#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8y s ALA 2 N 0.00 3.71 -0.00 4.61 0.00 -1.26 -4.95 121.76 123.87 2k8y s ALA 2 Ca 0.00 -2.79 -0.02 0.00 0.00 0.00 0.00 51.96 49.15 2k8y s ALA 2 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 2k8y s ALA 2 CO 0.00 -2.34 0.55 0.52 0.00 0.00 0.00 175.76 174.50 2k8y h MET 3 N 8.54 -0.06 -5.89 0.00 2.07 -2.02 -3.49 114.93 114.07 2k8y h MET 3 Ca -0.08 0.00 -0.27 0.00 -2.07 0.00 0.00 59.70 57.28 2k8y h MET 3 Cb 1.06 0.01 0.07 0.00 -1.87 0.00 0.00 31.60 30.87 2k8y h MET 3 CO 0.96 -0.04 -0.65 -0.25 1.07 0.00 0.00 176.91 177.99 2k8y n ASP 4 N -2.30 -6.30 0.04 1.22 9.92 -1.26 -4.96 116.55 112.91 2k8y n ASP 4 Ca -0.01 -0.65 -0.13 0.00 -0.53 0.00 0.00 54.79 53.47 2k8y n ASP 4 Cb 0.03 -4.06 -0.08 0.00 -0.64 0.00 0.00 41.12 36.36 2k8y n ASP 4 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2k8y h PRO 5 N -0.73 -0.06 0.00 -0.24 0.13 -1.95 -3.45 132.00 125.70 2k8y h PRO 5 Ca -0.44 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.43 2k8y h PRO 5 Cb 1.24 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.41 2k8y h PRO 5 CO 0.40 0.15 -0.00 -1.33 -0.23 0.00 0.00 178.00 176.98 2k8y n MET 6 N -5.02 0.59 -3.23 0.86 2.81 -1.26 -5.07 117.12 106.79 2k8y n MET 6 Ca -0.08 -1.69 -0.45 0.00 -1.81 0.00 0.00 57.70 53.67 2k8y n MET 6 Cb 0.14 -0.21 -0.06 0.00 -0.71 0.00 0.00 33.22 32.37 2k8y n MET 6 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2k8y s ILE 7 N -1.23 5.02 -0.24 2.02 1.01 -0.10 -4.98 121.20 122.70 2k8y s ILE 7 Ca 0.35 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 2k8y s ILE 7 Cb -0.03 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 2k8y s ILE 7 CO 0.23 -0.84 0.11 -0.63 0.00 0.00 0.00 174.94 173.81 2k8y s ILE 8 N 2.19 4.80 0.05 2.92 1.09 -1.26 -1.35 121.20 129.65 2k8y s ILE 8 Ca 0.09 -0.01 0.07 0.00 -1.10 0.00 0.00 60.65 59.70 2k8y s ILE 8 Cb -0.24 -3.24 -0.03 0.00 -1.06 0.00 0.00 42.46 37.89 2k8y s ILE 8 CO 0.07 0.34 -0.21 -0.13 -0.10 0.00 0.00 174.94 174.92 2k8y s ARG 9 N 1.33 1.34 -0.10 2.79 1.81 0.06 -4.98 118.95 121.19 2k8y s ARG 9 Ca 0.06 -0.99 -0.04 0.00 -1.72 0.00 0.00 55.73 53.05 2k8y s ARG 9 Cb -0.15 -1.49 -0.04 0.00 -0.45 0.00 0.00 34.95 32.83 2k8y s ARG 9 CO 0.05 0.37 0.05 0.20 -0.68 0.00 0.00 175.30 175.29 2k8y s GLY 10 N -1.32 1.94 -0.11 -3.53 0.00 -1.26 -1.98 107.32 101.06 2k8y s GLY 10 Ca 0.07 -0.75 -0.17 0.00 0.00 0.00 0.00 44.72 43.87 2k8y s GLY 10 CO 0.02 -0.47 0.43 -1.50 0.00 0.00 0.00 173.10 171.59 2k8y s ILE 11 N -0.83 0.02 0.01 0.90 2.07 -1.20 -1.20 121.20 120.96 2k8y s ILE 11 Ca 0.13 -0.14 0.07 0.00 -1.41 0.00 0.00 60.65 59.30 2k8y s ILE 11 Cb -0.12 -0.67 -0.03 0.00 0.13 0.00 0.00 42.46 41.78 2k8y s ILE 11 CO 0.03 -0.08 -0.20 0.00 -1.91 0.00 0.00 174.94 172.78 2k8y s ARG 12 N -0.38 2.16 -0.04 3.50 1.70 -0.14 -2.43 118.95 123.32 2k8y s ARG 12 Ca -0.05 -0.91 0.00 0.00 -0.47 0.00 0.00 55.73 54.30 2k8y s ARG 12 Cb -0.03 -2.18 0.00 0.00 -0.57 0.00 0.00 34.95 32.16 2k8y s ARG 12 CO 0.03 0.56 0.00 0.41 -1.08 0.00 0.00 175.30 175.22 2k8y n GLY 13 N 1.95 0.45 3.55 3.88 0.00 -0.17 -1.28 105.19 113.58 2k8y n GLY 13 Ca -0.16 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2k8y n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8y s ALA 14 N -1.90 1.99 -0.58 4.61 0.00 -0.77 -4.41 121.76 120.70 2k8y s ALA 14 Ca 0.00 -1.12 -0.27 0.00 0.00 0.00 0.00 51.96 50.57 2k8y s ALA 14 Cb 0.00 -4.42 -0.01 0.00 0.00 0.00 0.00 23.12 18.68 2k8y s ALA 14 CO 0.00 -4.27 1.78 1.03 0.00 0.00 0.00 175.76 174.30 2k8y s ARG 15 N 6.90 2.80 -0.04 0.00 0.52 0.20 -2.18 118.95 127.14 2k8y s ARG 15 Ca 0.66 0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 56.22 2k8y s ARG 15 Cb -0.09 -4.33 -0.06 0.00 0.52 0.00 0.00 34.95 30.99 2k8y s ARG 15 CO 0.10 -2.52 1.61 0.42 0.02 0.00 0.00 175.30 174.93 2k8y s ILE 16 N 8.35 3.56 0.25 1.52 -1.09 -1.26 -4.29 121.20 128.24 2k8y s ILE 16 Ca 0.65 0.75 0.09 0.00 -2.23 0.00 0.00 60.65 59.92 2k8y s ILE 16 Cb -0.13 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 2k8y s ILE 16 CO 0.22 -0.05 0.01 0.54 -1.23 0.00 0.00 174.94 174.43 2k8y s ASN 17 N 3.02 4.63 0.31 3.58 6.03 -1.26 -4.86 114.94 126.40 2k8y s ASN 17 Ca 0.72 -0.59 0.26 0.00 -1.03 0.00 0.00 52.86 52.21 2k8y s ASN 17 Cb -0.33 -0.90 0.78 0.00 -3.03 0.00 0.00 41.25 37.77 2k8y s ASN 17 CO 0.29 0.01 1.75 -0.55 -2.03 0.00 0.00 177.10 176.56 2k8y h ASN 18 N 1.96 0.00 0.63 3.54 -1.07 -2.00 -3.35 115.58 115.28 2k8y h ASN 18 Ca -0.45 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 55.78 2k8y h ASN 18 Cb 1.24 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.47 2k8y h ASN 18 CO 0.60 0.00 -0.65 -0.33 0.07 0.00 0.00 177.43 177.12 2k8y h GLU 19 N 0.00 0.01 0.00 4.14 5.08 -2.01 -2.77 114.58 119.04 2k8y h GLU 19 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k8y h GLU 19 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k8y h GLU 19 CO 0.00 0.66 0.00 0.44 -1.00 0.00 0.00 179.01 179.11 2k8y n ILE 20 N -3.77 1.48 1.53 3.13 -5.35 -1.26 -2.09 119.36 113.03 2k8y n ILE 20 Ca -0.01 0.61 0.14 0.00 -0.27 0.00 0.00 62.75 63.21 2k8y n ILE 20 Cb 0.64 -1.60 0.55 0.00 -1.74 0.00 0.00 39.64 37.50 