#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x5h h MET 1 N 0.00 0.93 -0.36 1.61 0.00 -2.05 -2.20 114.93 112.86 2x5h h MET 1 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 59.70 59.51 2x5h h MET 1 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 31.60 31.44 2x5h h MET 1 CO 0.00 0.88 0.09 0.00 0.00 0.00 0.00 176.91 177.88 2x5h h ALA 2 N 1.00 0.39 -0.40 6.32 0.00 -2.05 0.75 119.26 125.27 2x5h h ALA 2 Ca 0.17 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2x5h h ALA 2 Cb 0.40 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2x5h h ALA 2 CO 0.01 -0.31 0.07 0.77 0.00 0.00 0.00 179.25 179.79 2x5h h SER 3 N 0.22 0.64 -0.62 0.00 0.02 -1.99 -1.05 113.55 110.76 2x5h h SER 3 Ca 0.17 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2x5h h SER 3 Cb 0.18 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2x5h h SER 3 CO -0.21 0.73 0.39 0.25 -1.14 0.00 0.00 176.83 176.85 2x5h h LEU 4 N 0.52 0.72 -0.69 5.07 5.85 -0.87 -0.88 115.31 125.03 2x5h h LEU 4 Ca 0.12 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2x5h h LEU 4 Cb 0.36 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2x5h h LEU 4 CO 0.01 0.55 0.13 0.50 -0.34 0.00 0.00 178.44 179.28 2x5h h LYS 5 N 0.84 1.13 -0.87 1.25 3.64 0.60 -0.49 116.57 122.67 2x5h h LYS 5 Ca 0.22 -0.29 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2x5h h LYS 5 Cb -0.06 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.56 2x5h h LYS 5 CO -0.05 1.02 0.54 1.49 -2.27 0.00 0.00 179.45 180.18 2x5h h GLU 6 N 1.06 0.96 -0.05 1.90 4.57 -0.85 -1.08 114.58 121.09 2x5h h GLU 6 Ca 0.21 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 2x5h h GLU 6 Cb 0.42 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2x5h h GLU 6 CO 0.01 0.64 0.01 0.82 -1.18 0.00 0.00 179.01 179.31 2x5h h ILE 7 N 0.99 1.20 -0.46 2.32 2.04 -0.53 0.16 117.51 123.23 2x5h h ILE 7 Ca 0.38 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.64 2x5h h ILE 7 Cb 0.16 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2x5h h ILE 7 CO -0.17 0.17 0.27 0.40 0.00 0.00 0.00 178.15 178.82 2x5h h ILE 8 N -0.15 1.06 -0.25 -0.67 2.04 -0.70 0.12 117.51 118.96 2x5h h ILE 8 Ca 0.02 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2x5h h ILE 8 Cb 0.26 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2x5h h ILE 8 CO 0.00 0.10 0.03 0.44 0.00 0.00 0.00 178.15 178.73 2x5h h ASP 9 N 0.55 0.41 -0.18 1.72 3.32 -1.18 -1.17 116.42 119.89 2x5h h ASP 9 Ca 0.18 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2x5h h ASP 9 Cb 0.00 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2x5h h ASP 9 CO -0.08 0.57 0.08 -0.08 -1.72 0.00 0.00 179.24 178.02 2x5h h GLU 10 N 0.23 0.26 -0.68 3.56 4.22 -0.66 -0.68 114.58 120.83 2x5h h GLU 10 Ca 0.08 -0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.53 2x5h h GLU 10 Cb 0.34 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2x5h h GLU 10 CO 0.01 0.30 0.39 -0.07 -2.18 0.00 0.00 179.01 177.46 2x5h h LEU 11 N 0.16 0.59 -0.50 1.64 3.38 -0.78 0.31 115.31 120.11 2x5h h LEU 11 Ca 0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2x5h h LEU 11 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2x5h