#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 -1.39 -0.02 4.61 0.00 -1.26 -5.09 121.76 118.60 2k8y s ALA 2 Ca 0.00 1.40 -0.05 0.00 0.00 0.00 0.00 51.96 53.31 2k8y s ALA 2 Cb 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 2k8y s ALA 2 CO 0.00 -0.28 -0.11 -0.12 0.00 0.00 0.00 175.76 175.24 2k8y n MET 3 N 2.29 0.17 -2.42 0.00 0.00 -1.26 -5.13 117.12 110.78 2k8y n MET 3 Ca -0.15 0.07 -0.02 0.00 -0.00 0.00 0.00 57.70 57.60 2k8y n MET 3 Cb 0.56 -0.80 -0.02 0.00 0.00 0.00 0.00 33.22 32.96 2k8y n MET 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2k8y n ASP 4 N -3.66 -3.97 -0.20 6.12 9.92 -1.26 -4.95 116.55 118.55 2k8y n ASP 4 Ca -0.09 1.11 -0.02 0.00 -0.53 0.00 0.00 54.79 55.26 2k8y n ASP 4 Cb 0.32 -4.42 0.09 0.00 -0.64 0.00 0.00 41.12 36.47 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 2.79 0.53 -6.15 -0.24 0.13 -2.00 -3.43 132.00 123.63 2k8y h PRO 5 Ca -0.21 -0.03 -0.53 0.00 -0.87 0.00 0.00 66.00 64.36 2k8y h PRO 5 Cb 0.47 -0.12 -0.07 0.00 0.13 0.00 0.00 31.00 31.42 2k8y h PRO 5 CO 0.05 0.35 -0.53 -1.64 -0.23 0.00 0.00 178.00 176.00 2k8y s MET 6 N -6.10 2.52 -0.57 0.86 -1.94 -1.26 -5.01 119.30 107.79 2k8y s MET 6 Ca -0.13 -1.40 -0.24 0.00 -1.71 0.00 0.00 55.69 52.21 2k8y s MET 6 Cb 0.16 -2.30 0.04 0.00 2.01 0.00 0.00 34.83 34.74 2k8y s MET 6 CO 0.75 0.18 0.97 0.42 -0.01 0.00 0.00 175.02 177.33 2k8y s ILE 7 N -2.34 4.33 -0.27 2.53 1.01 -0.34 -4.93 121.20 121.20 2k8y s ILE 7 Ca 0.37 0.23 -0.10 0.00 0.00 0.00 0.00 60.65 61.15 2k8y s ILE 7 Cb -0.05 -4.58 -0.05 0.00 0.01 0.00 0.00 42.46 37.79 2k8y s ILE 7 CO 0.24 -1.20 0.16 -0.63 0.00 0.00 0.00 174.94 173.50 2k8y s ILE 8 N 4.09 5.12 0.06 2.92 -1.09 -1.26 -2.35 121.20 128.70 2k8y s ILE 8 Ca 0.30 0.11 0.06 0.00 -2.23 0.00 0.00 60.65 58.89 2k8y s ILE 8 Cb -0.13 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2k8y s ILE 8 CO 0.18 0.28 -0.18 -0.13 -1.23 0.00 0.00 174.94 173.87 2k8y s ARG 9 N 1.62 1.11 -0.10 2.79 1.81 -0.70 -4.96 118.95 120.52 2k8y s ARG 9 Ca 0.07 -0.93 -0.04 0.00 -1.72 0.00 0.00 55.73 53.10 2k8y s ARG 9 Cb -0.15 -1.21 -0.04 0.00 -0.45 0.00 0.00 34.95 33.10 2k8y s ARG 9 CO 0.09 0.30 0.08 0.20 -0.68 0.00 0.00 175.30 175.28 2k8y s GLY 10 N -1.39 2.02 -0.07 -3.53 0.00 -1.26 -1.02 107.32 102.07 2k8y s GLY 10 Ca 0.04 -0.73 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 2k8y s GLY 10 CO 0.02 -0.49 0.14 -1.50 0.00 0.00 0.00 173.10 171.27 2k8y s ILE 11 N -0.98 -0.15 -0.05 0.90 2.07 -0.88 -1.04 121.20 121.06 2k8y s ILE 11 Ca 0.15 0.28 -0.19 0.00 -1.41 0.00 0.00 60.65 59.47 2k8y s ILE 11 Cb -0.12 -0.25 -0.05 0.00 0.13 0.00 0.00 42.46 42.18 2k8y s ILE 11 CO 0.04 0.12 0.55 0.00 -1.91 0.00 0.00 174.94 173.73 2k8y s ARG 12 N 1.73 4.30 0.00 3.50 1.70 0.34 -1.79 118.95 128.74 2k8y s ARG 12 Ca -0.03 0.62 0.00 0.00 -0.47 0.00 0.00 55.73 55.85 2k8y s ARG 12 Cb -0.12 -3.37 0.00 0.00 -0.57 0.00 0.00 34.95 30.89 2k8y s ARG 12 CO -0.05 0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.87 2k8y n GLY 13 N 2.74 0.66 3.55 3.88 0.00 0.02 -1.49 105.19 114.56 2k8y n GLY 13 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.18 1.86 -0.58 4.61 0.00 -0.21 -4.47 121.76 120.79 2k8y s ALA 14 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 51.96 51.56 2k8y s ALA 14 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.81 2k8y s ALA 14 CO 0.00 -4.19 1.57 1.03 0.00 0.00 0.00 175.76 174.17 2k8y s ARG 15 N 7.77 3.08 -0.28 0.00 0.52 -0.00 -1.60 118.95 128.44 2k8y s ARG 15 Ca 0.89 0.50 -0.29 0.00 -0.52 0.00 0.00 55.73 56.31 2k8y s ARG 15 Cb -0.17 -4.22 -0.01 0.00 0.52 0.00 0.00 34.95 31.08 2k8y s ARG 15 CO 0.25 -2.21 1.39 0.42 0.02 0.00 0.00 175.30 175.17 2k8y s ILE 16 N 7.04 4.01 -0.14 1.52 -1.09 -1.26 -4.33 121.20 126.94 2k8y s ILE 16 Ca 0.57 1.14 -0.06 0.00 -2.23 0.00 0.00 60.65 60.07 2k8y s ILE 16 Cb -0.12 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2k8y s ILE 16 CO 0.23 -0.43 0.06 0.54 -1.23 0.00 0.00 174.94 174.11 2k8y s ASN 17 N 3.22 5.66 0.00 3.58 4.22 -1.26 -4.85 114.94 125.51 2k8y s ASN 17 Ca 0.61 0.17 0.22 0.00 -2.14 0.00 0.00 52.86 51.72 2k8y s ASN 17 Cb -0.19 -1.85 1.26 0.00 1.28 0.00 0.00 41.25 41.75 2k8y s ASN 17 CO 0.25 0.28 1.71 -0.46 -2.04 0.00 0.00 177.10 176.83 2k8y n ASN 18 N 2.85 0.00 0.24 3.54 0.23 -1.26 -3.00 115.26 117.86 2k8y n ASN 18 Ca -0.18 -0.50 0.14 0.00 -0.53 0.00 0.00 54.58 53.51 2k8y n ASN 18 Cb 0.53 -0.09 0.39 0.00 -2.08 0.00 0.00 39.78 38.53 2k8y n ASN 18 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2k8y h GLU 19 N 0.00 0.00 -0.24 -3.83 3.07 -2.01 -3.30 114.58 108.27 2k8y h GLU 19 Ca 0.00 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.93 2k8y h GLU 19 Cb 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2k8y h GLU 19 CO 0.00 0.02 0.56 -0.84 -1.40 0.00 0.00 179.01 177.36 2k8y h ILE 20 N 0.00 0.12 -0.01 3.13 3.07 -1.95 -1.58 117.51 120.29 2k8y h ILE 20 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2k8y h ILE 20 Cb 0.80 0.49 0.00 0.00 -0.27 0.00 0.00 36.82 37.84 2k8y h ILE 20 CO 0.00 0.00 -0.00 0.49 -1.05 0.00 0.00 178.15 177.59 2k8y n PHE 21 N -3.12 0.00 0.17 0.16 3.72 -1.24 -4.10 117.46 113.04 2k8y n PHE 21 Ca 0.04 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.47 2k8y n PHE 21 Cb 0.67 -0.00 0.29 0.00 -0.94 0.00 0.00 39.48 39.50 2k8y n PHE 21 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 2k8y h ASN 22 N 0.82 0.00 0.66 4.37 7.08 -1.58 -2.80 115.58 124.13 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 0.