.00 0.00 179.25 179.36 2x5h h LYS 16 N 1.21 -0.52 0.00 0.00 3.64 -1.21 0.39 116.57 120.08 2x5h h LYS 16 Ca 0.36 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2x5h h LYS 16 Cb -0.06 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2x5h h LYS 16 CO -0.10 -0.25 0.00 0.93 -2.27 0.00 0.00 179.45 177.76 2x5h h GLU 17 N -0.72 0.00 -0.00 1.90 5.08 -1.13 -2.90 114.58 116.80 2x5h h GLU 17 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2x5h h GLU 17 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2x5h h GLU 17 CO 0.09 0.00 -0.11 1.04 -1.00 0.00 0.00 179.01 179.03 2x5h n GLN 18 N -2.52 2.76 -3.82 2.33 6.02 -0.36 -5.03 117.38 116.76 2x5h n GLN 18 Ca 0.02 -0.38 -0.26 0.00 -0.01 0.00 0.00 57.00 56.37 2x5h n GLN 18 Cb 0.28 -0.89 0.03 0.00 1.02 0.00 0.00 30.24 30.68 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 -0.45 -3.19 -3.61 1.08 5.15 0.14 -4.96 115.26 109.42 2x5h n ASN 19 Ca 0.02 -0.80 -0.09 0.00 -0.60 0.00 0.00 54.58 53.11 2x5h n ASN 19 Cb 0.09 -3.96 -0.02 0.00 -0.53 0.00 0.00 39.78 35.36 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 -6.34 1.43 0.34 1.20 -2.85 -1.13 -4.95 119.74 107.44 2x5h s LYS 20 Ca 0.37 -0.66 -0.29 0.00 -1.00 0.00 0.00 55.97 54.38 2x5h s LYS 20 Cb -0.18 0.57 -0.11 0.00 -2.06 0.00 0.00 37.83 36.05 2x5h s LYS 20 CO 0.82 -0.64 1.54 0.42 0.10 0.00 0.00 175.35 177.59 2x5h s ILE 21 N -3.75 2.06 -0.04 3.79 1.01 -1.26 -4.30 121.20 118.72 2x5h s ILE 21 Ca 0.06 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.82 2x5h s ILE 21 Cb -0.03 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 2x5h s ILE 21 CO -0.04 0.01 -0.22 0.00 0.00 0.00 0.00 174.94 174.69 2x5h s ALA 22 N -0.60 1.86 0.05 9.38 0.00 -0.52 -4.93 121.76 127.01 2x5h s ALA 22 Ca 0.58 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.66 2x5h s ALA 22 Cb -0.47 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2x5h s ALA 22 CO 0.56 0.38 -0.09 -1.12 0.00 0.00 0.00 175.76 175.49 2x5h s SER 23 N -0.19 1.01 -0.02 0.00 0.01 -1.26 -0.14 113.70 113.11 2x5h s SER 23 Ca -0.00 -0.60 -0.00 0.00 1.31 0.00 0.00 55.95 56.65 2x5h s SER 23 Cb -0.12 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.16 2x5h s SER 23 CO 0.02 -0.21 0.03 -0.60 0.41 0.00 0.00 173.24 172.90 2x5h s ARG 24 N -1.80 -0.00 -0.03 12.44 6.06 0.03 -4.98 118.95 130.67 2x5h s ARG 24 Ca -0.07 0.13 -0.26 0.00 -2.50 0.00 0.00 55.73 53.03 2x5h s ARG 24 Cb -0.09 -0.13 -0.04 0.00 0.06 0.00 0.00 34.95 34.76 2x5h s ARG 24 CO 0.00 -0.10 0.83 0.42 -2.50 0.00 0.00 175.30 173.95 2x5h s ILE 25 N 0.63 4.94 0.26 4.11 1.01 -1.26 -0.41 121.20 130.47 2x5h s ILE 25 Ca -0.05 1.73 -0.29 0.00 0.00 0.00 0.00 60.65 62.03 2x5h s ILE 25 Cb -0.07 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 