h LEU 11 CO -0.01 0.38 0.31 1.23 0.09 0.00 0.00 178.44 180.44 2x5h h GLY 12 N 0.72 0.72 0.97 0.83 0.00 -0.93 -0.82 103.07 104.57 2x5h h GLY 12 Ca 0.30 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2x5h h GLY 12 CO -0.17 0.29 0.22 1.70 0.00 0.00 0.00 176.54 178.58 2x5h h LYS 13 N 0.67 0.52 -0.09 4.80 3.64 -0.61 -2.18 116.57 123.31 2x5h h LYS 13 Ca 0.18 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2x5h h LYS 13 Cb -0.02 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.64 2x5h h LYS 13 CO -0.03 0.41 -0.22 1.96 -2.27 0.00 0.00 179.45 179.29 2x5h h GLN 14 N 0.49 -0.28 -0.71 1.90 4.20 -0.08 0.82 115.11 121.44 2x5h h GLN 14 Ca 0.13 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.88 2x5h h GLN 14 Cb 0.03 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 2x5h h GLN 14 CO -0.02 -0.19 0.46 0.00 -0.67 0.00 0.00 178.83 178.40 2x5h h ALA 15 N 0.66 0.91 0.25 3.87 0.00 -1.05 0.58 119.26 124.48 2x5h h ALA 15 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2x5h h ALA 15 Cb 0.42 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2x5h h ALA 15 CO -0.26 0.27 -0.12 -0.22 0.00 0.00 0.00 179.25 178.91 2x5h h LYS 16 N 0.91 -0.33 -0.66 0.00 3.64 -1.25 -0.91 116.57 117.97 2x5h h LYS 16 Ca 0.27 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 2x5h h LYS 16 Cb -0.04 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2x5h h LYS 16 CO -0.08 0.01 0.23 0.93 -2.27 0.00 0.00 179.45 178.26 2x5h h GLU 17 N -0.72 1.00 -0.29 1.90 5.08 -0.71 -3.15 114.58 117.69 2x5h h GLU 17 Ca -0.03 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2x5h h GLU 17 Cb 0.49 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2x5h h GLU 17 CO 0.06 0.84 0.00 1.04 -1.00 0.00 0.00 179.01 179.95 2x5h n GLN 18 N -4.28 2.20 -3.63 2.33 6.02 0.18 -5.00 117.38 115.20 2x5h n GLN 18 Ca 0.06 -2.04 -0.28 0.00 -0.01 0.00 0.00 57.00 54.73 2x5h n GLN 18 Cb 0.20 -1.42 0.04 0.00 1.02 0.00 0.00 30.24 30.08 2x5h n GLN 18 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2x5h n ASN 19 N 1.20 -5.03 -3.49 1.08 3.02 -0.39 -4.97 115.26 106.69 2x5h n ASN 19 Ca 0.16 -0.96 -0.11 0.00 -0.03 0.00 0.00 54.58 53.64 2x5h n ASN 19 Cb 0.53 -3.70 -0.02 0.00 -0.61 0.00 0.00 39.78 35.98 2x5h n ASN 19 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2x5h s LYS 20 N -5.76 1.25 -0.01 3.52 -2.85 -0.96 -5.07 119.74 109.86 2x5h s LYS 20 Ca 0.42 -0.50 -0.30 0.00 -1.00 0.00 0.00 55.97 54.59 2x5h s LYS 20 Cb -0.13 0.55 -0.06 0.00 -2.06 0.00 0.00 37.83 36.13 2x5h s LYS 20 CO 0.84 -0.55 1.53 0.42 0.10 0.00 0.00 175.35 177.69 2x5h s ILE 21 N -3.65 3.56 -0.05 3.79 1.01 -1.26 -4.28 121.20 120.32 2x5h s ILE 21 Ca 0.03 0.87 0.02 0.00 0.00 0.00 0.00 60.65 61.56 2x5h s ILE 21 Cb -0.01 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 2x5h s ILE 21 CO -0.10 -0.03 -0.09 0.00 0.00 0.00 0.00 174.94 174.72 2x5h s ALA 22 N 3.04 2.92 0.07 9.38 0.00 -0.67 -4.95 121.76 131.54 2x5h s ALA 22 Ca 0.68 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.74 2x5h s ALA 22 Cb -0.33 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 2x5h s ALA 22 CO 0.28 0.58 -0.09 -1.12 