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.42 2k8y h ASN 22 CO 0.00 0.46 0.00 0.00 -2.08 0.00 0.00 177.43 175.81 2k8y n LEU 23 N -3.71 0.00 -0.73 6.14 -0.00 -1.26 -4.92 117.00 112.52 2k8y n LEU 23 Ca -0.01 0.33 -0.08 0.00 -0.00 0.00 0.00 56.01 56.25 2k8y n LEU 23 Cb 0.53 -0.33 -0.04 0.00 -0.00 0.00 0.00 43.42 43.58 2k8y n LEU 23 CO 0.39 -0.01 -0.08 0.61 -0.00 0.00 0.00 177.39 178.30 2k8y n GLY 24 N 1.29 0.80 3.81 1.47 0.00 -1.06 -4.96 105.19 106.55 2k8y n GLY 24 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.10 3.29 -0.65 0.99 1.43 -1.26 -4.99 118.68 115.39 2k8y s LEU 25 Ca 0.00 1.70 -0.26 0.00 -1.03 0.00 0.00 54.13 54.54 2k8y s LEU 25 Cb 0.00 -4.51 0.04 0.00 0.03 0.00 0.00 46.19 41.75 2k8y s LEU 25 CO 0.00 -1.32 1.14 -0.54 0.23 0.00 0.00 176.35 175.86 2k8y s LYS 26 N -4.63 3.28 0.11 1.70 1.02 -1.26 -4.97 119.74 114.98 2k8y s LYS 26 Ca 0.60 -0.24 -0.11 0.00 0.02 0.00 0.00 55.97 56.24 2k8y s LYS 26 Cb -0.15 -4.13 0.01 0.00 -0.52 0.00 0.00 37.83 33.05 2k8y s LYS 26 CO 0.47 -1.86 0.27 -0.59 -0.92 0.00 0.00 175.35 172.73 2k8y s PHE 27 N 4.91 0.03 0.01 3.18 -0.71 -1.26 -4.25 117.98 119.90 2k8y s PHE 27 Ca 0.34 -0.42 -0.03 0.00 -1.04 0.00 0.00 56.93 55.77 2k8y s PHE 27 Cb -0.10 0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.76 2k8y s PHE 27 CO 0.17 -0.61 0.05 -1.14 -1.34 0.00 0.00 175.22 172.35 2k8y s GLN 28 N -3.85 0.41 -0.06 1.99 -0.44 -0.53 -5.03 119.66 112.15 2k8y s GLN 28 Ca 0.05 -0.54 0.00 0.00 -2.50 0.00 0.00 55.36 52.37 2k8y s GLN 28 Cb 0.04 0.16 0.02 0.00 -1.64 0.00 0.00 33.01 31.59 2k8y s GLN 28 CO -0.11 -0.08 -0.03 0.42 0.50 0.00 0.00 175.29 175.99 2k8y s ILE 29 N -1.54 0.52 0.44 -2.34 1.01 -1.26 -0.71 121.20 117.31 2k8y s ILE 29 Ca -0.15 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.52 2k8y s ILE 29 Cb -0.08 -0.59 -0.06 0.00 0.01 0.00 0.00 42.46 41.74 2k8y s ILE 29 CO -0.00 0.25 0.04 -1.48 0.00 0.00 0.00 174.94 173.75 2k8y s LEU 30 N 1.39 2.75 -0.06 2.97 0.05 -0.48 -2.42 118.68 122.88 2k8y s LEU 30 Ca -0.04 -1.41 -0.22 0.00 0.05 0.00 0.00 54.13 52.52 2k8y s LEU 30 Cb -0.13 -0.93 -0.04 0.00 -2.05 0.00 0.00 46.19 43.04 2k8y s LEU 30 CO -0.03 -0.59 0.64 0.21 -0.55 0.00 0.00 176.35 176.04 2k8y s ASN 31 N -3.79 6.94 0.00 1.48 2.47 0.36 -0.28 114.94 122.12 2k8y s ASN 31 Ca 0.28 1.13 0.29 0.00 0.42 0.00 0.00 52.86 54.98 2k8y s ASN 31 Cb 0.07 -2.38 1.36 0.00 -1.45 0.00 0.00 41.25 38.85 2k8y s ASN 31 CO 0.15 -0.04 1.94 0.00 -3.72 0.00 0.00 177.10 175.42 2k8y n ALA 32 N 3.47 2.69 -0.14 1.71 0.00 -0.88 -3.36 120.51 124.02 2k8y n ALA 32 Ca -0.04 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 2k8y n ALA 32 Cb 0.51 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 0.52 0.57 -0.02 0.00 3.32 -1.93 -3.34 116.42 115.54 2k8y h ASP 33 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2k8y h ASP 33 Cb 0.30 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2k8y h ASP 33 CO 0.00 0.61 -0.16 1.33 -1.72 0.00 0.00 179.24 179.31 2k8y n VAL 34 N -4.61 0.00 -3.00 -1.35 0.24 -1.21 -4.69 118.33 103.70 2k8y n VAL 34 Ca -0.00 -0.42 -0.40 0.00 -2.04 0.00 0.00 64.34 61.47 2k8y n VAL 34 Cb 0.17 1.32 -0.04 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.79 5.02 -0.01 3.34 0.11 -1.22 -4.92 120.40 120.94 2k8y s VAL 35 Ca 0.19 1.53 -0.02 0.00 -2.93 0.00 0.00 61.98 60.75 2k8y s VAL 35 Cb 0.15 -4.08 -0.01 0.00 -1.53 0.00 0.00 36.38 30.92 2k8y s VAL 35 CO 0.33 0.24 0.29 0.00 -3.33 0.00 0.00 175.10 172.62 2k8y h ALA 36 N 6.78 -0.28 -2.12 1.54 0.00 -1.91 -3.45 119.26 119.81 2k8y h ALA 36 Ca -0.41 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.05 2k8y h ALA 36 Cb 1.20 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 2k8y h ALA 36 CO 0.75 -0.27 -0.65 0.95 0.00 0.00 0.00 179.25 180.03 2k8y s THR 37 N -1.74 1.24 0.64 0.00 -4.23 -1.26 -1.17 115.64 109.11 2k8y s THR 37 Ca -0.01 -2.05 0.34 0.00 -1.18 0.00 0.00 61.69 58.79 2k8y s THR 37 Cb 0.00 -2.50 0.37 0.00 1.34 0.00 0.00 72.50 71.71 2k8y s THR 37 CO 0.03 -0.23 2.13 0.07 -0.54 0.00 0.00 174.62 176.08 2k8y h LYS 38 N 2.32 0.00 -0.21 3.99 -0.00 -1.77 -0.80 116.57 120.09 2k8y h LYS 38 Ca -0.39 0.00 0.05 0.00 -0.00 0.00 0.00 60.65 60.31 2k8y h LYS 38 