2k8y n ILE 20 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2k8y n PHE 21 N -1.89 0.01 0.14 4.28 3.01 -1.04 -4.08 117.46 117.89 2k8y n PHE 21 Ca -0.01 -0.01 0.03 0.00 1.01 0.00 0.00 57.45 58.48 2k8y n PHE 21 Cb 0.03 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.55 2k8y n PHE 21 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 2k8y h ASN 22 N 2.15 0.00 1.07 4.37 7.08 -1.63 -3.28 115.58 125.35 2k8y h ASN 22 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k8y h ASN 22 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.70 2k8y h ASN 22 CO 0.00 0.49 -0.37 0.00 -2.08 0.00 0.00 177.43 175.47 2k8y n LEU 23 N -3.25 0.71 -0.92 6.14 -0.00 -1.26 -4.95 117.00 113.48 2k8y n LEU 23 Ca 0.02 0.35 -0.10 0.00 -0.00 0.00 0.00 56.01 56.28 2k8y n LEU 23 Cb 0.72 -0.25 -0.04 0.00 -0.00 0.00 0.00 43.42 43.85 2k8y n LEU 23 CO 0.40 -0.09 -0.09 0.61 -0.00 0.00 0.00 177.39 178.22 2k8y n GLY 24 N 1.34 0.93 3.74 1.47 0.00 -1.24 -4.95 105.19 106.47 2k8y n GLY 24 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2k8y n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k8y s LEU 25 N -2.56 1.63 -1.22 0.99 1.43 -1.26 -4.91 118.68 112.78 2k8y s LEU 25 Ca 0.00 0.66 -0.20 0.00 -1.03 0.00 0.00 54.13 53.56 2k8y s LEU 25 Cb 0.00 -2.67 0.01 0.00 0.03 0.00 0.00 46.19 43.56 2k8y s LEU 25 CO 0.00 -3.27 1.80 -0.54 0.23 0.00 0.00 176.35 174.56 2k8y s LYS 26 N -5.47 3.37 0.01 1.70 1.02 -1.26 -4.89 119.74 114.23 2k8y s LYS 26 Ca 0.69 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 55.11 2k8y s LYS 26 Cb -0.10 -5.40 -0.01 0.00 -0.52 0.00 0.00 37.83 31.79 2k8y s LYS 26 CO 0.55 -2.92 -0.02 -0.59 -0.92 0.00 0.00 175.35 171.45 2k8y s PHE 27 N 6.95 0.19 -0.04 3.18 -0.71 -1.26 -2.65 117.98 123.65 2k8y s PHE 27 Ca 0.59 -0.32 -0.02 0.00 -1.04 0.00 0.00 56.93 56.14 2k8y s PHE 27 Cb 0.02 -0.13 0.02 0.00 -1.21 0.00 0.00 43.02 41.71 2k8y s PHE 27 CO 0.08 -0.11 0.09 -1.14 -1.34 0.00 0.00 175.22 172.80 2k8y s GLN 28 N -0.88 0.07 -0.07 1.99 -0.44 -0.54 -4.99 119.66 114.80 2k8y s GLN 28 Ca -0.09 0.17 0.02 0.00 -2.50 0.00 0.00 55.36 52.96 2k8y s GLN 28 Cb -0.06 -0.04 0.01 0.00 -1.64 0.00 0.00 33.01 31.28 2k8y s GLN 28 CO -0.01 -0.06 -0.14 0.42 0.50 0.00 0.00 175.29 176.00 2k8y s ILE 29 N 0.41 1.29 0.30 -2.34 1.01 -1.26 -0.71 121.20 119.90 2k8y s ILE 29 Ca -0.03 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.08 2k8y s ILE 29 Cb -0.04 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 2k8y s ILE 29 CO -0.02 0.39 0.09 -1.48 0.00 0.00 0.00 174.94 173.92 2k8y s LEU 30 N 0.63 1.91 -0.27 2.97 -0.00 -0.78 -3.82 118.68 119.31 2k8y s LEU 30 Ca -0.15 -1.42 -0.29 0.00 -0.00 0.00 0.00 54.13 52.27 2k8y s LEU 30 Cb -0.16 -0.15 0.00 0.00 -0.00 0.00 0.00 46.19 45.88 2k8y s LEU 30 CO 0.04 -0.71 1.26 0.21 -0.00 0.00 0.00 176.35 177.15 2k8y s ASN 31 N -3.42 6.77 0.00 1.48 3.84 -0.32 -0.93 114.94 122.36 2k8y s ASN 31 Ca 0.36 1.29 0.22 0.00 0.21 0.00 0.00 52.86 54.94 2k8y s ASN 31 Cb 0.08 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 39.07 2k8y s ASN 31 CO 0.15 -0.98 1.60 0.00 -2.79 0.00 0.00 177.10 175.08 2k8y n ALA 32 N 7.28 2.54 0.09 1.71 0.00 -0.90 -3.41 120.51 127.81 2k8y n ALA 32 Ca 0.14 -0.49 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 2k8y n ALA 32 Cb 0.46 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 2k8y n ALA 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2k8y h ASP 33 N 2.13 0.51 -0.40 0.00 3.32 -1.89 -3.32 116.42 116.75 2k8y h ASP 33 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2k8y h ASP 33 Cb 0.46 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2k8y h ASP 33 CO 0.00 1.32 0.00 1.33 -1.72 0.00 0.00 179.24 180.17 2k8y n VAL 34 N -3.65 0.52 -3.33 -1.35 0.24 -1.22 -4.47 118.33 105.07 2k8y n VAL 34 Ca -0.08 -0.71 -0.38 0.00 -2.04 0.00 0.00 64.34 61.12 2k8y n VAL 34 Cb 0.94 0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 34.05 2k8y n VAL 34 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2k8y s VAL 35 N -1.48 4.85 -0.00 3.34 0.11 -1.22 -4.89 120.40 121.11 2k8y s VAL 35 Ca 0.39 1.10 -0.00 0.00 -2.93 0.00 0.00 61.98 60.54 2k8y s VAL 35 Cb 0.22 -3.85 -0.00 0.00 -1.53 0.00 0.00 36.38 31.22 2k8y s VAL 35 CO 0.31 0.54 0.17 0.00 -3.33 0.00 0.00 175.10 172.78 2k8y h ALA 36 N 4.77 -0.16 -2.44 1.54 0.00 -1.90 -3.47 119.26 117.60 2k8y h ALA 36 Ca -0.49 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.04 2k8y h ALA 36 Cb 1.21 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 2k8y h ALA 36 CO 0.64 -0.16 -0.58 0.95 0.00 0.00 0.00 179.25 180.10 2k8y s THR 37 N -1.38 0.29 0.58 0.00 -4.23 -1.26 -2.88 115.64 106.76 2k8y s THR 37 Ca -0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 2k8y s THR 37 Cb 0.00 -2.54 0.39 0.00 1.34 0.00 0.00 72.50 71.69 2k8y s THR 37 CO 0.01 0.00 1.90 0.07 -0.54 0.00 0.00 174.62 176.06 2k8y h LYS 38 N 2.33 0.00 -0.67 3.99 -0.00 -1.82 -1.32 116.57 119.08 2k8y h LYS 38 Ca -0.34 0.00 0.14 0.00 -0.00 0.00 0.00 60.65 60.45 2k8y h LYS 38 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.44 2k8y h LYS 38 CO 0.53 0.00 0.45 -0.22 -0.00 0.00 0.00 179.45 180.22 2k8y h LYS 39 N 0.00 0.29 -0.17 0.07 