2x5h s ILE 25 CO -0.02 0.22 1.13 -0.04 0.00 0.00 0.00 174.94 176.23 2x5h s MET 26 N 0.81 4.59 -0.92 2.79 -1.94 0.67 -4.97 119.30 120.33 2x5h s MET 26 Ca 0.44 1.84 -0.16 0.00 -1.71 0.00 0.00 55.69 56.10 2x5h s MET 26 Cb -0.19 -3.19 0.18 0.00 2.01 0.00 0.00 34.83 33.63 2x5h s MET 26 CO 0.23 0.13 1.01 0.15 -0.01 0.00 0.00 175.02 176.53 2x5h s LYS 27 N -1.21 3.68 -0.32 2.03 -0.14 -1.26 -4.65 119.74 117.86 2x5h s LYS 27 Ca 0.46 -2.18 -0.16 0.00 -1.36 0.00 0.00 55.97 52.74 2x5h s LYS 27 Cb -0.32 -4.72 -0.02 0.00 -1.68 0.00 0.00 37.83 31.09 2x5h s LYS 27 CO 0.41 -1.56 0.40 0.42 -0.76 0.00 0.00 175.35 174.26 2x5h s ILE 28 N 1.41 5.13 0.11 2.17 1.01 -1.26 -5.03 121.20 124.74 2x5h s ILE 28 Ca 0.28 0.27 -0.33 0.00 0.00 0.00 0.00 60.65 60.87 2x5h s ILE 28 Cb -0.07 -3.82 -0.12 0.00 0.01 0.00 0.00 42.46 38.46 2x5h s ILE 28 CO -0.09 -0.05 1.76 1.17 0.00 0.00 0.00 174.94 177.73 2x5h n LYS 29 N 5.46 2.51 -0.08 2.79 4.81 -1.26 -2.62 118.16 129.77 2x5h n LYS 29 Ca -0.08 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 2x5h n LYS 29 Cb 0.50 -2.76 0.00 0.00 0.02 0.00 0.00 35.03 32.79 2x5h n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2x5h n GLY 30 N 4.00 0.65 3.76 3.14 0.00 -1.26 -5.06 105.19 110.43 2x5h n GLY 30 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.31 3.23 -0.06 -0.61 -1.09 -1.08 -4.96 121.20 114.33 2x5h s ILE 31 Ca 0.00 1.21 0.03 0.00 -2.23 0.00 0.00 60.65 59.65 2x5h s ILE 31 Cb 0.00 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 2x5h s ILE 31 CO 0.00 0.28 -0.02 0.29 -1.23 0.00 0.00 174.94 174.26 2x5h n LYS 32 N 1.23 1.75 0.00 2.79 5.02 -1.26 -5.00 118.16 122.69 2x5h n LYS 32 Ca -0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2x5h n LYS 32 Cb 0.44 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 2x5h n LYS 32 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2x5h n ARG 33 N -2.43 0.00 -3.38 1.97 0.63 -1.26 -4.92 116.66 107.27 2x5h n ARG 33 Ca -0.10 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.42 2x5h n ARG 33 Cb 0.65 -0.24 -0.09 0.00 0.45 0.00 0.00 32.46 33.23 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 -1.64 5.15 0.27 5.15 1.01 -1.26 0.67 121.20 130.55 2x5h s ILE 34 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.63 2x5h s ILE 34 Cb 0.00 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2x5h s ILE 34 CO 0.00 -0.19 0.16 0.68 0.00 0.00 0.00 174.94 175.59 2x5h s VAL 35 N 2.03 4.09 -0.19 2.92 -7.23 -0.11 -4.91 120.40 117.00 2x5h s VAL 35 Ca 0.11 -1.52 -0.05 0.00 -1.81 0.00 0.00 61.98 58.71 2x5h s VAL 35 Cb -0.17 -3.25 -0.03 0.00 0.56 0.00 0.00 36.38 33.50 2x5h s VAL 35 CO 0.12 -0.33 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.88 2x5h s VAL 36 N -2.20 3.98 -0.08 