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.45 2k8y h LYS 38 CO 0.67 0.00 0.15 -0.22 -0.00 0.00 0.00 179.45 180.05 2k8y h LYS 39 N 0.00 0.04 -0.48 0.07 3.64 -1.96 -2.09 116.57 115.79 2k8y h LYS 39 Ca 0.04 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2k8y h LYS 39 Cb 0.39 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2k8y h LYS 39 CO -0.00 0.02 0.28 1.25 -2.27 0.00 0.00 179.45 178.73 2k8y h HIS 40 N 0.04 0.65 0.30 1.91 2.76 -1.51 -1.94 115.15 117.35 2k8y h HIS 40 Ca 0.10 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2k8y h HIS 40 Cb 0.35 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2k8y h HIS 40 CO -0.00 0.47 -0.14 0.28 -1.30 0.00 0.00 177.93 177.23 2k8y h VAL 41 N 0.64 0.72 -0.17 5.26 2.07 -1.53 -3.19 116.25 120.05 2k8y h VAL 41 Ca 0.17 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 2k8y h VAL 41 Cb 0.02 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2k8y h VAL 41 CO -0.03 0.10 -0.08 0.17 0.02 0.00 0.00 177.57 177.75 2k8y h LEU 42 N -0.69 0.23 -1.18 2.57 8.10 -1.39 -0.72 115.31 122.23 2k8y h LEU 42 Ca -0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 57.88 57.90 2k8y h LEU 42 Cb 0.48 -0.06 -0.03 0.00 -0.44 0.00 0.00 40.66 40.60 2k8y h LEU 42 CO 0.07 0.35 0.40 -0.74 -4.11 0.00 0.00 178.44 174.41 2k8y h HIS 43 N 0.24 0.94 -0.11 0.17 2.76 -1.44 -1.09 115.15 116.62 2k8y h HIS 43 Ca 0.05 -0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 58.04 2k8y h HIS 43 Cb 0.30 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 2k8y h HIS 43 CO 0.00 0.64 -0.68 0.00 -1.30 0.00 0.00 177.93 176.60 2k8y h ALA 44 N 1.47 0.63 -0.23 5.26 0.00 -1.15 -2.43 119.26 122.81 2k8y h ALA 44 Ca 0.25 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2k8y h ALA 44 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k8y h ALA 44 CO -0.04 0.74 0.08 0.82 0.00 0.00 0.00 179.25 180.85 2k8y h ILE 45 N 0.32 1.18 -0.79 0.00 2.04 -1.03 -0.94 117.51 118.28 2k8y h ILE 45 Ca -0.02 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.35 2k8y h ILE 45 Cb 1.24 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 2k8y h ILE 45 CO 0.12 0.18 0.52 0.78 0.00 0.00 0.00 178.15 179.75 2k8y h ASN 46 N 0.21 0.78 -0.52 1.72 4.21 -1.20 -0.26 115.58 120.51 2k8y h ASN 46 Ca 0.08 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.47 2k8y h ASN 46 Cb 0.20 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 2k8y h ASN 46 CO -0.00 0.51 -0.14 1.56 -1.29 0.00 0.00 177.43 178.06 2k8y h GLN 47 N 0.89 1.02 0.00 0.81 1.08 -1.27 -2.14 115.11 115.50 2k8y h GLN 47 Ca 0.33 -0.40 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 2k8y h GLN 47 Cb 0.19 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2k8y h GLN 47 CO -0.11 1.09 -0.24 0.00 -0.95 0.00 0.00 178.83 178.61 2k8y h ALA 48 N 0.91 1.36 0.09 3.87 0.00 -0.18 -0.53 119.26 124.78 2k8y h ALA 48 Ca 0.13 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 2k8y h ALA 48 Cb 0.72 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2k8y h ALA 48 CO 0.06 0.30 -1.15 0.87 0.00 0.00 0.00 179.25 179.33 2k8y h LYS 49 N 0.00 0.25 0.00 0.00 1.57 -0.91 -3.35 116.57 114.14 2k8y h LYS 49 Ca -0.00 -0.39 -0.22 0.00 -1.87 0.00 0.00 60.65 58.17 2k8y h LYS 49 Cb 0.50 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 2k8y h LYS 49 CO 0.03 1.16 -1.38 0.00 -0.57 0.00 0.00 179.45 178.69 2k8y h THR 50 N 0.09 0.89 -2.98 -0.16 1.03 -1.22 -3.46 112.91 107.10 2k8y h THR 50 Ca -0.11 -2.56 -0.63 0.00 -0.01 0.00 0.00 66.41 63.11 2k8y h THR 50 Cb 1.86 2.37 -0.09 0.00 -1.07 0.00 0.00 68.15 71.22 2k8y h THR 50 CO 0.18 0.50 -0.43 -0.54 -0.01 0.00 0.00 175.52 175.22 2k8y s LYS 51 N -2.75 3.85 -0.55 0.00 -0.14 -0.22 -5.06 119.74 114.87 2k8y s LYS 51 Ca -0.02 -0.08 -0.28 0.00 -1.36 0.00 0.00 55.97 54.23 2k8y s LYS 51 Cb 0.08 -3.30 0.01 0.00 -1.68 0.00 0.00 37.83 32.94 2k8y s LYS 51 CO 0.81 0.53 1.42 -1.59 -0.76 0.00 0.00 175.35 175.77 2k8y s LYS 52 N -0.36 3.32 1.01 1.68 -2.85 -1.26 -4.74 119.74 116.55 2k8y s LYS 52 Ca 0.14 0.50 -0.12 0.00 -1.00 0.00 0.00 55.97 55.49 2k8y s LYS 52 Cb -0.12 -4.12 0.20 0.00 -2.06 0.00 0.00 37.83 31.73 2k8y s LYS 52 CO 0.03 -1.91 1.08 -1.25 0.10 0.00 0.00 175.35 173.40 2k8y s PRO 53 N 5.47 0.28 0.00 1.78 0.04 -1.26 -4.96 135.00 136.34 2k8y s PRO 53 Ca 0.53 0.93 0.13 0.00 0.04 0.00 0.00 61.00 62.63 2k8y s PRO 53 Cb -0.11 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 2k8y s PRO 53 CO 0.26 -2.94 0.71 -0.89 0.04 0.00 0.00 177.00 174.18 2k8y n ILE 54 N -4.38 0.00 -1.73 0.56 2.08 -1.26 -5.00 119.36 109.63 2k8y n ILE 54 Ca 0.06 -0.35 -0.29 0.00 0.56 0.00 0.00 62.75 62.73 2k8y n ILE 54 Cb 0.54 1.14 0.21 0.00 -0.75 0.00 0.00 39.64 40.78 2k8y n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k8y n ALA 55 N -0.29 -1.85 0.19 -1.39 0.00 -1.26 -5.00 120.51 110.92 2k8y n ALA 55 Ca 0.05 -1.66 0.07 0.00 0.00 0.00 0.00 