1.63 -1.96 -0.86 116.57 115.57 2k8y h LYS 39 Ca 0.23 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 2k8y h LYS 39 Cb 1.20 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 2k8y h LYS 39 CO -0.00 0.19 0.02 1.25 -3.45 0.00 0.00 179.45 177.46 2k8y h HIS 40 N 0.30 0.30 0.06 1.91 2.76 -1.58 -2.53 115.15 116.36 2k8y h HIS 40 Ca 0.32 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.45 2k8y h HIS 40 Cb 0.85 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2k8y h HIS 40 CO -0.00 0.46 -0.03 0.28 -1.30 0.00 0.00 177.93 177.34 2k8y h VAL 41 N 0.06 1.17 -0.43 5.26 2.07 -1.51 -3.19 116.25 119.69 2k8y h VAL 41 Ca 0.05 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2k8y h VAL 41 Cb 0.32 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2k8y h VAL 41 CO 0.00 0.20 0.21 0.17 0.02 0.00 0.00 177.57 178.17 2k8y h LEU 42 N -0.44 0.52 -0.70 2.57 8.10 -1.26 -0.56 115.31 123.54 2k8y h LEU 42 Ca -0.01 -0.04 0.08 0.00 0.11 0.00 0.00 57.88 58.03 2k8y h LEU 42 Cb 0.39 -0.13 -0.07 0.00 -0.44 0.00 0.00 40.66 40.41 2k8y h LEU 42 CO 0.01 0.45 0.36 -0.74 -4.11 0.00 0.00 178.44 174.42 2k8y h HIS 43 N 0.59 0.65 -0.42 0.17 2.76 -1.51 -0.55 115.15 116.85 2k8y h HIS 43 Ca 0.15 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.20 2k8y h HIS 43 Cb 0.06 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 2k8y h HIS 43 CO 0.00 0.26 -0.33 0.00 -1.30 0.00 0.00 177.93 176.56 2k8y h ALA 44 N 1.41 0.63 0.26 5.26 0.00 -1.12 -2.74 119.26 122.96 2k8y h ALA 44 Ca 0.34 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k8y h ALA 44 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k8y h ALA 44 CO -0.25 0.68 -0.12 0.82 0.00 0.00 0.00 179.25 180.38 2k8y h ILE 45 N 0.79 0.80 -0.79 0.00 2.04 -1.09 0.51 117.51 119.77 2k8y h ILE 45 Ca 0.08 -0.48 0.17 0.00 1.00 0.00 0.00 64.86 65.64 2k8y h ILE 45 Cb 0.92 1.06 -0.11 0.00 -0.74 0.00 0.00 36.82 37.94 2k8y h ILE 45 CO 0.09 0.10 0.26 0.78 0.00 0.00 0.00 178.15 179.37 2k8y h ASN 46 N -0.60 0.15 0.54 1.72 2.35 -1.15 0.91 115.58 119.50 2k8y h ASN 46 Ca -0.04 0.14 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 2k8y h ASN 46 Cb 0.43 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 2k8y h ASN 46 CO 0.06 -0.00 -0.69 1.56 -1.65 0.00 0.00 177.43 176.71 2k8y h GLN 47 N 0.34 0.13 0.00 0.81 1.08 -1.46 -2.74 115.11 113.26 2k8y h GLN 47 Ca 0.45 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.53 2k8y h GLN 47 Cb 0.79 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.24 2k8y h GLN 47 CO -0.50 0.77 -0.08 0.00 -0.95 0.00 0.00 178.83 178.07 2k8y h ALA 48 N 1.20 0.98 0.03 3.87 0.00 0.52 -1.11 119.26 124.75 2k8y h ALA 48 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2k8y h ALA 48 Cb 1.23 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2k8y h ALA 48 CO 0.10 0.11 -0.24 0.87 0.00 0.00 0.00 179.25 180.09 2k8y h LYS 49 N 0.00 0.12 0.00 0.00 1.57 -0.70 -3.40 116.57 114.16 2k8y h LYS 49 Ca -0.00 -0.16 -0.26 0.00 -1.87 0.00 0.00 60.65 58.36 2k8y h LYS 49 Cb 0.76 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 2k8y h LYS 49 CO 0.01 1.00 -1.56 0.00 -0.57 0.00 0.00 179.45 178.33 2k8y h THR 50 N -0.69 0.86 -2.86 -0.16 1.03 -1.54 -3.47 112.91 106.08 2k8y h THR 50 Ca -0.04 -2.63 -0.62 0.00 -0.01 0.00 0.00 66.41 63.12 2k8y h THR 50 Cb 1.10 2.39 -0.13 0.00 -1.07 0.00 0.00 68.15 70.44 2k8y h THR 50 CO 0.05 0.49 -0.71 -0.54 -0.01 0.00 0.00 175.52 174.79 2k8y s LYS 51 N -2.68 2.08 -0.40 0.00 1.02 -0.42 -5.09 119.74 114.26 2k8y s LYS 51 Ca -0.04 -1.31 0.07 0.00 0.02 0.00 0.00 55.97 54.71 2k8y s LYS 51 Cb 0.08 -2.14 0.22 0.00 -0.52 0.00 0.00 37.83 35.47 2k8y s LYS 51 CO 0.82 0.42 0.46 1.63 -0.92 0.00 0.00 175.35 177.77 2k8y n LYS 52 N -0.11 0.54 0.00 1.68 5.02 -1.26 -4.51 118.16 119.52 2k8y n LYS 52 Ca -0.10 -3.20 0.00 0.00 -2.02 0.00 0.00 58.31 52.99 2k8y n LYS 52 Cb 0.56 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 2k8y n LYS 52 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2k8y n PRO 53 N 1.86 0.00 0.00 1.97 -0.04 -1.26 -4.86 135.00 132.67 2k8y n PRO 53 Ca 0.24 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2k8y n PRO 53 Cb 0.51 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 2k8y n PRO 53 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2k8y n ILE 54 N -0.83 0.00 -1.00 0.52 5.41 -1.26 -5.12 119.36 117.08 2k8y n ILE 54 Ca 0.00 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.46 2k8y n ILE 54 Cb 0.00 -0.17 0.22 0.00 -0.71 0.00 0.00 39.64 38.99 2k8y n ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k8y s ALA 55 N -1.18 0.47 -0.06 -1.39 0.00 -1.26 -5.01 121.76 113.33 2k8y s ALA 55 Ca 0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 2k8y s ALA 55 Cb 0.00 -3.01 -0.17 0.00 0.00 0.00 0.00 23.12 19.94 2k8y s ALA 55 CO 0.00 -3.45 0.86 0.87 0.00 0.00 0.00 175.76 174.04 2k8y h LYS 56 N -2.42 -0.15 0.00 0.00 1.79 -1.91 -3.48 116.57 110.39 2k8y h LYS 56 Ca -0.50 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 57.96 2k8y h LYS 56 Cb 1.32 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 32.00 2k8y h LYS 56 CO 0.44 0.34 0.03 0.45 -1.08 0.00 0.00 179.45 179.63 2k8y n SER 