0.00 0.00 0.00 175.76 175.41 2x5h s SER 23 N -0.90 1.15 -0.06 0.00 0.01 -1.26 -0.08 113.70 112.55 2x5h s SER 23 Ca 0.13 -0.74 -0.04 0.00 1.31 0.00 0.00 55.95 56.61 2x5h s SER 23 Cb -0.11 0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.19 2x5h s SER 23 CO 0.02 -0.27 0.15 -0.60 0.41 0.00 0.00 173.24 172.95 2x5h s ARG 24 N -2.47 0.13 0.11 12.44 6.06 -0.15 -4.99 118.95 130.09 2x5h s ARG 24 Ca 0.00 0.30 -0.30 0.00 -2.50 0.00 0.00 55.73 53.23 2x5h s ARG 24 Cb -0.04 -0.06 -0.06 0.00 0.06 0.00 0.00 34.95 34.85 2x5h s ARG 24 CO -0.01 -0.10 1.03 0.42 -2.50 0.00 0.00 175.30 174.14 2x5h s ILE 25 N 0.68 4.32 0.37 4.11 1.01 -1.26 -0.78 121.20 129.65 2x5h s ILE 25 Ca -0.05 1.87 -0.26 0.00 0.00 0.00 0.00 60.65 62.21 2x5h s ILE 25 Cb -0.07 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.12 2x5h s ILE 25 CO -0.03 0.26 1.09 -0.04 0.00 0.00 0.00 174.94 176.21 2x5h s MET 26 N 0.18 4.25 -0.62 2.79 -1.94 0.35 -4.95 119.30 119.37 2x5h s MET 26 Ca 0.50 1.65 -0.17 0.00 -1.71 0.00 0.00 55.69 55.96 2x5h s MET 26 Cb -0.25 -2.73 0.14 0.00 2.01 0.00 0.00 34.83 34.00 2x5h s MET 26 CO 0.31 -0.09 0.64 0.15 -0.01 0.00 0.00 175.02 176.02 2x5h s LYS 27 N -2.20 3.14 -0.27 2.03 -0.14 -1.26 -4.68 119.74 116.36 2x5h s LYS 27 Ca 0.54 -1.71 -0.03 0.00 -1.36 0.00 0.00 55.97 53.42 2x5h s LYS 27 Cb -0.26 -4.34 0.03 0.00 -1.68 0.00 0.00 37.83 31.58 2x5h s LYS 27 CO 0.33 -1.42 -0.02 0.42 -0.76 0.00 0.00 175.35 173.90 2x5h s ILE 28 N 1.78 3.09 0.30 2.17 1.01 -1.26 -5.07 121.20 123.21 2x5h s ILE 28 Ca 0.10 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 2x5h s ILE 28 Cb -0.24 -2.61 -0.11 0.00 0.01 0.00 0.00 42.46 39.51 2x5h s ILE 28 CO 0.02 0.12 1.52 -0.75 0.00 0.00 0.00 174.94 175.85 2x5h s LYS 29 N 1.34 4.17 0.00 2.79 2.20 -1.26 -2.81 119.74 126.17 2x5h s LYS 29 Ca -0.00 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 2x5h s LYS 29 Cb -0.17 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 2x5h s LYS 29 CO -0.03 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 2x5h n GLY 30 N 1.83 0.79 3.73 5.54 0.00 -1.26 -5.04 105.19 110.77 2x5h n GLY 30 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.41 3.77 -0.19 -0.61 -1.09 -1.12 -4.94 121.20 114.60 2x5h s ILE 31 Ca 0.00 1.39 0.08 0.00 -2.23 0.00 0.00 60.65 59.90 2x5h s ILE 31 Cb 0.00 -3.89 -0.17 0.00 -1.58 0.00 0.00 42.46 36.82 2x5h s ILE 31 CO 0.00 0.18 -0.07 0.29 -1.23 0.00 0.00 174.94 174.11 2x5h n LYS 32 N 3.07 0.90 0.00 2.79 5.02 -1.26 -4.97 118.16 123.72 2x5h n LYS 32 Ca 0.06 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2x5h n LYS 32 Cb 0.45 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.87 0.00 -3.24 1.97 0.63 -1.26 -5.00 116.66 106.88 2x5h n ARG 33 Ca -0.33 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.19 2x5h n ARG 33 Cb 0.97 -0.16 -0.08 0.00 0.45 0.00 0.00 32.46 33.65 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 -1.62 5.01 0.20 5.15 1.01 -1.26 -0.42 121.20 129.27 2x5h s ILE 34 Ca 0.00 0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.98 2x5h s ILE 34 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2x5h s ILE 34 CO 0.00 -0.25 0.15 0.68 0.00 0.00 