53.44 51.90 2k8y n ALA 55 Cb 0.26 -0.09 0.33 0.00 0.00 0.00 0.00 19.45 19.95 2k8y n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k8y h LYS 56 N 0.00 0.00 0.00 0.00 1.79 -1.94 -3.48 116.57 112.93 2k8y h LYS 56 Ca -0.41 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.13 2k8y h LYS 56 Cb 1.16 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 2k8y h LYS 56 CO 0.29 0.33 0.42 0.45 -1.08 0.00 0.00 179.45 179.85 2k8y n SER 57 N -3.42 -1.72 0.19 0.86 2.88 -1.26 -5.01 113.62 106.13 2k8y n SER 57 Ca 0.00 -2.03 -0.14 0.00 -1.33 0.00 0.00 58.87 55.37 2k8y n SER 57 Cb 0.51 2.82 -0.07 0.00 -0.75 0.00 0.00 64.21 66.73 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 1.87 -0.65 -0.22 0.66 3.57 -1.94 -1.39 116.94 118.84 2k8y h PHE 58 Ca -0.26 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 2k8y h PHE 58 Cb 1.07 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2k8y h PHE 58 CO 0.00 -0.37 0.03 -1.49 -2.23 0.00 0.00 178.31 174.25 2k8y h TRP 59 N -0.55 0.31 0.00 0.41 4.06 -1.97 -1.42 115.95 116.79 2k8y h TRP 59 Ca -0.01 -0.01 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 2k8y h TRP 59 Cb 0.49 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.54 2k8y h TRP 59 CO -0.15 0.30 -0.42 0.52 -3.56 0.00 0.00 178.44 175.13 2k8y h MET 60 N 0.31 0.00 -0.01 0.49 2.86 -1.91 -2.87 114.93 113.79 2k8y h MET 60 Ca 0.07 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.55 2k8y h MET 60 Cb 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2k8y h MET 60 CO 0.00 0.42 -0.76 1.49 1.06 0.00 0.00 176.91 179.12 2k8y h GLU 61 N 0.00 0.12 -0.22 1.72 4.57 -0.15 -2.68 114.58 117.94 2k8y h GLU 61 Ca -0.00 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2k8y h GLU 61 Cb 0.97 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 2k8y h GLU 61 CO 0.05 0.82 0.12 0.82 -1.18 0.00 0.00 179.01 179.65 2k8y h ILE 62 N 0.08 1.11 -0.11 2.32 2.04 -1.25 -0.77 117.51 120.93 2k8y h ILE 62 Ca -0.02 -0.29 -0.16 0.00 1.00 0.00 0.00 64.86 65.39 2k8y h ILE 62 Cb 1.34 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2k8y h ILE 62 CO 0.11 0.10 -0.60 0.17 0.00 0.00 0.00 178.15 177.93 2k8y h LEU 63 N 0.24 0.43 -0.15 1.44 8.10 -1.56 -2.78 115.31 121.02 2k8y h LEU 63 Ca 0.08 -0.24 -0.22 0.00 0.11 0.00 0.00 57.88 57.60 2k8y h LEU 63 Cb 0.06 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 40.15 2k8y h LEU 63 CO -0.01 0.93 -0.98 -0.37 -4.11 0.00 0.00 178.44 173.90 2k8y h VAL 64 N 0.28 1.48 -0.16 0.15 -1.51 -1.43 -3.29 116.25 111.77 2k8y h VAL 64 Ca -0.01 -2.69 -0.05 0.00 -1.23 0.00 0.00 66.70 62.72 2k8y h VAL 64 Cb 1.13 2.56 -0.00 0.00 -2.13 0.00 0.00 31.29 32.85 2k8y h VAL 64 CO 0.10 0.79 -0.10 -0.09 -1.23 0.00 0.00 177.57 177.04 2k8y h ARG 65 N 0.14 0.34 0.00 5.19 9.65 -1.12 -0.57 114.38 128.01 2k8y h ARG 65 Ca -0.07 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 2k8y h ARG 65 Cb 1.63 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.21 2k8y h ARG 65 CO 0.16 0.69 0.00 0.00 2.80 0.00 0.00 179.97 183.62 2k8y h ALA 66 N 0.65 1.00 -0.30 2.80 0.00 -1.62 -1.31 119.26 120.48 2k8y h ALA 66 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k8y h ALA 66 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k8y h ALA 66 CO 0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 2k8y n SER 67 N -2.92 3.25 0.00 0.00 3.41 -1.19 -4.85 113.62 111.31 2k8y n SER 67 Ca 0.00 -2.42 0.00 0.00 -0.26 0.00 0.00 58.87 56.19 2k8y n SER 67 Cb 0.26 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 0.40 1.33 2.68 5.00 0.00 -0.76 -4.72 105.19 109.13 2k8y n GLY 68 Ca 0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 2k8y n GLY 68 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k8y n GLN 69 N -1.47 -4.03 0.00 1.61 7.27 -0.57 -4.83 117.38 115.37 2k8y n GLN 69 Ca 0.00 3.10 0.00 0.00 0.07 0.00 0.00 57.00 60.17 2k8y n GLN 69 Cb 0.07 -4.72 0.00 0.00 2.41 0.00 0.00 30.24 28.00 2k8y n GLN 69 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2k8y n ARG 70 N 1.56 0.43 -4.53 3.69 5.12 -0.28 -4.95 116.66 117.71 2k8y n ARG 70 Ca -0.29 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.37 2k8y n ARG 70 Cb 0.47 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.66 2k8y n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2k8y s GLN 71 N 1.19 1.78 0.24 5.56 -1.52 -1.26 -4.84 119.66 120.81 2k8y s GLN 71 Ca 0.00 -1.91 -0.08 0.00 -1.95 0.00 0.00 55.36 51.42 2k8y s GLN 71 Cb 0.00 -1.65 0.40 0.00 -0.22 0.00 0.00 33.01 31.55 2k8y s GLN 71 CO 0.00 0.14 1.65 0.82 -0.25 0.00 0.00 175.29 177.65 2k8y h ILE 72 N 2.07 0.39 0.13 1.08 1.08 -1.95 -1.57 117.51 118.73 2k8y h ILE 72 Ca -0.42 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.02 2k8y h ILE 72 Cb 1.25 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 2k8y h ILE 72 CO 0.69 0.02 -0.20 0.45 -0.69 0.00 0.00 178.15 178.43 2k8y