1.32 1.01 -1.26 -2.27 120.40 120.91 2x5h s VAL 36 Ca 0.33 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2x5h s VAL 36 Cb -0.07 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 2x5h s VAL 36 CO 0.24 0.45 -0.17 -1.58 0.00 0.00 0.00 175.10 174.04 2x5h s GLN 37 N 0.81 2.80 -0.15 2.72 0.74 0.11 -0.24 119.66 126.45 2x5h s GLN 37 Ca 0.00 -0.75 -0.06 0.00 0.05 0.00 0.00 55.36 54.60 2x5h s GLN 37 Cb -0.14 -2.40 -0.04 0.00 1.10 0.00 0.00 33.01 31.53 2x5h s GLN 37 CO 0.02 0.43 0.06 -1.17 -0.55 0.00 0.00 175.29 174.08 2x5h s LEU 38 N -0.23 3.85 -0.04 3.68 2.96 0.45 -1.04 118.68 128.31 2x5h s LEU 38 Ca 0.00 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.12 2x5h s LEU 38 Cb -0.13 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 2x5h s LEU 38 CO 0.03 0.25 -0.22 0.20 -1.32 0.00 0.00 176.35 175.29 2x5h s ASN 39 N -0.11 2.68 -0.21 3.68 0.01 0.15 -0.79 114.94 120.34 2x5h s ASN 39 Ca 0.07 -0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 51.76 2x5h s ASN 39 Cb -0.12 -0.58 0.00 0.00 0.41 0.00 0.00 41.25 40.97 2x5h s ASN 39 CO 0.01 0.23 -0.08 0.00 -1.51 0.00 0.00 177.10 175.75 2x5h s ALA 40 N -0.25 2.68 -0.20 0.60 0.00 0.80 -1.09 121.76 124.31 2x5h s ALA 40 Ca 0.01 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 2x5h s ALA 40 Cb -0.11 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 2x5h s ALA 40 CO 0.02 -0.46 -0.09 0.08 0.00 0.00 0.00 175.76 175.30 2x5h s VAL 41 N 1.41 3.00 0.16 0.00 1.01 0.16 -1.44 120.40 124.70 2x5h s VAL 41 Ca 0.05 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2x5h s VAL 41 Cb -0.14 -2.34 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 2x5h s VAL 41 CO -0.06 0.46 1.19 -2.16 0.00 0.00 0.00 175.10 174.53 2x5h s PRO 42 N 1.37 4.49 -0.35 2.72 0.04 -1.26 -0.68 135.00 141.33 2x5h s PRO 42 Ca 0.05 1.85 0.03 0.00 0.04 0.00 0.00 61.00 62.97 2x5h s PRO 42 Cb -0.14 -3.26 0.16 0.00 0.04 0.00 0.00 34.50 31.30 2x5h s PRO 42 CO -0.05 -0.10 0.42 -1.14 0.04 0.00 0.00 177.00 176.16 2x5h s GLN 43 N -0.03 0.60 -1.33 4.56 0.74 0.19 -4.92 119.66 119.48 2x5h s GLN 43 Ca 0.54 -0.51 -0.08 0.00 0.05 0.00 0.00 55.36 55.36 2x5h s GLN 43 Cb -0.32 -0.50 0.01 0.00 1.10 0.00 0.00 33.01 33.30 2x5h s GLN 43 CO 0.35 -1.15 1.07 -3.47 -0.55 0.00 0.00 175.29 171.54 2x5h n ASP 44 N 4.58 -6.19 0.00 6.67 4.64 -1.26 -1.86 116.55 123.13 2x5h n ASP 44 Ca 0.08 -0.49 0.00 0.00 -1.38 0.00 0.00 54.79 53.00 2x5h n ASP 44 Cb 0.48 -4.84 0.00 0.00 -1.04 0.00 0.00 41.12 35.72 2x5h n ASP 44 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2x5h n GLY 45 N -1.90 3.29 3.93 0.27 0.00 -1.26 -5.04 105.19 104.49 2x5h n GLY 45 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2x5h n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x5h