57 N -4.87 -0.36 0.23 0.86 2.88 -1.26 -5.03 113.62 106.07 2k8y n SER 57 Ca -0.08 -1.30 -0.16 0.00 -1.33 0.00 0.00 58.87 56.00 2k8y n SER 57 Cb 0.28 0.62 -0.09 0.00 -0.75 0.00 0.00 64.21 64.26 2k8y n SER 57 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2k8y h PHE 58 N 1.18 -1.33 0.00 0.66 3.57 -1.96 0.24 116.94 119.30 2k8y h PHE 58 Ca -0.06 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 2k8y h PHE 58 Cb 0.22 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2k8y h PHE 58 CO 0.00 -0.60 -0.23 -1.49 -2.23 0.00 0.00 178.31 173.76 2k8y h TRP 59 N -0.87 0.00 0.00 0.41 4.06 -1.97 -1.62 115.95 115.96 2k8y h TRP 59 Ca -0.04 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.77 2k8y h TRP 59 Cb 0.78 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.92 2k8y h TRP 59 CO -0.29 0.23 -0.64 0.52 -3.56 0.00 0.00 178.44 174.69 2k8y h MET 60 N 0.00 0.00 -0.04 0.49 2.86 -1.91 -3.11 114.93 113.22 2k8y h MET 60 Ca -0.00 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.45 2k8y h MET 60 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2k8y h MET 60 CO 0.03 0.64 -0.79 1.49 1.06 0.00 0.00 176.91 179.34 2k8y h GLU 61 N 0.00 0.31 -0.21 1.72 4.57 0.39 -3.13 114.58 118.22 2k8y h GLU 61 Ca -0.01 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 57.87 2k8y h GLU 61 Cb 1.36 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.01 2k8y h GLU 61 CO 0.08 0.95 0.06 0.82 -1.18 0.00 0.00 179.01 179.75 2k8y h ILE 62 N 0.20 1.20 -0.16 2.32 2.04 -1.32 -0.94 117.51 120.84 2k8y h ILE 62 Ca -0.04 -0.65 -0.10 0.00 1.00 0.00 0.00 64.86 65.07 2k8y h ILE 62 Cb 1.38 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2k8y h ILE 62 CO 0.13 0.20 -0.35 0.17 0.00 0.00 0.00 178.15 178.30 2k8y h LEU 63 N 0.17 0.35 0.08 1.44 8.10 -1.61 -1.88 115.31 121.95 2k8y h LEU 63 Ca 0.07 -0.14 -0.28 0.00 0.11 0.00 0.00 57.88 57.65 2k8y h LEU 63 Cb 0.26 -0.10 0.03 0.00 -0.44 0.00 0.00 40.66 40.41 2k8y h LEU 63 CO -0.00 0.68 -1.12 -0.37 -4.11 0.00 0.00 178.44 173.52 2k8y h VAL 64 N 0.29 1.30 -0.10 0.15 -1.51 -1.54 -3.33 116.25 111.51 2k8y h VAL 64 Ca 0.03 -2.37 -0.12 0.00 -1.23 0.00 0.00 66.70 63.02 2k8y h VAL 64 Cb 0.76 2.61 -0.01 0.00 -2.13 0.00 0.00 31.29 32.52 2k8y h VAL 64 CO 0.06 0.72 -0.48 -0.09 -1.23 0.00 0.00 177.57 176.55 2k8y h ARG 65 N 0.26 0.25 -0.05 5.19 9.65 -0.92 0.17 114.38 128.94 2k8y h ARG 65 Ca -0.16 -0.13 -0.08 0.00 -1.10 0.00 0.00 59.98 58.50 2k8y h ARG 65 Cb 1.80 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.37 2k8y h ARG 65 CO 0.22 0.67 -0.36 0.00 2.80 0.00 0.00 179.97 183.30 2k8y h ALA 66 N 1.31 1.31 -0.55 2.80 0.00 -1.51 -3.15 119.26 119.47 2k8y h ALA 66 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k8y h ALA 66 Cb 0.92 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k8y h ALA 66 CO 0.07 0.49 0.00 -1.13 0.00 0.00 0.00 179.25 178.69 2k8y n SER 67 N -4.09 3.49 -1.64 0.00 3.41 -0.78 -4.94 113.62 109.07 2k8y n SER 67 Ca -0.02 -1.99 -0.18 0.00 -0.26 0.00 0.00 58.87 56.43 2k8y n SER 67 Cb 0.42 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 2k8y n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k8y n GLY 68 N 1.20 0.98 0.00 5.00 0.00 -0.53 -4.98 105.19 106.86 2k8y n GLY 68 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2k8y n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k8y n GLN 69 N -2.57 1.50 0.00 1.61 1.13 0.50 -4.88 117.38 114.66 2k8y n GLN 69 Ca -0.19 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 2k8y n GLN 69 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.97 2k8y n GLN 69 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2k8y n ARG 70 N -0.32 0.00 -3.69 -1.09 0.00 -1.26 -4.63 116.66 105.67 2k8y n ARG 70 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.48 2k8y n ARG 70 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.35 2k8y n ARG 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2k8y s GLN 71 N -0.85 3.90 0.23 2.89 -0.21 -1.26 -4.25 119.66 120.11 2k8y s GLN 71 Ca 0.00 -0.35 -0.07 0.00 0.02 0.00 0.00 55.36 54.95 2k8y s GLN 71 Cb 0.00 -3.50 0.37 0.00 1.00 0.00 0.00 33.01 30.88 2k8y s GLN 71 CO 0.00 -0.09 1.71 0.82 -2.12 0.00 0.00 175.29 175.61 2k8y h ILE 72 N 5.30 0.63 -0.59 1.08 5.03 -1.98 -2.58 117.51 124.41 2k8y h ILE 72 Ca -0.37 -0.11 -0.09 0.00 -0.12 0.00 0.00 64.86 64.17 2k8y h ILE 72 Cb 1.18 0.27 -0.02 0.00 -3.03 0.00 0.00 36.82 35.22 2k8y h ILE 72 CO 0.59 0.06 0.01 -0.74 -0.68 0.00 0.00 178.15 177.39 2k8y h HIS 73 N 0.33 1.12 -0.37 1.37 2.76 -1.99 -1.40 115.15 116.96 2k8y h HIS 73 Ca 0.36 -0.19 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 2k8y h HIS 73 Cb 0.56 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 2k8y h HIS 73 CO -0.22 0.99 0.14 0.93 -1.30 0.00 0.00 177.93 178.48 2k8y h GLU 74 N 0.92 0.30 -0.56 5.26 4.39 -1.93 -1.38 114.58 121.57 2k8y h GLU 74 Ca 0.17 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.86 2k8y h GLU 74 Cb 0.54 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2k8y h GLU 74 CO 0.03 0.20 0.37 0.00 -1.16 0.00 0.00 179.01 178.44 2k8y h ALA 75 N 1.23 1.62 0.00 3.43 0.00 -1.07 -2.01 119.26 122.46 2k8y h ALA 75 Ca 0.17 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2k8y h ALA 75 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2k8y h ALA 75 CO -0.16 0.35 -0.57 0.82 0.00 0.00 0.00 179.25 179.69 2k8y h ILE 76 N 0.74 1.40 0.40 0.00 2.04 -0.84 -0.27 117.51 120.99 2k8y h ILE 76 Ca 0.21 -1.