h HIS 73 N 0.12 -0.52 0.81 1.37 3.86 -2.00 -2.20 115.15 116.59 2k8y h HIS 73 Ca 0.39 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.57 2k8y h HIS 73 Cb 0.67 0.21 0.01 0.00 1.06 0.00 0.00 27.41 29.37 2k8y h HIS 73 CO -0.39 -0.29 -0.39 0.93 0.86 0.00 0.00 177.93 178.65 2k8y h GLU 74 N -0.39 -1.04 0.10 2.45 3.07 -1.82 -3.18 114.58 113.77 2k8y h GLU 74 Ca 0.02 0.07 0.02 0.00 -0.50 0.00 0.00 59.36 58.97 2k8y h GLU 74 Cb 0.40 0.24 -0.04 0.00 -0.84 0.00 0.00 28.75 28.51 2k8y h GLU 74 CO -0.10 -0.69 -0.29 0.00 -1.40 0.00 0.00 179.01 176.53 2k8y h ALA 75 N -0.91 -0.48 -0.10 3.43 0.00 -1.27 0.43 119.26 120.36 2k8y h ALA 75 Ca -0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2k8y h ALA 75 Cb 0.83 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2k8y h ALA 75 CO 0.18 -0.83 -0.13 0.82 0.00 0.00 0.00 179.25 179.30 2k8y h ILE 76 N -0.50 1.15 0.20 0.00 2.04 -1.53 0.08 117.51 118.95 2k8y h ILE 76 Ca 0.04 -0.66 -0.35 0.00 1.00 0.00 0.00 64.86 64.89 2k8y h ILE 76 Cb 0.54 1.22 0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2k8y h ILE 76 CO -0.18 0.20 -1.66 0.11 0.00 0.00 0.00 178.15 176.62 2k8y h LYS 77 N 0.14 0.43 0.05 2.37 1.57 -1.43 -2.82 116.57 116.88 2k8y h LYS 77 Ca 0.03 -0.74 -0.00 0.00 -1.87 0.00 0.00 60.65 58.07 2k8y h LYS 77 Cb 0.32 0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2k8y h LYS 77 CO 0.02 1.35 -0.02 0.82 -0.57 0.00 0.00 179.45 181.04 2k8y h ILE 78 N 0.12 0.00 -0.50 1.86 2.04 -0.79 -3.40 117.51 116.84 2k8y h ILE 78 Ca -0.31 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2k8y h ILE 78 Cb 2.12 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2k8y h ILE 78 CO 0.21 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.66 2k8y n ILE 79 N -2.90 0.88 -2.02 -0.67 -5.35 -0.09 -4.94 119.36 104.27 2k8y n ILE 79 Ca -0.01 -0.94 -0.28 0.00 -0.27 0.00 0.00 62.75 61.25 2k8y n ILE 79 Cb 0.03 0.61 0.13 0.00 -1.74 0.00 0.00 39.64 38.66 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 -1.06 1.70 0.32 3.28 0.00 -0.57 -0.49 107.32 110.49 2k8y s GLY 80 Ca 0.36 -1.01 -0.29 0.00 0.00 0.00 0.00 44.72 43.78 2k8y s GLY 80 CO 0.25 -0.41 1.46 0.00 0.00 0.00 0.00 173.10 174.40 2k8y s ALA 81 N -3.62 3.61 0.07 3.20 0.00 -1.02 -3.55 121.76 120.46 2k8y s ALA 81 Ca 0.67 1.44 -0.18 0.00 0.00 0.00 0.00 51.96 53.89 2k8y s ALA 81 Cb -0.08 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.51 2k8y s ALA 81 CO 0.50 -0.87 0.43 -1.59 0.00 0.00 0.00 175.76 174.22 2k8y s LYS 82 N -1.24 1.00 0.65 0.00 0.00 -1.26 -4.97 119.74 113.91 2k8y s LYS 82 Ca 0.56 -0.46 -0.17 0.00 0.00 0.00 0.00 55.97 55.89 2k8y s LYS 82 Cb -0.44 0.44 -0.04 0.00 0.00 0.00 0.00 37.83 37.79 2k8y s LYS 82 CO 0.53 -0.36 0.81 -0.25 0.00 0.00 0.00 175.35 176.07 2k8y n ASP 83 N 0.22 0.02 0.00 0.03 9.92 -1.26 -4.57 116.55 120.91 2k8y n ASP 83 Ca -0.18 0.72 0.00 0.00 -0.53 0.00 0.00 54.79 54.80 2k8y n ASP 83 Cb 0.61 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.77 2k8y n ASP 83 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k8y n GLY 84 N 1.40 1.13 3.55 0.44 0.00 -0.63 -4.87 105.19 106.22 2k8y n GLY 84 Ca 0.13 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 6.44 0.27 1.61 0.02 -1.26 -0.80 114.94 117.22 2k8y s ASN 85 Ca 0.00 -0.05 0.02 0.00 -1.02 0.00 0.00 52.86 51.81 2k8y s ASN 85 Cb 0.00 -2.45 -0.05 0.00 0.02 0.00 0.00 41.25 38.78 2k8y s ASN 85 CO 0.00 -1.11 0.12 0.54 0.02 0.00 0.00 177.10 176.66 2k8y s VAL 86 N 3.83 0.46 -0.09 1.60 0.11 -0.74 -2.06 120.40 123.51 2k8y s VAL 86 Ca 0.35 -2.00 -0.00 0.00 -2.93 0.00 0.00 61.98 57.39 2k8y s VAL 86 Cb -0.11 -2.59 0.02 0.00 -1.53 0.00 0.00 36.38 32.17 2k8y s VAL 86 CO 0.24 0.00 -0.05 0.00 -3.33 0.00 0.00 175.10 171.96 2k8y s LEU 88 N 1.65 4.19 -0.27 0.00 0.20 -0.19 -1.38 118.68 122.89 2k8y s LEU 88 Ca 0.02 0.24 -0.03 0.00 0.69 0.00 0.00 54.13 55.05 2k8y s LEU 88 Cb -0.13 -2.13 0.03 0.00 -0.43 0.00 0.00 46.19 43.53 2k8y s LEU 88 CO -0.06 0.14 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.49 2k8y s ILE 89 N 0.55 3.11 0.06 6.68 1.01 0.11 -1.71 121.20 131.00 2k8y s ILE 89 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2k8y s ILE 89 Cb -0.12 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 2k8y s ILE 89 CO 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 174.94 175.02 2k8y h GLU 91 N 3.54 -0.09 -5.39 0.00 5.08 -1.89 -0.88 114.58 114.96 2k8y h GLU 91 Ca -0.34 0.01 -0.41 0.00 -1.00 0.00 0.00 59.36 57.62 2k8y h GLU 91 Cb 1.17 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.28 2k8y h GLU 91 CO 0.58 0.48 -0.74 -0.51 -1.00 0.00 0.00 179.01 177.82 2k8y s ASP 92 N -5.71 2.19 0.38 1.42 1.01 -1.26 -4.53 116.67 110.17 2k8y s ASP 92 Ca -0.15 -0.96 0.27 0.00 0.71 0.00 0.00 52.55 52.43 2k8y s ASP 92 Cb 0.00 -0.08 1.31 0.00 1.01 0.00 0.00 42.92 45.16 2k8y s ASP 92 CO 0.59 -0.21 1.82 -0.33 0.21 0.00 0.00 175.17 177.25 2k8y h GLU 93 N 2.91 0.00 -0.03 8.23 5.08 -1.98 -1.41 114.58 127.38 2k8y h GLU 93 Ca -0.38 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.89 2k8y h GLU 93 Cb 1.