s LYS 46 N -0.61 3.06 -0.17 1.61 1.02 -0.78 -5.10 119.74 118.77 2x5h s LYS 46 Ca 0.00 -0.23 -0.01 0.00 0.02 0.00 0.00 55.97 55.75 2x5h s LYS 46 Cb 0.00 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.87 2x5h s LYS 46 CO 0.00 -0.43 -0.11 0.42 -0.92 0.00 0.00 175.35 174.31 2x5h s ILE 47 N -2.74 3.02 0.03 2.17 -1.09 -1.26 0.55 121.20 121.88 2x5h s ILE 47 Ca 0.50 -0.65 0.05 0.00 -2.23 0.00 0.00 60.65 58.32 2x5h s ILE 47 Cb -0.10 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.44 2x5h s ILE 47 CO 0.41 0.49 -0.09 -0.60 -1.23 0.00 0.00 174.94 173.93 2x5h s ARG 48 N 0.84 2.40 0.04 2.79 3.52 0.15 -4.92 118.95 123.77 2x5h s ARG 48 Ca -0.04 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 54.78 2x5h s ARG 48 Cb -0.15 -2.42 -0.04 0.00 -1.56 0.00 0.00 34.95 30.78 2x5h s ARG 48 CO 0.00 0.57 -0.06 0.71 -0.81 0.00 0.00 175.30 175.72 2x5h s TYR 49 N -1.05 2.89 0.17 5.12 2.02 -1.26 0.37 117.35 125.62 2x5h s TYR 49 Ca 0.18 -0.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.80 2x5h s TYR 49 Cb -0.11 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 39.85 2x5h s TYR 49 CO 0.09 0.41 0.15 -1.54 -1.57 0.00 0.00 175.55 173.09 2x5h s SER 50 N -1.76 0.18 0.00 2.29 1.04 -0.25 -4.99 113.70 110.21 2x5h s SER 50 Ca 0.20 -1.23 0.04 0.00 0.48 0.00 0.00 55.95 55.44 2x5h s SER 50 Cb -0.11 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2x5h s SER 50 CO 0.11 -0.83 -0.13 -0.04 0.98 0.00 0.00 173.24 173.33 2x5h s MET 51 N -4.09 1.04 0.07 4.02 -1.94 -1.26 -0.68 119.30 116.46 2x5h s MET 51 Ca 0.30 -0.53 0.02 0.00 -1.71 0.00 0.00 55.69 53.76 2x5h s MET 51 Cb 0.06 -1.01 -0.03 0.00 2.01 0.00 0.00 34.83 35.86 2x5h s MET 51 CO 0.07 0.27 -0.06 0.95 -0.01 0.00 0.00 175.02 176.23 2x5h s THR 52 N -0.43 0.55 0.10 2.05 -4.23 -0.21 -0.85 115.64 112.63 2x5h s THR 52 Ca 0.04 -1.53 0.08 0.00 -1.18 0.00 0.00 61.69 59.10 2x5h s THR 52 Cb -0.06 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 2x5h s THR 52 CO -0.00 -0.67 -0.16 0.27 -0.54 0.00 0.00 174.62 173.51 2x5h s ILE 53 N -2.66 2.96 0.10 2.99 -4.36 0.29 -0.71 121.20 119.81 2x5h s ILE 53 Ca 0.01 -1.41 -0.26 0.00 -0.26 0.00 0.00 60.65 58.74 2x5h s ILE 53 Cb -0.01 -2.35 0.08 0.00 1.25 0.00 0.00 42.46 41.43 2x5h s ILE 53 CO -0.03 0.13 0.80 -1.38 0.24 0.00 0.00 174.94 174.70 2x5h s HIS 54 N -1.13 -0.35 0.61 1.37 -3.43 -0.96 -1.39 115.29 110.01 2x5h s HIS 54 Ca 0.18 0.14 -0.17 0.00 -0.80 0.00 0.00 55.06 54.41 2x5h s HIS 54 Cb -0.11 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 31.60 2x5h s HIS 54 CO 0.10 -0.75 1.14 -1.54 -2.00 0.00 0.00 174.74 171.69 2x5h s SER 55 N -2.68 5.28 0.27 7.38 1.04 -1.26 -0.94 113.70 122.80 2x5h s SER 55 Ca 0.06 2.14 -0.02 0.00 0.48 0.00 0.00 55.95 58.60 