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.09 2k8y h ILE 76 Cb -0.06 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2k8y h ILE 76 CO -0.05 0.56 -0.19 0.11 0.00 0.00 0.00 178.15 178.58 2k8y h LYS 77 N 0.00 -0.52 0.14 2.37 1.79 -0.63 -2.68 116.57 117.04 2k8y h LYS 77 Ca -0.01 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2k8y h LYS 77 Cb 1.01 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2k8y h LYS 77 CO 0.07 -0.25 -0.07 0.82 -1.08 0.00 0.00 179.45 178.95 2k8y h ILE 78 N -0.73 0.00 -0.56 1.86 2.04 -1.37 -3.39 117.51 115.36 2k8y h ILE 78 Ca -0.06 -0.27 -0.33 0.00 1.00 0.00 0.00 64.86 65.20 2k8y h ILE 78 Cb 0.51 0.00 -0.20 0.00 -0.74 0.00 0.00 36.82 36.39 2k8y h ILE 78 CO 0.09 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.54 2k8y n ILE 79 N -3.27 2.76 -1.29 -0.67 -5.35 -0.12 -4.93 119.36 106.49 2k8y n ILE 79 Ca -0.02 -2.91 -0.31 0.00 -0.27 0.00 0.00 62.75 59.23 2k8y n ILE 79 Cb 0.07 -0.56 0.09 0.00 -1.74 0.00 0.00 39.64 37.51 2k8y n ILE 79 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k8y s GLY 80 N -2.48 1.73 -0.69 3.28 0.00 -1.01 -1.17 107.32 106.97 2k8y s GLY 80 Ca 0.49 0.31 -0.26 0.00 0.00 0.00 0.00 44.72 45.26 2k8y s GLY 80 CO 0.01 0.66 1.66 0.00 0.00 0.00 0.00 173.10 175.43 2k8y s ALA 81 N -2.84 2.35 0.15 3.20 0.00 -1.25 -3.14 121.76 120.23 2k8y s ALA 81 Ca 0.62 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.64 2k8y s ALA 81 Cb -0.18 -4.31 -0.04 0.00 0.00 0.00 0.00 23.12 18.59 2k8y s ALA 81 CO 0.55 -3.75 0.01 0.15 0.00 0.00 0.00 175.76 172.72 2k8y s LYS 82 N 6.53 2.47 0.64 0.00 1.02 -1.26 -4.92 119.74 124.22 2k8y s LYS 82 Ca 0.56 -1.01 -0.18 0.00 0.02 0.00 0.00 55.97 55.36 2k8y s LYS 82 Cb -0.10 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 2k8y s LYS 82 CO 0.16 0.48 1.25 0.16 -0.92 0.00 0.00 175.35 176.49 2k8y s ASP 83 N -2.75 4.72 0.00 2.83 1.47 -1.26 -4.57 116.67 117.12 2k8y s ASP 83 Ca 0.27 2.51 0.00 0.00 1.18 0.00 0.00 52.55 56.50 2k8y s ASP 83 Cb -0.10 -2.61 0.00 0.00 -0.34 0.00 0.00 42.92 39.87 2k8y s ASP 83 CO 0.19 -1.92 0.00 0.61 0.68 0.00 0.00 175.17 174.73 2k8y n GLY 84 N 0.69 0.63 3.54 2.12 0.00 -0.93 -4.89 105.19 106.35 2k8y n GLY 84 Ca 0.15 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 2k8y n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k8y s ASN 85 N -4.00 6.34 0.06 1.61 0.02 -1.26 -1.00 114.94 116.71 2k8y s ASN 85 Ca 0.00 -0.28 0.03 0.00 -1.02 0.00 0.00 52.86 51.60 2k8y s ASN 85 Cb 0.00 -2.49 -0.03 0.00 0.02 0.00 0.00 41.25 38.76 2k8y s ASN 85 CO 0.00 -1.40 -0.10 0.54 0.02 0.00 0.00 177.10 176.16 2k8y s VAL 86 N 4.49 0.76 -0.24 1.60 0.11 -1.02 -2.11 120.40 123.99 2k8y s VAL 86 Ca 0.34 -1.28 -0.05 0.00 -2.93 0.00 0.00 61.98 58.06 2k8y s VAL 86 Cb -0.11 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 2k8y s VAL 86 CO 0.20 -0.40 0.01 0.00 -3.33 0.00 0.00 175.10 171.58 2k8y s LEU 88 N 1.51 3.29 -0.11 0.00 2.96 -0.84 -1.87 118.68 123.63 2k8y s LEU 88 Ca 0.05 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 2k8y s LEU 88 Cb -0.15 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2k8y s LEU 88 CO -0.00 -0.01 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.38 2k8y s ILE 89 N 1.46 4.26 0.00 6.68 1.01 0.11 -0.76 121.20 133.96 2k8y s ILE 89 Ca 0.05 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 2k8y s ILE 89 Cb -0.15 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.54 2k8y s ILE 89 CO 0.02 0.57 0.40 0.00 0.00 0.00 0.00 174.94 175.93 2k8y h GLU 91 N 3.41 0.08 -5.28 0.00 5.08 -1.81 -0.22 114.58 115.84 2k8y h GLU 91 Ca -0.30 -0.14 -0.65 0.00 -1.00 0.00 0.00 59.36 57.27 2k8y h GLU 91 Cb 1.18 0.05 -0.25 0.00 0.50 0.00 0.00 28.75 30.23 2k8y h GLU 91 CO 0.41 0.82 -0.73 -0.51 -1.00 0.00 0.00 179.01 178.00 2k8y s ASP 92 N -6.53 4.28 0.56 1.42 1.01 -1.26 -4.80 116.67 111.36 2k8y s ASP 92 Ca -0.06 -0.27 0.34 0.00 0.71 0.00 0.00 52.55 53.26 2k8y s ASP 92 Cb 0.08 -1.68 1.54 0.00 1.01 0.00 0.00 42.92 43.87 2k8y s ASP 92 CO 0.83 0.15 2.06 -0.08 0.21 0.00 0.00 175.17 178.33 2k8y h GLU 93 N 6.85 0.00 -0.40 8.23 4.81 -1.97 -2.14 114.58 129.96 2k8y h GLU 93 Ca -0.29 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.78 2k8y h GLU 93 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2k8y h GLU 93 CO 0.58 0.05 -0.37 1.05 -0.73 0.00 0.00 179.01 179.59 2k8y h GLU 94 N 0.00 0.95 -0.66 1.92 4.11 -2.01 -2.70 114.58 116.19 2k8y h GLU 94 Ca -0.00 -0.49 -0.05 0.00 0.07 0.00 0.00 59.36 58.89 2k8y h GLU 94 Cb 0.41 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2k8y h GLU 94 CO 0.01 1.15 0.21 1.15 0.07 0.00 0.00 179.01 181.60 2k8y h THR 95 N 0.78 1.24 -0.34 -1.06 2.02 -1.80 -2.88 112.91 110.87 2k8y h THR 95 Ca 0.07 -0.83 0.04 0.00 0.77 0.00 0.00 66.41 66.46 2k8y h THR 95 Cb 0.97 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 2k8y h THR 95 CO 0.09 0.32 0.11 0.15 0.37 0.00 