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.46 2k8y h GLU 93 CO 0.59 0.00 -0.31 1.05 -1.00 0.00 0.00 179.01 179.34 2k8y h GLU 94 N 0.00 0.26 -0.87 2.33 4.11 -2.00 -2.12 114.58 116.29 2k8y h GLU 94 Ca 0.00 -0.24 -0.02 0.00 0.07 0.00 0.00 59.36 59.17 2k8y h GLU 94 Cb 0.20 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2k8y h GLU 94 CO 0.00 0.92 0.48 1.15 0.07 0.00 0.00 179.01 181.63 2k8y h THR 95 N -0.32 1.25 -0.04 -1.06 2.02 -1.88 -2.88 112.91 110.01 2k8y h THR 95 Ca -0.03 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.55 2k8y h THR 95 Cb 1.01 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2k8y h THR 95 CO 0.06 0.28 -0.11 0.15 0.37 0.00 0.00 175.52 176.28 2k8y h PHE 96 N 1.22 -0.27 -0.67 3.16 3.57 -1.29 -2.62 116.94 120.04 2k8y h PHE 96 Ca 0.31 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 2k8y h PHE 96 Cb 0.02 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2k8y h PHE 96 CO 0.01 -0.17 0.38 -0.09 -2.23 0.00 0.00 178.31 176.21 2k8y h ARG 97 N -0.17 0.93 -0.11 1.11 2.43 -1.28 -0.14 114.38 117.15 2k8y h ARG 97 Ca 0.05 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2k8y h ARG 97 Cb 0.24 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2k8y h ARG 97 CO -0.14 0.69 -0.04 0.87 -1.51 0.00 0.00 179.97 179.84 2k8y h LYS 98 N 0.92 -0.02 -0.18 0.20 1.79 -1.37 -0.84 116.57 117.07 2k8y h LYS 98 Ca 0.24 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.64 2k8y h LYS 98 Cb 0.02 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2k8y h LYS 98 CO -0.04 -0.01 -0.18 0.82 -1.08 0.00 0.00 179.45 178.96 2k8y h ILE 99 N -0.02 1.34 -0.60 1.86 1.08 -1.29 -3.13 117.51 116.75 2k8y h ILE 99 Ca 0.06 -1.34 0.09 0.00 -0.39 0.00 0.00 64.86 63.28 2k8y h ILE 99 Cb 0.10 1.82 -0.07 0.00 -3.07 0.00 0.00 36.82 35.60 2k8y h ILE 99 CO -0.12 0.40 0.23 0.22 -0.69 0.00 0.00 178.15 178.19 2k8y h TYR 100 N 0.08 0.40 -0.02 1.37 3.20 -0.92 -2.59 116.97 118.50 2k8y h TYR 100 Ca 0.03 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 2k8y h TYR 100 Cb 0.72 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2k8y h TYR 100 CO 0.08 0.11 -0.44 0.93 -1.64 0.00 0.00 178.16 177.20 2k8y h GLU 101 N 0.41 0.03 -0.19 1.82 5.08 -1.15 -0.99 114.58 119.60 2k8y h GLU 101 Ca 0.30 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 2k8y h GLU 101 Cb 0.37 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2k8y h GLU 101 CO -0.30 0.47 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.02 2k8y h LEU 102 N 0.03 0.41 -0.02 1.33 -0.00 -1.45 -3.36 115.31 112.26 2k8y h LEU 102 Ca -0.00 -0.41 -0.24 0.00 -0.00 0.00 0.00 57.88 57.24 2k8y h LEU 102 Cb 0.80 -0.11 0.02 0.00 -0.00 0.00 0.00 40.66 41.36 2k8y h LEU 102 CO 0.06 0.73 -0.91 0.16 -0.00 0.00 0.00 178.44 178.47 2k8y h ILE 103 N 0.10 1.31 -2.82 1.22 3.07 -1.24 -3.46 117.51 115.69 2k8y h ILE 103 Ca 0.04 -2.17 0.00 0.00 1.55 0.00 0.00 64.86 64.28 2k8y h ILE 103 Cb 0.57 2.39 -0.00 0.00 -0.27 0.00 0.00 36.82 39.50 2k8y h ILE 103 CO 0.03 0.67 -0.29 0.61 -1.05 0.00 0.00 178.15 178.12 2k8y n GLY 104 N 1.04 -3.64 0.00 0.16 0.00 -0.39 -0.82 105.19 101.53 2k8y n GLY 104 Ca -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.50 -1.27 3.77 -0.02 0.00 -1.26 -3.47 105.19 103.44 2k8y n GLY 105 Ca -0.01 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 2k8y n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k8y s GLU 106 N -0.58 2.95 0.08 1.61 2.12 -0.55 -4.93 118.70 119.39 2k8y s GLU 106 Ca 0.00 -0.59 -0.31 0.00 0.36 0.00 0.00 54.97 54.43 2k8y s GLU 106 Cb 0.00 -2.78 -0.07 0.00 0.26 0.00 0.00 34.13 31.55 2k8y s GLU 106 CO 0.00 0.61 1.31 0.42 -0.54 0.00 0.00 175.26 177.06 2k8y s ILE 107 N -1.27 3.65 -0.30 -3.70 -1.09 -1.26 -0.50 121.20 116.73 2k8y s ILE 107 Ca 0.25 1.17 -0.01 0.00 -2.23 0.00 0.00 60.65 59.83 2k8y s ILE 107 Cb -0.12 -3.75 0.10 0.00 -1.58 0.00 0.00 42.46 37.11 2k8y s ILE 107 CO 0.17 0.08 0.09 -0.62 -1.23 0.00 0.00 174.94 173.43 2k8y s ASP 108 N 1.19 3.91 0.26 3.58 -1.08 -0.21 -4.83 116.67 119.49 2k8y s ASP 108 Ca 0.62 -1.54 0.04 0.00 -0.52 0.00 0.00 52.55 51.15 2k8y s ASP 108 Cb -0.33 -0.80 0.35 0.00 -1.46 0.00 0.00 42.92 40.68 2k8y s ASP 108 CO 0.29 -0.41 1.64 -2.24 0.52 0.00 0.00 175.17 174.97 2k8y h ASP 109 N 8.13 0.32 -0.98 -0.34 2.03 -1.95 -3.33 116.42 120.29 2k8y h ASP 109 Ca -0.14 -0.15 0.22 0.00 -0.73 0.00 0.00 57.03 56.23 2k8y h ASP 109 Cb 1.02 -0.09 -0.09 0.00 -0.83 0.00 0.00 39.33 39.34 2k8y h ASP 109 CO 0.46 0.74 0.63 0.28 -1.03 0.00 0.00 179.24 180.32 2k8y h SER 110 N 0.24 0.52 0.58 4.15 0.02 -1.96 -1.14 113.55 115.96 2k8y h SER 110 Ca 0.02 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2k8y h SER 110 