2x5h s SER 55 Cb -0.02 -2.57 0.42 0.00 0.10 0.00 0.00 66.02 63.95 2x5h s SER 55 CO -0.07 -1.52 1.90 1.56 0.98 0.00 0.00 173.24 176.09 2x5h h GLN 56 N 0.54 1.14 -0.65 4.02 1.08 -0.12 -3.15 115.11 117.98 2x5h h GLN 56 Ca -0.48 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.65 2x5h h GLN 56 Cb 1.26 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 2x5h h GLN 56 CO 0.55 0.75 0.00 0.09 -0.95 0.00 0.00 178.83 179.27 2x5h n ASN 57 N -4.48 4.82 -3.16 1.46 3.02 -1.26 -4.73 115.26 110.93 2x5h n ASN 57 Ca 0.15 -2.70 0.04 0.00 -0.03 0.00 0.00 54.58 52.04 2x5h n ASN 57 Cb 0.16 -0.63 -0.01 0.00 -0.61 0.00 0.00 39.78 38.68 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 -0.68 -0.99 0.16 6.41 3.84 -1.19 -5.05 114.94 117.44 2x5h s ASN 58 Ca 0.45 0.64 -0.11 0.00 0.21 0.00 0.00 52.86 54.05 2x5h s ASN 58 Cb 0.34 1.84 0.05 0.00 -0.55 0.00 0.00 41.25 42.92 2x5h s ASN 58 CO 0.15 -0.18 1.65 -0.26 -2.79 0.00 0.00 177.10 175.66 2x5h h PHE 59 N 7.99 1.00 0.00 0.43 0.04 -1.85 -3.35 116.94 121.20 2x5h h PHE 59 Ca -0.19 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.43 2x5h h PHE 59 Cb 1.16 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 39.04 2x5h h PHE 59 CO 0.09 0.88 -0.02 0.00 -0.60 0.00 0.00 178.31 178.66 2x5h h ARG 60 N 0.82 0.00 -4.81 1.51 3.08 -1.96 -3.37 114.38 109.66 2x5h h ARG 60 Ca 0.17 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.52 2x5h h ARG 60 Cb 0.43 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.29 2x5h h ARG 60 CO 0.01 0.02 0.48 0.15 -1.07 0.00 0.00 179.97 179.56 2x5h s LYS 61 N -3.52 3.37 0.28 0.04 -0.14 -1.26 -5.01 119.74 113.50 2x5h s LYS 61 Ca 0.03 -1.61 0.08 0.00 -1.36 0.00 0.00 55.97 53.11 2x5h s LYS 61 Cb 0.08 -4.56 -0.06 0.00 -1.68 0.00 0.00 37.83 31.62 2x5h s LYS 61 CO 0.59 -1.64 -0.11 -0.65 -0.76 0.00 0.00 175.35 172.78 2x5h s GLN 62 N 2.50 1.59 -0.08 1.68 -0.21 -1.26 -4.30 119.66 119.58 2x5h s GLN 62 Ca 0.23 -1.78 0.01 0.00 0.02 0.00 0.00 55.36 53.84 2x5h s GLN 62 Cb -0.13 -1.38 0.02 0.00 1.00 0.00 0.00 33.01 32.52 2x5h s GLN 62 CO -0.02 0.14 -0.09 0.42 -2.12 0.00 0.00 175.29 173.62 2x5h s ILE 63 N -2.82 1.00 0.26 1.08 1.01 -0.49 -4.97 121.20 116.27 2x5h s ILE 63 Ca 0.29 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 2x5h s ILE 63 Cb 0.01 -0.96 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 2x5h s ILE 63 CO 0.12 0.34 1.16 -0.83 0.00 0.00 0.00 174.94 175.73 2x5h s GLY 64 N 1.08 2.95 0.07 6.18 0.00 -1.26 -0.55 107.32 115.80 2x5h s GLY 64 Ca -0.07 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.62 2x5h s GLY 64 CO -0.01 1.66 -0.05 -0.26 0.00 0.00 0.00 173.10 174.44 2x5h s ILE 65 N -0.86 0.41 0.23 0.90 -4.36 -0.03 -4.93 121.20 112.56 2x5h s ILE 65 Ca 0.47 -1.81 0.02 0.00 -0.26 0.00 0.00 60.65 59.07 2x5h s ILE 65 Cb -0.33 -1.51 -0.05 0.00 1.25 0.00 0.00 42.46 41.81 2x5h s ILE 65 CO 0.42 -0.92 0.06 0.42 0.24 0.00 0.00 174.94 175.16 2x5h s THR 66 N -3.65 0.64 0.61 8.37 -4.23 -1.26 -4.05 115.64 112.08 2x5h s THR 66 Ca 0.08 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.89 2x5h s THR 66 Cb 0.06 -2.47 0.36 0.00 1.34 0.00 0.00 72.50 71.78 2x5h s THR 66 CO -0.07 -0.16 2.00 -0.65 -0.54 0.00 0.00 174.62 175.20 2x5h h PRO 67 N 2.47 0.00 0.00 3.99 0.11 -2.02 -1.41 132.00 135.15 2x5h h PRO 67 Ca -0.38 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 2x5h h PRO 67 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2x5h h PRO 67 CO 0.62 0.00 -0.01 1.96 -0.21 0.00 0.00 178.00 180.36 2x5h h GLN 68 N 0.00 0.00 0.00 1.05 7.50 -2.05 -2.69 115.11 118.92 2x5h h GLN 68 Ca 0.10 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.25 2x5h h GLN 68 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.27 2x5h h GLN 68 CO -0.00 0.01 0.00 -0.25 -1.50 0.00 0.00 178.83 177.09 2x5h n ASP 69 N -3.12 0.00 -0.31 1.46 8.00 -0.53 -4.10 116.55 117.95 2x5h n ASP 69 Ca -0.01 -0.36 0.05 0.00 0.71 0.00 0.00 54.79 55.17 2x5h n ASP 69 Cb 0.20 -0.21 0.19 0.00 -0.02 0.00 0.00 41.12 41.28 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 3.55 1.27 -0.54 2.24 0.00 -1.67 -2.17 119.26 121.93 2x5h h ALA 70 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2x5h h ALA 70 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2x5h h ALA 70 CO 0.00 0.09 0.07 1.49 0.00 0.00 0.00 179.25 180.90 2x5h h GLU 71 N 0.80 0.90 -0.72 0.00 4.57 -1.85 -2.17 114.58 116.11 2x5h h GLU 71 Ca 0.43 -0.25 0.03 0.00 -1.18 0.00 0.00 59.36 58.39 2x5h h GLU 71 Cb 0.45 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 2x5h h GLU 71 CO -0.27 0.88 0.46 -0.44 -1.18 0.00 0.00 179.01 178.46 2x5h h ASP 72 N 0.79 0.76 -0.71 1.04 5.19 -1.72 -0.45 116.42 121.31 2x5h h ASP 72 Ca 0.16 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 2x5h h ASP 72 Cb 0.43 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 2x5h h ASP 72 CO 0.01 0.53 0.27 -0.07 -3.12 0.00 0.00 179.24 176.86 2x5h h LEU 73 N 0.90 0.99 -0.69 1.55 3.38 -1.00 -0.35 115.31 120.08 2x5h h LEU 73 Ca 0.29 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2x5h h LEU 73 Cb -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2x5h h LEU 73 CO -0.10 0.90 -0.06 0.11 0.09 0.00 0.00 178.44 179.38 2x5h h LYS 74 N 1.02 0.95 -0.55 1.13 1.57 -1.07 -0.82 116.57 118.80 2x5h h LYS 74 Ca 0.23 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2x5h h LYS 74 Cb 0.23 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2x5h h LYS 74 CO -0.02 0.97 0.17 -0.07 -0.57 0.00 0.00 179.45 179.93 2x5h h LEU 75 N 0.86 0.81 -0.23 2.94 3.38 -0.67 -0.52 115.31 121.87 2x5h h LEU 75 Ca 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2x5h h LEU 75 Cb 0.59 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2x5h h LEU 75 CO 0.04 0.80 0.08 0.40 0.09 0.00 0.00 178.44 179.84 2x5h h ILE 76 N 0.77 1.19 -0.77 1.22 2.04 -0.90 -1.44 117.51 119.61 2x5h h ILE 76 Ca 0.18 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.53 2x5h h ILE 76 Cb 0.29 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 2x5h h ILE 76 CO -0.00 0.19 0.42 0.00 0.00 0.00 0.00 178.15 178.76 2x5h h ALA 77 N 0.90 1.09 -0.23 1.87 0.00 -1.03 -0.68 119.26 121.19 2x5h h ALA 77 Ca 0.08 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2x5h h ALA 77 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2x5h h ALA 77 CO -0.00 0.03 0.11 0.93 0.00 0.00 0.00 179.25 180.32 2x5h h GLU 78 N 0.71 0.24 -0.11 0.00 5.08 -0.84 -1.07 114.58 118.59 2x5h h GLU 78 Ca 0.38 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.74 2x5h h GLU 78 Cb 0.37 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2x5h h GLU 78 CO -0.26 0.16 0.01 0.35 -1.00 0.00 0.00 179.01 178.27 2x5h h PHE 79 N 0.25 0.02 -0.68 4.33 3.57 -0.90 0.11 116.94 123.64 2x5h h PHE 79 Ca 0.09 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.64 2x5h h PHE 79 Cb 0.02 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 2x5h h PHE 79 CO -0.09 0.00 0.41 -0.07 -2.23 0.00 0.00 178.31 176.33 2x5h h LEU 80 N 0.06 0.64 -0.24 0.59 3.38 -0.93 -1.87 115.31 116.93 2x5h h LEU 80 Ca 0.05 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2x5h h LEU 80 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2x5h h LEU 80 CO -0.07 0.43 -0.16 -0.33 0.09 0.00 0.00 178.44 178.41 2x5h h GLU 81 N 0.78 0.53 -0.51 1.13 5.08 -1.08 -0.47 114.58 120.04 2x5h h GLU 81 Ca 0.28 -0.25 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2x5h h GLU 81 Cb 0.09 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 2x5h h GLU 81 CO -0.14 0.81 0.10 -0.22 -1.00 0.00 0.00 179.01 178.57 2x5h h LYS 82 N 0.24 0.23 -0.41 2.33 3.64 -0.73 -2.89 116.57 118.97 2x5h h LYS 82 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2x5h h LYS 82 Cb 0.68 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2x5h h LYS 82 CO 0.04 0.15 0.00 0.66 -2.27 0.00 0.00 179.45 178.03 2x5h n TYR 83 N -5.12 1.24 -0.07 1.91 4.01 -0.73 -4.68 117.16 113.73 2x5h n TYR 83 Ca 0.06 -0.75 -0.07 0.00 -0.16 0.00 0.00 57.90 56.98 2x5h n TYR 83 Cb 0.25 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 38.96 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 2.74 -0.25 -0.68 7.72 4.64 -0.85 0.48 113.55 127.34 2x5h h SER 84 Ca 0.00 0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.46 2x5h h SER 84 Cb 1.48 