0.00 174.94 175.52 2x5h s VAL 35 N 2.39 4.38 -0.15 2.92 -7.23 0.50 -4.90 120.40 118.32 2x5h s VAL 35 Ca 0.18 -1.26 -0.05 0.00 -1.81 0.00 0.00 61.98 59.04 2x5h s VAL 35 Cb -0.15 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.46 2x5h s VAL 35 CO 0.14 -0.21 0.02 -0.69 -0.31 0.00 0.00 175.10 174.04 2x5h s VAL 36 N -1.92 4.43 -0.05 1.32 1.01 -1.26 -1.24 120.40 122.69 2x5h s VAL 36 Ca 0.31 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.18 2x5h s VAL 36 Cb -0.09 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2x5h s VAL 36 CO 0.24 0.51 -0.23 -1.58 0.00 0.00 0.00 175.10 174.04 2x5h s GLN 37 N -0.01 2.35 -0.16 2.72 0.74 0.70 -0.50 119.66 125.50 2x5h s GLN 37 Ca 0.04 -0.82 -0.08 0.00 0.05 0.00 0.00 55.36 54.54 2x5h s GLN 37 Cb -0.13 -2.00 -0.04 0.00 1.10 0.00 0.00 33.01 31.94 2x5h s GLN 37 CO 0.02 0.34 0.13 -1.17 -0.55 0.00 0.00 175.29 174.06 2x5h s LEU 38 N -0.10 4.28 -0.07 3.68 2.96 0.04 -1.08 118.68 128.39 2x5h s LEU 38 Ca -0.04 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.25 2x5h s LEU 38 Cb -0.13 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.48 2x5h s LEU 38 CO 0.03 0.29 -0.21 0.20 -1.32 0.00 0.00 176.35 175.35 2x5h s ASN 39 N -0.30 2.66 -0.27 3.68 0.01 0.38 -0.98 114.94 120.12 2x5h s ASN 39 Ca 0.11 -0.46 -0.10 0.00 -0.71 0.00 0.00 52.86 51.70 2x5h s ASN 39 Cb -0.11 -1.02 -0.04 0.00 0.41 0.00 0.00 41.25 40.48 2x5h s ASN 39 CO 0.01 0.15 0.15 0.00 -1.51 0.00 0.00 177.10 175.90 2x5h s ALA 40 N 0.24 3.38 -0.25 0.60 0.00 0.88 -1.46 121.76 125.15 2x5h s ALA 40 Ca -0.12 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.71 2x5h s ALA 40 Cb -0.15 -2.33 0.04 0.00 0.00 0.00 0.00 23.12 20.68 2x5h s ALA 40 CO 0.06 -0.56 -0.09 0.08 0.00 0.00 0.00 175.76 175.24 2x5h s VAL 41 N 1.70 2.48 0.12 0.00 1.01 0.11 -1.68 120.40 124.15 2x5h s VAL 41 Ca 0.07 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.43 2x5h s VAL 41 Cb -0.16 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 2x5h s VAL 41 CO 0.08 0.11 1.10 -2.16 0.00 0.00 0.00 175.10 174.23 2x5h s PRO 42 N 1.22 4.56 -0.20 2.72 0.05 -1.26 -1.32 135.00 140.77 2x5h s PRO 42 Ca -0.04 1.68 -0.04 0.00 0.05 0.00 0.00 61.00 62.65 2x5h s PRO 42 Cb -0.18 -3.32 0.09 0.00 0.05 0.00 0.00 34.50 31.14 2x5h s PRO 42 CO -0.05 -0.01 0.19 -0.65 0.05 0.00 0.00 177.00 176.53 2x5h s GLN 43 N 0.15 0.17 -1.33 4.56 -0.21 0.92 -4.94 119.66 118.99 2x5h s GLN 43 Ca 0.52 0.10 -0.05 0.00 0.02 0.00 0.00 55.36 55.95 2x5h s GLN 43 Cb -0.28 -1.32 0.02 0.00 1.00 0.00 0.00 33.01 32.43 2x5h s GLN 43 CO 0.32 -0.69 0.95 -0.25 -2.12 0.00 0.00 175.29 173.50 2x5h n ASP 44 N 5.31 -3.24 0.00 5.90 9.92 -1.26 -2.12 116.55 131.06 2x5h n ASP 44 Ca -0.06 -0.69 0.00 0.00 -0.53 0.00 0.00 54.79 53.51 2x5h n ASP 44 Cb 0.49 -4.56 0.00 0.00 -0.64 0.00 0.00 41.12 36.41 2x5h n ASP 44 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2x5h n GLY 45 N -1.56 0.98 3.24 0.44 0.00 -1.26 -5.03 105.19 102.00 2x5h n GLY 45 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.33 1.01 -0.20 1.61 1.02 -0.90 -5.14 119.74 116.81 2x5h s LYS 46 Ca 0.00 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 54.66 2x5h s LYS 46 