0.00 175.52 176.57 2k8y h PHE 96 N 0.97 0.20 -0.64 3.16 3.57 -1.30 -2.58 116.94 120.32 2k8y h PHE 96 Ca 0.22 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2k8y h PHE 96 Cb 0.27 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2k8y h PHE 96 CO 0.02 0.08 0.35 -0.09 -2.23 0.00 0.00 178.31 176.44 2k8y h ARG 97 N 0.25 0.89 -0.53 1.11 2.43 -1.30 -1.04 114.38 116.19 2k8y h ARG 97 Ca 0.15 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2k8y h ARG 97 Cb 0.13 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 2k8y h ARG 97 CO -0.16 0.67 0.24 0.87 -1.51 0.00 0.00 179.97 180.07 2k8y h LYS 98 N 0.87 0.44 -0.17 0.20 1.79 -1.29 -1.54 116.57 116.87 2k8y h LYS 98 Ca 0.23 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.60 2k8y h LYS 98 Cb 0.04 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2k8y h LYS 98 CO -0.04 0.29 -0.17 0.82 -1.08 0.00 0.00 179.45 179.27 2k8y h ILE 99 N 0.45 1.34 -0.79 1.86 1.08 -1.20 -3.24 117.51 117.02 2k8y h ILE 99 Ca 0.24 -1.33 0.13 0.00 -0.39 0.00 0.00 64.86 63.51 2k8y h ILE 99 Cb 0.21 1.84 -0.09 0.00 -3.07 0.00 0.00 36.82 35.71 2k8y h ILE 99 CO -0.20 0.40 0.38 0.22 -0.69 0.00 0.00 178.15 178.25 2k8y h TYR 100 N 0.06 0.66 -0.25 1.37 3.20 -0.88 -2.23 116.97 118.89 2k8y h TYR 100 Ca 0.03 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.95 2k8y h TYR 100 Cb 0.71 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 2k8y h TYR 100 CO 0.08 0.16 0.09 0.93 -1.64 0.00 0.00 178.16 177.79 2k8y h GLU 101 N 0.57 0.21 0.05 1.82 5.08 -1.31 -1.19 114.58 119.81 2k8y h GLU 101 Ca 0.42 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.52 2k8y h GLU 101 Cb 0.57 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2k8y h GLU 101 CO -0.35 0.14 -1.05 -0.07 -1.00 0.00 0.00 179.01 176.68 2k8y h LEU 102 N 0.22 0.56 -0.08 1.33 -0.00 -1.57 -3.31 115.31 112.45 2k8y h LEU 102 Ca 0.11 -0.49 -0.25 0.00 -0.00 0.00 0.00 57.88 57.25 2k8y h LEU 102 Cb 0.07 -0.17 0.02 0.00 -0.00 0.00 0.00 40.66 40.57 2k8y h LEU 102 CO -0.10 1.31 -0.93 0.16 -0.00 0.00 0.00 178.44 178.88 2k8y h ILE 103 N 0.20 1.28 -4.21 1.22 3.07 -1.37 -3.46 117.51 114.24 2k8y h ILE 103 Ca -0.11 -2.13 0.00 0.00 1.55 0.00 0.00 64.86 64.18 2k8y h ILE 103 Cb 1.71 2.21 -0.06 0.00 -0.27 0.00 0.00 36.82 40.41 2k8y h ILE 103 CO 0.18 0.67 -0.85 0.61 -1.05 0.00 0.00 178.15 177.71 2k8y n GLY 104 N 0.91 -4.17 0.51 0.16 0.00 -0.45 -0.63 105.19 101.53 2k8y n GLY 104 Ca -0.09 0.70 -0.01 0.00 0.00 0.00 0.00 46.02 46.62 2k8y n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8y n GLY 105 N 0.83 1.92 3.53 -0.02 0.00 -1.26 -3.80 105.19 106.39 2k8y n GLY 105 Ca -0.18 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 2k8y n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8y s GLU 106 N -2.02 3.64 -0.20 1.61 2.02 -0.40 -4.93 118.70 118.42 2k8y s GLU 106 Ca 0.02 -0.49 -0.29 0.00 0.02 0.00 0.00 54.97 54.24 2k8y s GLU 106 Cb -0.01 -2.94 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 2k8y s GLU 106 CO 0.02 0.30 2.02 0.42 0.02 0.00 0.00 175.26 178.03 2k8y s ILE 107 N 0.23 3.19 -0.41 -1.63 -1.09 -1.26 -0.97 121.20 119.26 2k8y s ILE 107 Ca -0.01 0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.63 2k8y s ILE 107 Cb -0.14 -3.23 0.13 0.00 -1.58 0.00 0.00 42.46 37.64 2k8y s ILE 107 CO 0.02 -0.13 0.20 -0.62 -1.23 0.00 0.00 174.94 173.19 2k8y s ASP 108 N 6.75 3.78 0.41 3.58 -1.08 -0.34 -4.91 116.67 124.86 2k8y s ASP 108 Ca 0.91 -2.40 0.07 0.00 -0.52 0.00 0.00 52.55 50.61 2k8y s ASP 108 Cb -0.31 -1.03 0.84 0.00 -1.46 0.00 0.00 42.92 40.96 2k8y s ASP 108 CO 0.35 -0.30 2.05 -2.24 0.52 0.00 0.00 175.17 175.54 2k8y h ASP 109 N 7.06 0.47 -0.33 -0.34 2.03 -1.92 -3.17 116.42 120.22 2k8y h ASP 109 Ca -0.04 -0.02 0.10 0.00 -0.73 0.00 0.00 57.03 56.34 2k8y h ASP 109 Cb 0.95 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.32 2k8y h ASP 109 CO 0.48 0.36 0.43 0.28 -1.03 0.00 0.00 179.24 179.76 2k8y h SER 110 N 0.55 0.00 0.14 4.15 0.02 -1.94 0.24 113.55 116.70 2k8y h SER 110 Ca 0.15 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 2k8y h SER 110 Cb -0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2k8y h SER 110 CO -0.03 0.00 -0.28 -0.37 -1.14 0.00 0.00 176.83 175.01 2k8y h VAL 111 N 0.00 1.25 -0.02 2.27 -1.51 -1.89 -2.61 116.25 113.74 2k8y h VAL 111 Ca 0.16 -1.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.46 2k8y h VAL 111 Cb 1.01 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2k8y h VAL 111 CO -0.00 0.35 -0.15 0.18 -1.23 0.00 0.00 177.57 176.72 2k8y n LEU 112 N -4.14 2.06 -0.06 4.19 4.77 0.75 -4.36 117.00 120.20 2k8y n LEU 112 Ca -0.01 -0.69 0.08 0.00 -0.03 0.00 0.00 56.01 55.36 2k8y n LEU 112 Cb 0.38 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 2k8y n LEU 112 CO 0.40 0.36 0.00 -0.62 -1.33 0.00 0.00 177.39 176.20 2k8y n GLU 113 N 0.40 1.35 0.00 3.23 -0.58 -0.71 -2.43 120.64 121.90 2k8y n GLU 113 Ca 0.14 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2k8y n GLU 113 Cb 0.46 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 2k8y n GLU 113 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 2k8y n ILE 114 N -1.23 -0.76 -3.86 -3.67 0.00 -1.08 -4.95 119.36 103.82 2k8y n ILE 114 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 62.75 62.72 2k8y n ILE 114 Cb 0.28 -0.33 -0.02 0.00 0.00 0.00 0.00 39.64 39.57 2k8y n ILE 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2k8y s ASN 115 N -1.19 -0.23 0.29 9.51 4.22 -1.26 -4.97 114.94 121.31 2k8y s ASN 115 Ca 0.00 -0.67 -0.02 0.00 -2.14 0.00 0.00 52.86 50.04 2k8y s ASN 115 Cb 0.00 0.74 0.43 0.00 1.28 0.00 0.00 41.25 43.69 2k8y s ASN 115 CO 0.00 -1.37 1.90 -0.08 -2.04 0.00 0.00 177.10 175.51 2k8y h GLU 116 N 2.01 0.96 0.05 3.55 4.81 -1.99 -2.32 114.58 121.65 2k8y h GLU 116 Ca -0.20 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 58.93 2k8y h GLU 116 Cb 1.25 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2k8y h GLU 116 CO 0.25 0.73 -0.25 0.22 -0.73 0.00 0.00 179.01 179.23 2k8y h ASP 117 N 0.96 -0.72 -0.25 1.04 3.58 -1.98 -2.23 116.42 116.81 2k8y h ASP 117 Ca 0.24 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.74 2k8y h ASP 117 Cb 0.08 0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2k8y h ASP 117 CO -0.03 -0.33 0.05 0.11 -2.88 0.00 0.00 179.24 176.16 2k8y h LYS 118 N -0.42 0.50 -0.02 0.28 6.56 -1.70 -3.23 116.57 118.54 2k8y h LYS 118 Ca 0.05 -0.09 -0.02 0.00 -1.06 0.00 0.00 60.65 59.53 2k8y h LYS 118 Cb 0.47 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2k8y h LYS 118 CO -0.18 0.49 -0.07 1.49 -2.06 0.00 0.00 179.45 179.11 2k8y h GLU 119 N 0.49 0.08 -0.00 3.15 4.81 -0.96 -1.80 114.58 120.35 2k8y h GLU 119 Ca 0.11 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.11 2k8y h GLU 119 Cb 0.24 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2k8y h GLU 119 CO 0.00 0.70 -0.78 0.00 -0.73 0.00 0.00 179.01 178.21 2k8y h ARG 120 N -0.52 0.06 -0.37 1.92 3.08 -1.53 -2.51 114.38 114.51 2k8y h ARG 120 Ca -0.00 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.04 2k8y h ARG 120 Cb 0.71 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.73 2k8y h ARG 120 CO 0.02 0.81 0.08 1.25 -1.07 0.00 0.00 179.97 181.05 2k8y h LEU 121 N 0.04 0.03 -1.49 3.04 5.85 -1.59 -3.21 115.31 117.97 2k8y h LEU 121 Ca -0.02 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.87 2k8y h LEU 121 Cb 1.37 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.42 2k8y h LEU 121 CO 0.11 0.05 0.48 0.40 -0.34 0.00 0.00 178.44 179.14 2k8y h ILE 122 N 0.21 0.89 0.00 4.05 2.04 -0.87 -1.42 117.51 122.41 2k8y h ILE 122 Ca 0.18 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 2k8y h ILE 122 Cb 0.20 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2k8y h ILE 122 CO -0.22 0.10 -0.48 0.08 0.00 0.00 0.00 178.15 177.63 2k8y h ARG 123 N 0.55 0.00 0.46 2.37 -0.00 -1.54 -1.85 114.38 114.36 2k8y h ARG 123 Ca 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.30 2k8y h ARG 123 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.56 2k8y h ARG 123 CO -0.12 0.48 -0.22 0.93 -0.00 0.00 0.00 179.97 181.04 2k8y h GLU 124 N 0.00 -0.59 0.00 0.08 5.08 -1.32 -1.85 114.58 115.98 2k8y h GLU 124 Ca -0.00 0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 2k8y h GLU 124 Cb 1.09 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2k8y h GLU 124 CO 0.06 -0.32 -0.72 -0.84 -1.00 0.00 0.00 179.01 176.19 2k8y h ILE 125 N -1.08 1.47 0.00 3.13 -2.65 -1.59 -3.31 117.51 113.47 2k8y h ILE 125 Ca -0.06 -2.52 -0.23 0.00 1.03 0.00 0.00 64.86 63.08 2k8y h ILE 125 Cb 0.54 2.38 -0.04 0.00 -2.05 0.00 0.00 36.82 37.65 2k8y h ILE 125 CO 0.10 0.71 -2.20 0.49 0.03 0.00 0.00 178.15 177.28 2k8y n PHE 126 N -3.60 0.05 -2.96 0.16 3.72 -0.70 -5.06 117.46 109.07 2k8y n PHE 126 Ca -0.01 0.02 -0.05 0.00 -0.05 0.00 0.00 57.45 57.37 2k8y n PHE 126 Cb 0.72 -0.83 0.02 0.00 -0.94 0.00 0.00 39.48 38.46 2k8y n PHE 126 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2k8y n LYS 127 N -2.58 -1.47 -4.80 -1.08 4.76 -0.70 -5.02 118.16 107.27 2k8y n LYS 127 Ca -0.22 1.19 -0.31 0.00 -2.87 0.00 0.00 58.31 56.10 2k8y n LYS 127 Cb 0.93 -5.36 -0.13 0.00 -1.84 0.00 0.00 35.03 28.63 2k8y n LYS 127 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2k8y s ILE 128 N -3.12 2.70 0.19 -0.18 1.01 -1.25 -5.05 121.20 115.50 2k8y s ILE 128 Ca 0.14 -1.11 -0.09 0.00 0.00 0.00 0.00 60.65 59.59 2k8y s ILE 128 Cb -0.02 -2.09 0.26 0.00 0.01 0.00 0.00 42.46 40.62 2k8y s ILE 128 CO 0.67 0.41 1.15 -1.14 0.00 0.00 0.00 174.94 176.03 2k8y n ARG 129 N 1.81 -0.12 0.00 2.79 0.63 -1.26 -4.85 116.66 115.67 2k8y n ARG 129 Ca -0.16 1.