0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 63.69 2x5h h SER 84 CO 0.26 -0.09 0.38 -0.78 -0.87 0.00 0.00 176.83 175.73 2x5h h ASP 85 N 0.00 0.58 0.02 4.97 1.82 -1.83 0.23 116.42 122.20 2x5h h ASP 85 Ca 0.13 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.80 2x5h h ASP 85 Cb 0.20 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.12 2x5h h ASP 85 CO -0.28 0.37 -0.01 0.15 -1.61 0.00 0.00 179.24 177.86 2x5h h PHE 86 N 0.71 -0.02 -0.70 0.28 3.57 -1.79 -3.35 116.94 115.65 2x5h h PHE 86 Ca 0.30 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 2x5h h PHE 86 Cb 0.17 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2x5h h PHE 86 CO -0.07 0.56 0.41 -0.07 -2.23 0.00 0.00 178.31 176.90 2x5h h LEU 87 N -0.61 0.83 -1.96 0.59 3.38 0.35 -2.65 115.31 115.23 2x5h h LEU 87 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2x5h h LEU 87 Cb 0.58 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2x5h h LEU 87 CO 0.00 0.65 0.00 0.78 0.09 0.00 0.00 178.44 179.96 2x5h h ASN 88 N 0.96 0.00 0.39 -0.43 2.35 -0.69 0.18 115.58 118.35 2x5h h ASN 88 Ca 0.25 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 2x5h h ASN 88 Cb -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2x5h h ASN 88 CO -0.05 0.00 -0.47 -0.08 -1.65 0.00 0.00 177.43 175.18 2x5h h GLU 89 N 0.00 0.10 0.00 0.81 4.81 -1.60 -3.40 114.58 115.29 2x5h h GLU 89 Ca 0.00 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 2x5h h GLU 89 Cb 0.31 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 2x5h h GLU 89 CO 0.00 0.55 -1.59 0.66 -0.73 0.00 0.00 179.01 177.90 2x5h n TYR 90 N -3.98 0.00 -2.81 0.92 4.02 -0.72 -5.03 117.16 109.57 2x5h n TYR 90 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 2x5h n TYR 90 Cb 0.50 -0.38 -0.03 0.00 -0.02 0.00 0.00 39.34 39.41 2x5h n TYR 90 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2x5h s VAL 91 N -2.19 4.87 0.11 -0.72 1.01 0.56 -5.02 120.40 119.03 2x5h s VAL 91 Ca -0.15 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.70 2x5h s VAL 91 Cb 0.05 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2x5h s VAL 91 CO 0.19 0.09 0.09 0.29 0.00 0.00 0.00 175.10 175.77 2x5h n LYS 92 N 4.59 0.16 0.00 2.72 5.02 -1.26 -4.75 118.16 124.64 2x5h n LYS 92 Ca 0.05 -1.12 0.00 0.00 -2.02 0.00 0.00 58.31 55.22 2x5h n LYS 92 Cb 0.50 0.91 0.00 0.00 -0.02 0.00 0.00 35.03 36.42 2x5h n LYS 92 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2x5h n PHE 93 N -0.22 0.00 0.75 2.13 3.72 -1.26 -5.25 117.46 117.34 2x5h n PHE 93 Ca 0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.51 2x5h n PHE 93 Cb 0.20 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.82 2x5h n PHE 93 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12