Cb 0.00 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.34 2x5h s LYS 46 CO 0.00 0.18 0.18 0.42 -0.92 0.00 0.00 175.35 175.22 2x5h s ILE 47 N -2.03 5.36 0.30 2.17 -1.09 -1.26 -0.05 121.20 124.60 2x5h s ILE 47 Ca 0.08 0.28 0.10 0.00 -2.23 0.00 0.00 60.65 58.88 2x5h s ILE 47 Cb -0.05 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 2x5h s ILE 47 CO 0.03 0.39 -0.02 -0.13 -1.23 0.00 0.00 174.94 173.98 2x5h s ARG 48 N 0.64 2.11 0.05 2.79 1.81 -0.43 -4.93 118.95 121.00 2x5h s ARG 48 Ca 0.10 -1.62 0.07 0.00 -1.72 0.00 0.00 55.73 52.57 2x5h s ARG 48 Cb -0.12 -2.00 -0.03 0.00 -0.45 0.00 0.00 34.95 32.35 2x5h s ARG 48 CO 0.01 0.25 -0.21 0.71 -0.68 0.00 0.00 175.30 175.39 2x5h s TYR 49 N -2.44 1.79 0.23 -0.53 2.02 -1.26 0.10 117.35 117.25 2x5h s TYR 49 Ca 0.33 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 2x5h s TYR 49 Cb -0.03 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.42 2x5h s TYR 49 CO 0.19 0.11 0.04 -1.54 -1.57 0.00 0.00 175.55 172.78 2x5h s SER 50 N -1.32 1.42 0.00 2.29 1.04 -0.53 -4.99 113.70 111.61 2x5h s SER 50 Ca 0.07 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.25 2x5h s SER 50 Cb -0.09 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 2x5h s SER 50 CO 0.02 -0.61 -0.06 -0.04 0.98 0.00 0.00 173.24 173.52 2x5h s MET 51 N -3.94 0.50 0.05 4.02 -1.94 -1.25 -0.47 119.30 116.26 2x5h s MET 51 Ca 0.31 -0.31 0.02 0.00 -1.71 0.00 0.00 55.69 53.99 2x5h s MET 51 Cb 0.07 -0.45 -0.03 0.00 2.01 0.00 0.00 34.83 36.43 2x5h s MET 51 CO 0.09 0.12 -0.08 0.95 -0.01 0.00 0.00 175.02 176.09 2x5h s THR 52 N -0.36 0.55 0.03 2.05 -4.23 -0.24 -0.14 115.64 113.31 2x5h s THR 52 Ca 0.00 -1.15 0.04 0.00 -1.18 0.00 0.00 61.69 59.40 2x5h s THR 52 Cb -0.04 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 2x5h s THR 52 CO -0.00 -0.43 -0.06 0.27 -0.54 0.00 0.00 174.62 173.87 2x5h s ILE 53 N -1.58 3.70 0.23 2.99 -4.36 -0.46 -0.21 121.20 121.51 2x5h s ILE 53 Ca -0.08 -0.86 -0.17 0.00 -0.26 0.00 0.00 60.65 59.29 2x5h s ILE 53 Cb -0.09 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 40.99 2x5h s ILE 53 CO -0.00 0.32 0.54 -1.38 0.24 0.00 0.00 174.94 174.66 2x5h s HIS 54 N -1.08 0.02 0.13 1.37 -3.43 -0.37 -1.41 115.29 110.53 2x5h s HIS 54 Ca 0.19 -0.40 -0.31 0.00 -0.80 0.00 0.00 55.06 53.75 2x5h s HIS 54 Cb -0.11 0.38 -0.08 0.00 -1.43 0.00 0.00 32.58 31.34 2x5h s HIS 54 CO 0.10 -1.00 1.34 0.45 -2.00 0.00 0.00 174.74 173.63 2x5h s SER 55 N -2.93 6.88 0.50 7.38 0.15 -0.95 -0.37 113.70 124.36 2x5h s SER 55 Ca 0.14 2.31 0.24 0.00 0.70 0.00 0.00 55.95 59.33 2x5h s SER 55 Cb -0.02 -2.59 1.34 0.00 -1.71 0.00 0.00 66.02 63.04 2x5h s SER 55 CO 0.03 -0.59 2.05 -0.61 1.20 0.00 0.00 173.24 175.32 2x5h h GLN 56 N 6.39 0.00 0.00 5.44 4.15 -1.11 -2.55 115.11 127.43 2x5h h GLN 56 Ca -0.43 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 58.91 2x5h h GLN 56 Cb 1.21 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 2x5h h GLN 56 CO 0.83 0.14 -0.41 -0.91 -1.93 0.00 0.00 178.83 176.55 2x5h h ASN 57 N 0.00 0.00 -1.57 -0.69 2.35 -1.91 -3.42 115.58 110.33 2x5h h ASN 57 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2x5h h ASN 