Cb 0.91 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 2k8y h SER 110 CO 0.07 0.16 -0.08 -0.37 -1.14 0.00 0.00 176.83 175.47 2k8y h VAL 111 N 0.50 0.31 -0.59 2.27 -1.51 -1.93 -2.93 116.25 112.36 2k8y h VAL 111 Ca 0.55 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 2k8y h VAL 111 Cb 1.23 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 2k8y h VAL 111 CO -0.28 0.08 0.00 0.18 -1.23 0.00 0.00 177.57 176.32 2k8y n LEU 112 N -3.35 5.28 0.00 4.19 4.77 -0.43 -4.41 117.00 123.05 2k8y n LEU 112 Ca -0.01 -2.74 0.00 0.00 -0.03 0.00 0.00 56.01 53.23 2k8y n LEU 112 Cb 0.26 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2k8y n LEU 112 CO 0.28 0.71 0.27 -1.84 -1.33 0.00 0.00 177.39 175.48 2k8y n GLU 113 N 0.78 0.58 -0.12 3.23 0.28 -1.11 -2.14 120.64 122.14 2k8y n GLU 113 Ca 0.27 -0.64 0.00 0.00 -0.16 0.00 0.00 57.16 56.63 2k8y n GLU 113 Cb 1.06 -0.63 0.00 0.00 1.43 0.00 0.00 31.44 33.30 2k8y n GLU 113 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2k8y n ILE 114 N -0.10 -1.32 -3.90 3.84 2.08 -0.32 -4.90 119.36 114.75 2k8y n ILE 114 Ca 0.00 0.18 -0.09 0.00 0.56 0.00 0.00 62.75 63.40 2k8y n ILE 114 Cb 0.39 -1.03 -0.01 0.00 -0.75 0.00 0.00 39.64 38.23 2k8y n ILE 114 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2k8y s ASN 115 N -1.22 0.03 0.29 4.38 4.22 -1.26 -5.03 114.94 116.35 2k8y s ASN 115 Ca 0.00 -0.99 0.07 0.00 -2.14 0.00 0.00 52.86 49.80 2k8y s ASN 115 Cb 0.00 0.74 0.44 0.00 1.28 0.00 0.00 41.25 43.71 2k8y s ASN 115 CO 0.00 -1.43 1.69 -0.33 -2.04 0.00 0.00 177.10 174.98 2k8y h GLU 116 N 2.06 0.21 -0.07 3.55 5.08 -2.01 -0.45 114.58 122.96 2k8y h GLU 116 Ca -0.26 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.01 2k8y h GLU 116 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2k8y h GLU 116 CO 0.34 0.62 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.47 2k8y h ASP 117 N 0.18 -0.20 -0.93 1.42 5.19 -2.00 -2.21 116.42 117.87 2k8y h ASP 117 Ca 0.01 0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.54 2k8y h ASP 117 Cb 0.86 0.10 -0.07 0.00 0.18 0.00 0.00 39.33 40.40 2k8y h ASP 117 CO 0.07 -0.09 0.58 0.11 -3.12 0.00 0.00 179.24 176.79 2k8y h LYS 118 N -0.08 1.01 -0.02 3.56 6.56 -1.71 -3.25 116.57 122.64 2k8y h LYS 118 Ca 0.05 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2k8y h LYS 118 Cb 0.16 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.59 2k8y h LYS 118 CO -0.12 0.67 -0.05 1.49 -2.06 0.00 0.00 179.45 179.37 2k8y h GLU 119 N 1.04 0.07 -0.25 3.15 4.81 -0.57 0.22 114.58 123.04 2k8y h GLU 119 Ca 0.41 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.44 2k8y h GLU 119 Cb 0.22 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2k8y h GLU 119 CO -0.19 0.67 -0.45 0.07 -0.73 0.00 0.00 179.01 178.38 2k8y h ARG 120 N -0.52 0.65 -0.24 1.92 0.11 -1.53 -1.04 114.38 113.73 2k8y h ARG 120 Ca -0.00 -0.36 0.01 0.00 0.10 0.00 0.00 59.98 59.73 2k8y h ARG 120 Cb 0.67 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.76 2k8y h ARG 120 CO 0.01 0.97 0.14 1.25 0.10 0.00 0.00 179.97 182.44 2k8y h LEU 121 N 0.52 0.24 -0.96 0.08 5.85 -1.58 -2.33 115.31 117.13 2k8y h LEU 121 Ca 0.03 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2k8y h LEU 121 Cb 0.99 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2k8y h LEU 121 CO 0.09 0.17 0.20 0.40 -0.34 0.00 0.00 178.44 178.97 2k8y h ILE 122 N 0.30 1.24 0.00 4.05 2.04 -0.70 -2.47 117.51 121.97 2k8y h ILE 122 Ca 0.09 -0.81 -0.10 0.00 1.00 0.00 0.00 64.86 65.04 2k8y h ILE 122 Cb -0.02 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2k8y h ILE 122 CO -0.03 0.31 -0.47 0.08 0.00 0.00 0.00 178.15 178.04 2k8y h ARG 123 N 0.93 0.00 0.33 2.37 0.11 -1.12 -1.69 114.38 115.31 2k8y h ARG 123 Ca 0.21 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.27 2k8y h ARG 123 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2k8y h ARG 123 CO -0.01 0.47 -0.16 1.49 0.10 0.00 0.00 179.97 181.86 2k8y h GLU 124 N 0.00 -0.42 -0.00 0.08 4.57 -1.04 -2.09 114.58 115.68 2k8y h GLU 124 Ca -0.00 0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.03 2k8y h GLU 124 Cb 1.08 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 2k8y h GLU 124 CO 0.06 -0.14 -0.81 -0.84 -1.18 0.00 0.00 179.01 176.10 2k8y h ILE 125 N -1.01 1.53 0.04 2.32 -2.65 -1.49 -3.28 117.51 112.96 2k8y h ILE 125 Ca -0.04 -2.62 -0.33 0.00 1.03 0.00 0.00 64.86 62.89 2k8y h ILE 125 Cb 0.48 2.43 -0.05 0.00 -2.05 0.00 0.00 36.82 37.64 2k8y h ILE 125 CO 0.07 0.76 -1.96 0.49 0.03 0.00 0.00 178.15 177.54 2k8y n PHE 126 N -3.64 0.84 -2.41 0.16 3.72 -0.64 -5.07 117.46 110.42 2k8y n PHE 126 Ca -0.02 0.25 -0.04 0.00 -0.05 0.00 0.00 57.45 57.59 2k8y n PHE 126 Cb 0.77 -1.14 0.01 0.00 -0.94 0.00 0.00 39.48 38.18 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 -3.14 -1.86 -4.37 -1.08 4.76 -0.79 -5.04 118.16 106.65 2k8y n