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.91 2k8y n ARG 129 Cb 0.52 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.73 2k8y n ARG 129 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k8y n GLY 130 N -1.41 1.75 3.32 5.14 0.00 -1.26 -5.12 105.19 107.61 2k8y n GLY 130 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2k8y n GLY 130 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k8y s PHE 131 N -2.00 2.13 0.00 1.61 5.36 -1.26 -5.00 117.98 118.81 2k8y s PHE 131 Ca 0.00 -0.40 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 2k8y s PHE 131 Cb 0.00 -1.25 0.00 0.00 -0.34 0.00 0.00 43.02 41.43 2k8y s PHE 131 CO 0.00 0.14 0.00 0.41 -1.46 0.00 0.00 175.22 174.31 2k8y n GLY 132 N 1.67 1.62 2.66 13.12 0.00 -1.26 -4.71 105.19 118.30 2k8y n GLY 132 Ca -0.17 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 2k8y n GLY 132 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k8y s ASN 133 N -4.00 1.44 0.49 1.61 2.47 -1.26 -5.04 114.94 110.65 2k8y s ASN 133 Ca 0.00 -0.09 0.18 0.00 0.42 0.00 0.00 52.86 53.37 2k8y s ASN 133 Cb 0.00 -0.14 1.21 0.00 -1.45 0.00 0.00 41.25 40.87 2k8y s ASN 133 CO 0.00 -0.28 2.04 1.62 -3.72 0.00 0.00 177.10 176.76 2k8y h VAL 134 N 6.43 0.88 0.22 -5.21 3.04 -1.97 -1.09 116.25 118.54 2k8y h VAL 134 Ca -0.13 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.49 2k8y h VAL 134 Cb 1.13 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2k8y h VAL 134 CO 0.19 0.03 -0.10 0.58 -1.01 0.00 0.00 177.57 177.25 2k8y h VAL 135 N 0.16 0.83 -0.76 1.51 2.07 -1.96 -2.24 116.25 115.87 2k8y h VAL 135 Ca 0.19 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.89 2k8y h VAL 135 Cb 0.52 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2k8y h VAL 135 CO -0.03 0.17 0.49 -0.33 0.02 0.00 0.00 177.57 177.89 2k8y h GLU 136 N -0.75 0.95 -0.03 1.57 5.08 -1.93 -3.16 114.58 116.31 2k8y h GLU 136 Ca -0.03 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 2k8y h GLU 136 Cb 0.50 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2k8y h GLU 136 CO 0.05 0.63 -0.66 0.00 -1.00 0.00 0.00 179.01 178.02 2k8y h ARG 137 N 0.97 0.14 -0.25 2.33 -0.00 -1.19 -0.09 114.38 116.28 2k8y h ARG 137 Ca 0.29 -0.11 -0.13 0.00 -0.50 0.00 0.00 59.98 59.54 2k8y h ARG 137 Cb -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 29.95 2k8y h ARG 137 CO -0.09 0.75 -0.35 -0.24 0.00 0.00 0.00 179.97 180.04 2k8y h VAL 138 N 0.10 1.31 -0.93 2.04 3.04 -1.42 -0.93 116.25 119.46 2k8y h VAL 138 Ca -0.01 -1.54 -0.00 0.00 -1.01 0.00 0.00 66.70 64.13 2k8y h VAL 138 Cb 1.19 1.70 -0.05 0.00 -2.01 0.00 0.00 31.29 32.12 2k8y h VAL 138 CO 0.10 0.49 0.57 -0.07 -1.01 0.00 0.00 177.57 177.64 2k8y h LEU 139 N 0.41 1.11 -0.43 3.16 4.07 -1.46 -1.76 115.31 120.41 2k8y h LEU 139 Ca 0.03 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 2k8y h LEU 139 Cb 0.94 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.38 2k8y h LEU 139 CO 0.08 0.85 0.15 -0.33 -1.08 0.00 0.00 178.44 178.11 2k8y h GLU 140 N 1.28 0.66 -0.31 1.13 5.08 -0.95 -1.47 114.58 120.00 2k8y h GLU 140 Ca 0.33 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2k8y h GLU 140 Cb -0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2k8y h GLU 140 CO -0.06 0.63 0.10 -0.22 -1.00 0.00 0.00 179.01 178.46 2k8y h LYS 141 N 0.55 0.47 0.00 2.33 1.63 -0.94 -2.14 116.57 118.47 2k8y h LYS 141 Ca 0.14 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 2k8y h LYS 141 Cb 0.24 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 2k8y h LYS 141 CO -0.01 0.51 -0.17 -0.84 -3.45 0.00 0.00 179.45 175.49 2k8y h ILE 142 N 0.34 0.35 0.00 2.00 3.07 -1.34 -2.07 117.51 119.86 2k8y h ILE 142 Ca 0.10 -1.20 -0.00 0.00 1.55 0.00 0.00 64.86 65.30 2k8y h ILE 142 Cb 0.23 1.93 -0.00 0.00 -0.27 0.00 0.00 36.82 38.71 2k8y h ILE 142 CO -0.00 0.17 -0.01 0.00 -1.05 0.00 0.00 178.15 177.26 2k8y h ALA 143 N 1.83 1.00 0.00 0.16 0.00 -1.07 -2.70 119.26 118.47 2k8y h ALA 143 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k8y h ALA 143 Cb 0.91 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2k8y h ALA 143 CO 0.02 0.01 0.00 -0.11 0.00 0.00 0.00 179.25 179.17 2k8y n LEU 144 N -3.10 0.00 -0.07 0.00 -0.00 -0.78 -1.20 117.00 111.86 2k8y n LEU 144 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.94 2k8y n LEU 144 Cb 0.41 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.76 2k8y n LEU 144 CO 0.30 0.00 -0.96 -0.38 -0.00 0.00 0.00 177.39 176.36 2k8y n ILE 145 N -0.73 0.84 0.48 1.96 -0.00 -1.03 -4.66 119.36 116.21 2k8y n ILE 145 Ca 0.10 -0.36 0.11 0.00 -0.00 0.00 0.00 62.75 62.59 2k8y n ILE 145 Cb 0.04 -0.95 0.44 0.00 -0.00 0.00 0.00 39.64 39.18 2k8y n ILE 145 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2k8y n GLU 146 N -2.81 0.14 -2.63 0.38 1.02 -0.92 -4.90 120.64 110.91 2k8y n GLU 146 Ca -0.24 0.33 -0.07 0.00 -0.02 0.00 0.00 57.16 57.15 2k8y n GLU 146 Cb 0.80 -1.74 0.04 0.00 -0.02 0.00 0.00 31.44 30.52 2k8y n GLU 146 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2k8y n LEU 147 N -2.00 -2.88 -4.13 -4.62 4.77 -0.50 -5.06 117.00 102.58 2k8y n LEU 147 Ca 0.03 -0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 55.65 2k8y n LEU 147 Cb 0.24 -1.65 -0.10 0.00 -2.33 0.00 0.00 43.42 39.58 2k8y n LEU 147 CO 0.19 0.17 -0.37 -0.75 -1.33 0.00 0.00 177.39 175.30 2k8y s LYS 148 N -4.61 0.73 -0.23 3.23 2.20 -0.34 -5.06 119.74 115.66 2k8y s LYS 148 Ca 0.01 -1.28 -0.03 0.00 -0.36 0.00 0.00 55.97 54.31 2k8y s LYS 148 Cb -0.00 -0.03 0.12 0.00 -1.51 0.00 0.00 37.83 36.41 2k8y s LYS 148 CO 0.32 -0.06 0.34 0.15 -0.36 0.00 0.00 175.35 175.74 2k8y s LYS 149 N -3.83 0.31 0.00 4.03 -0.14 -1.26 -4.32 119.74 114.53 2k8y s LYS 149 Ca 0.09 0.47 0.27 0.00 -1.36 0.00 0.00 55.97 55.44 2k8y s LYS 149 Cb 0.06 -0.63 1.61 0.00 -1.68 0.00 0.00 37.83 37.19 2k8y s LYS 149 CO -0.07 -0.63 1.96 0.39 -0.76 0.00 0.00 175.35 176.24