57 Cb 0.34 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 38.44 2x5h h ASN 57 CO 0.02 0.41 -0.48 0.21 -1.65 0.00 0.00 177.43 175.94 2x5h s ASN 58 N -6.40 -0.10 0.58 5.81 3.84 -0.97 -5.04 114.94 112.66 2x5h s ASN 58 Ca 0.02 -0.08 0.34 0.00 0.21 0.00 0.00 52.86 53.35 2x5h s ASN 58 Cb 0.09 1.34 1.75 0.00 -0.55 0.00 0.00 41.25 43.89 2x5h s ASN 58 CO 0.70 -0.33 2.16 -0.26 -2.79 0.00 0.00 177.10 176.58 2x5h h PHE 59 N 8.13 0.00 0.00 0.43 -1.00 -1.82 -2.06 116.94 120.62 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 1.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.70 2x5h h PHE 59 CO 0.23 0.05 0.00 0.00 -1.61 0.00 0.00 178.31 176.98 2x5h h ARG 60 N 0.00 0.00 -5.79 1.51 3.08 -1.96 -3.39 114.38 107.83 2x5h h ARG 60 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2x5h h ARG 60 Cb 0.25 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.18 2x5h h ARG 60 CO 0.01 0.00 0.89 0.15 -1.07 0.00 0.00 179.97 179.94 2x5h s LYS 61 N -3.44 3.27 0.13 0.04 -0.14 -0.77 -4.96 119.74 113.86 2x5h s LYS 61 Ca 0.04 -0.79 -0.16 0.00 -1.36 0.00 0.00 55.97 53.69 2x5h s LYS 61 Cb 0.08 -4.46 0.04 0.00 -1.68 0.00 0.00 37.83 31.81 2x5h s LYS 61 CO 0.55 -1.98 0.41 1.14 -0.76 0.00 0.00 175.35 174.72 2x5h s GLN 62 N 4.58 1.08 -0.06 1.68 -2.07 -1.26 -2.24 119.66 121.38 2x5h s GLN 62 Ca 0.31 -0.70 -0.03 0.00 -1.82 0.00 0.00 55.36 53.11 2x5h s GLN 62 Cb -0.10 0.47 0.03 0.00 -1.09 0.00 0.00 33.01 32.32 2x5h s GLN 62 CO 0.06 -0.43 0.14 0.42 -1.32 0.00 0.00 175.29 174.17 2x5h s ILE 63 N -3.80 -0.03 0.28 3.63 1.01 -0.50 -4.98 121.20 116.80 2x5h s ILE 63 Ca 0.03 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 2x5h s ILE 63 Cb 0.02 -0.22 -0.10 0.00 0.01 0.00 0.00 42.46 42.17 2x5h s ILE 63 CO -0.12 0.05 1.24 -0.83 0.00 0.00 0.00 174.94 175.28 2x5h s GLY 64 N 0.82 2.87 0.12 6.18 0.00 -1.26 -1.35 107.32 114.71 2x5h s GLY 64 Ca -0.06 1.10 -0.00 0.00 0.00 0.00 0.00 44.72 45.76 2x5h s GLY 64 CO -0.04 1.83 0.02 -0.26 0.00 0.00 0.00 173.10 174.64 2x5h s ILE 65 N -0.79 0.32 0.21 0.90 -4.36 0.80 -4.92 121.20 113.36 2x5h s ILE 65 Ca 0.50 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 2x5h s ILE 65 Cb -0.36 -1.94 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 2x5h s ILE 65 CO 0.45 -0.60 0.05 0.42 0.24 0.00 0.00 174.94 175.50 2x5h s THR 66 N -3.89 0.57 0.62 8.37 -4.23 -1.26 -3.93 115.64 111.88 2x5h s THR 66 Ca 0.20 -1.99 0.31 0.00 -1.18 0.00 0.00 61.69 59.03 2x5h s THR 66 Cb 0.07 -2.37 0.35 0.00 1.34 0.00 0.00 72.50 71.90 2x5h s THR 66 CO -0.00 -0.24 2.02 -0.65 -0.54 0.00 0.00 174.62 175.21 2x5h h PRO 67 N 2.56 0.00 0.00 3.99 0.11 -2.02 -0.67 132.00 135.96 2x5h h PRO 67 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 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 0.61 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.44 2x5h n GLN 68 N -3.42 0.06 0.00 1.05 3.00 -1.26 -2.46 117.38 114.35 2x5h n GLN 68 Ca 0.02 0.35 0.15 0.00 -0.01 0.00 0.00 57.00 57.50 2x5h n GLN 68 Cb 0.40 -1.63 0.71 0.00 0.00 0.00 0.00 30.24 29.71 2x5h n GLN 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2x5h n ASP 69 N -1.76 0.45 -0.20 1.08 8.00 -0.26 -4.31 116.55 119.56 2x5h n ASP 69 Ca 0.02 -0.80 0.01 0.00 0.71 0.00 0.00 54.79 54.73 2x5h n ASP 69 Cb 0.16 -0.06 0.11 0.00 -0.02 0.00 0.00 41.12 41.30 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 3.82 0.70 -0.35 2.24 0.00 -1.68 -2.00 119.26 121.99 2x5h h ALA 70 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2x5h h ALA 70 Cb 0.27 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2x5h h ALA 70 CO 0.00 -0.31 0.22 1.49 0.00 0.00 0.00 179.25 180.65 2x5h h GLU 71 N 0.25 0.47 -0.58 0.00 4.57 -1.86 -1.33 114.58 116.10 2x5h h GLU 71 Ca 0.31 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.51 2x5h h GLU 71 Cb 0.46 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.90 2x5h h GLU 71 CO -0.40 0.34 0.30 -0.44 -1.18 0.00 0.00 179.01 177.63 2x5h h ASP 72 N 0.46 0.43 -0.88 1.04 5.19 -1.75 -0.54 116.42 120.37 2x5h h ASP 72 Ca 0.13 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 2x5h h ASP 72 Cb -0.01 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.41 2x5h h ASP 72 CO -0.03 0.29 0.49 -0.07 -3.12 0.00 0.00 179.24 176.80 2x5h h LEU 73 N 0.57 1.09 -0.66 1.55 3.38 -0.79 -0.55 115.31 119.90 2x5h h LEU 73 Ca 0.26 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2x5h h LEU 73 Cb 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2x5h h LEU 73 CO -0.18 0.87 -0.32 0.11 0.09 0.00 0.00 178.44 179.01 2x5h h LYS 74 N 1.23 0.69 -0.68 1.13 1.57 -0.79 -1.21 116.57 118.51 2x5h h LYS 74 Ca 0.31 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2x5h h LYS 74 Cb 0.01 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2x5h h LYS 74 CO -0.05 0.92 0.13 -0.07 -0.57 0.00 0.00 179.45 179.80 2x5h h LEU 75 N 0.59 1.06 -0.32 2.94 3.38 -0.70 -0.95 115.31 121.30 2x5h h LEU 75 Ca 0.07 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2x5h h LEU 75 Cb 0.83 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2x5h h LEU 75 CO 0.07 1.04 -0.00 0.40 0.09 0.00 0.00 178.44 180.04 2x5h h ILE 76 N 1.04 1.26 -0.99 1.22 2.04 -0.92 -0.97 117.51 120.19 2x5h h ILE 76 Ca 0.21 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.13 2x5h h ILE 76 Cb 0.42 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 2x5h h ILE 76 CO 0.01 0.31 0.65 0.00 0.00 0.00 0.00 178.15 179.13 2x5h h ALA 77 N 0.85 1.32 -0.23 1.87 0.00 -1.09 -0.33 119.26 121.65 2x5h h ALA 77 Ca 0.09 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2x5h h ALA 77 Cb 0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2x5h h ALA 77 CO 0.02 0.61 -0.41 0.93 0.00 0.00 0.00 179.25 180.39 2x5h h GLU 78 N 1.31 0.56 -0.37 0.00 5.08 -0.96 -0.57 114.58 119.63 2x5h h GLU 78 Ca 0.38 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2x5h h GLU 78 Cb -0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2x5h h GLU 78 CO -0.10 0.88 0.16 0.35 -1.00 0.00 0.00 179.01 179.30 2x5h h PHE 79 N 0.46 0.55 -0.71 4.33 3.57 -0.76 -1.87 116.94 122.50 2x5h h PHE 79 Ca 0.04 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2x5h h PHE 79 Cb 0.92 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2x5h h PHE 79 CO 0.04 0.49 0.31 -0.07 -2.23 0.00 0.00 178.31 176.85 2x5h h LEU 80 N 0.45 0.94 -0.16 0.59 3.38 -0.66 -2.04 115.31 117.81 2x5h h LEU 80 Ca 0.12 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2x5h h LEU 80 Cb 0.16 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2x5h h LEU 80 CO -0.01 0.81 -0.26 -0.33 0.09 0.00 0.00 178.44 178.74 2x5h h GLU 81 N 1.02 0.46 -0.73 1.13 5.08 -1.08 -1.14 114.58 119.32 2x5h h GLU 81 Ca 0.24 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2x5h h GLU 81 Cb 0.15 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2x5h h GLU 81 CO -0.03 0.88 0.46 -0.22 -1.00 0.00 0.00 179.01 179.10 2x5h h LYS 82 N 0.10 0.85 -0.44 2.33 3.64 -1.10 -2.87 116.57 119.09 2x5h h LYS 82 Ca 0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2x5h h LYS 82 Cb 0.84 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2x5h h LYS 82 CO 0.06 0.56 0.00 0.66 -2.27 0.00 0.00 179.45 178.46 2x5h n TYR 83 N -4.66 1.09 -0.06 1.91 4.01 -0.79 -4.75 117.16 113.92 2x5h n TYR 83 Ca 0.09 -0.68 -0.09 0.00 -0.16 0.00 0.00 57.90 57.06 2x5h n TYR 83 Cb 0.11 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 2x5h n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2x5h h SER 84 N 2.80 -1.03 -0.33 7.72 0.87 -0.96 0.65 113.55 123.28 2x5h h SER 84 Ca 0.00 0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 2x5h h SER 84 Cb 1.31 0.46 -0.03 0.00 -0.44 0.00 0.00 62.40 63.69 2x5h h SER 84 CO 0.19 -0.34 0.12 -0.78 -0.53 0.00 0.00 176.83 175.49 2x5h h ASP 85 N -0.32 0.14 -0.10 6.23 3.58 -1.85 -0.05 116.42 124.04 2x5h h ASP 85 Ca 0.13 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.59 2x5h h ASP 85 Cb 0.54 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 2x5h h ASP 85 CO -0.44 0.11 -0.06 0.15 -2.88 0.00 0.00 179.24 176.13 2x5h h PHE 86 N 0.26 0.24 -0.91 0.28 3.57 -1.86 -3.18 116.94 115.35 2x5h h PHE 86 Ca 0.15 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.61 2x5h h PHE 86 Cb 0.11 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2x5h h PHE 86 CO -0.13 0.58 0.60 -0.07 -2.23 0.00 0.00 178.31 177.05 2x5h h LEU 87 N -0.16 0.99 -2.51 0.59 3.38 -0.60 -1.67 115.31 115.34 2x5h h LEU 87 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2x5h h LEU 87 Cb 0.52 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2x5h h LEU 87 CO 0.02 0.69 -0.02 0.78 0.09 0.00 0.00 178.44 180.00 2x5h h ASN 88 N 1.16 0.00 0.54 -0.43 2.35 -0.99 0.12 115.58 118.33 2x5h h ASN 88 Ca 0.36 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.07 2x5h h ASN 88 Cb -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 2x5h h ASN 88 CO -0.10 0.02 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.21 2x5h h GLU 89 N 0.00 0.00 0.00 0.81 5.08 -1.32 -3.36 114.58 115.80 2x5h h GLU 89 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2x5h h GLU 89 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2x5h h GLU 89 CO 0.00 0.16 -1.48 0.66 -1.00 0.00 0.00 179.01 177.36 2x5h n TYR 90 N -3.57 0.00 0.39 4.33 4.02 -0.18 -5.16 117.16 117.00 2x5h n TYR 90 Ca -0.01 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.93 2x5h n TYR 90 Cb 0.31 -0.33 0.04 0.00 -0.02 0.00 0.00 39.34 39.34 2x5h n TYR 90 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13