LYS 127 Ca -0.26 1.75 -0.22 0.00 -2.87 0.00 0.00 58.31 56.71 2k8y n LYS 127 Cb 1.06 -4.32 -0.11 0.00 -1.84 0.00 0.00 35.03 29.82 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 -1.87 1.96 0.20 -0.18 1.01 -1.23 -5.06 121.20 116.03 2k8y s ILE 128 Ca 0.13 -2.06 -0.21 0.00 0.00 0.00 0.00 60.65 58.51 2k8y s ILE 128 Cb -0.04 -1.98 0.15 0.00 0.01 0.00 0.00 42.46 40.60 2k8y s ILE 128 CO 0.54 -0.36 1.56 -0.09 0.00 0.00 0.00 174.94 176.59 2k8y h ARG 129 N 2.96 -0.07 -0.16 2.79 2.43 -1.99 -3.46 114.38 116.89 2k8y h ARG 129 Ca -0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2k8y h ARG 129 Cb 1.22 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2k8y h ARG 129 CO 0.54 -0.05 0.00 0.41 -1.51 0.00 0.00 179.97 179.36 2k8y n GLY 130 N -1.43 1.20 3.54 2.80 0.00 -1.26 -5.07 105.19 104.98 2k8y n GLY 130 Ca 0.07 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.16 2.62 0.00 1.61 5.36 -1.26 -4.98 117.98 119.17 2k8y s PHE 131 Ca 0.00 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 2k8y s PHE 131 Cb 0.00 -1.33 0.00 0.00 -0.34 0.00 0.00 43.02 41.35 2k8y s PHE 131 CO 0.00 0.46 0.00 0.41 -1.46 0.00 0.00 175.22 174.63 2k8y n GLY 132 N 0.39 1.65 3.57 13.12 0.00 -1.26 -4.66 105.19 118.00 2k8y n GLY 132 Ca -0.13 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 6.22 0.45 1.61 2.47 -1.26 -4.97 114.94 115.46 2k8y s ASN 133 Ca 0.00 -0.03 0.16 0.00 0.42 0.00 0.00 52.86 53.40 2k8y s ASN 133 Cb 0.00 -2.21 1.02 0.00 -1.45 0.00 0.00 41.25 38.61 2k8y s ASN 133 CO 0.00 -0.31 1.98 0.58 -3.72 0.00 0.00 177.10 175.64 2k8y h VAL 134 N 5.50 1.08 -0.02 -5.21 2.07 -1.94 -3.13 116.25 114.61 2k8y h VAL 134 Ca -0.30 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 2k8y h VAL 134 Cb 1.15 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2k8y h VAL 134 CO 0.69 0.19 0.00 0.58 0.02 0.00 0.00 177.57 179.05 2k8y h VAL 135 N 0.00 1.23 -0.15 2.57 2.07 -1.95 -0.79 116.25 119.24 2k8y h VAL 135 Ca -0.00 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 2k8y h VAL 135 Cb 0.36 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2k8y h VAL 135 CO 0.03 0.18 -0.17 -0.33 0.02 0.00 0.00 177.57 177.30 2k8y h GLU 136 N -0.26 0.24 0.00 1.57 5.08 -1.99 -2.01 114.58 117.21 2k8y h GLU 136 Ca 0.00 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.08 2k8y h GLU 136 Cb 0.30 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2k8y h GLU 136 CO 0.00 0.41 -0.94 0.00 -1.00 0.00 0.00 179.01 177.48 2k8y h ARG 137 N 0.22 0.39 -0.02 2.33 2.47 -1.43 -2.54 114.38 115.80 2k8y h ARG 137 Ca 0.04 -0.42 -0.23 0.00 -1.26 0.00 0.00 59.98 58.11 2k8y h ARG 137 Cb 0.44 0.12 0.02 0.00 -1.65 0.00 0.00 29.97 28.90 2k8y h ARG 137 CO 0.03 1.09 -0.87 -0.24 0.56 0.00 0.00 179.97 180.54 2k8y h VAL 138 N 0.22 1.32 -1.00 2.04 3.04 -1.08 -3.18 116.25 117.61 2k8y h VAL 138 Ca -0.08 -2.15 0.07 0.00 -1.01 0.00 0.00 66.70 63.53 2k8y h VAL 138 Cb 1.58 2.39 -0.07 0.00 -2.01 0.00 0.00 31.29 33.18 2k8y h VAL 138 CO 0.16 0.66 0.64 -0.07 -1.01 0.00 0.00 177.57 177.95 2k8y h LEU 139 N 0.26 1.02 -0.47 3.16 4.07 -1.39 -2.09 115.31 119.88 2k8y h LEU 139 Ca -0.10 0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.70 2k8y h LEU 139 Cb 1.54 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 43.07 2k8y h LEU 139 CO 0.17 0.64 -0.64 1.05 -1.08 0.00 0.00 178.44 178.58 2k8y h GLU 140 N 1.15 0.47 -0.27 1.13 4.11 -1.57 -3.20 114.58 116.40 2k8y h GLU 140 Ca 0.43 -0.34 -0.03 0.00 0.07 0.00 0.00 59.36 59.50 2k8y h GLU 140 Cb 0.19 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2k8y h GLU 140 CO -0.18 0.96 0.05 -0.22 0.07 0.00 0.00 179.01 179.69 2k8y h LYS 141 N 0.34 0.45 0.00 1.06 3.64 -1.41 -0.01 116.57 120.64 2k8y h LYS 141 Ca -0.01 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2k8y h LYS 141 Cb 1.20 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2k8y h LYS 141 CO 0.11 0.55 0.00 0.44 -2.27 0.00 0.00 179.45 178.29 2k8y n ILE 142 N -4.67 0.64 -0.08 2.00 -5.35 -0.83 -1.53 119.36 109.53 2k8y n ILE 142 Ca -0.03 0.16 -0.08 0.00 -0.27 0.00 0.00 62.75 62.53 2k8y n ILE 142 Cb 0.20 -0.85 -0.16 0.00 -1.74 0.00 0.00 39.64 37.09 2k8y n ILE 142 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k8y n ALA 143 N -1.42 1.60 0.69 -1.28 0.00 -1.06 -4.25 120.51 114.79 2k8y n ALA 143 Ca 0.06 -1.21 0.03 0.00 0.00 0.00 0.00 53.44 52.33 2k8y n ALA 143 Cb 0.19 -0.31 0.20 0.00 0.00 0.00 0.00 19.45 19.53 2k8y n ALA 143 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k8y n LEU 144 N -2.75 0.00 0.10 0.00 -0.00 -0.04 -1.04 117.00 113.27 2k8y n LEU 144 Ca -0.29 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.51 2k8y n LEU 144 Cb 1.10 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 44.37 2k8y n LEU 144 CO 0.43 0.00 -0.29 0.40 -0.00 0.00 0.00 177.39 177.93 2k8y h ILE 145 N 0.00 1.22 0.01 1.96 1.08 -1.84 -3.23 117.51 116.70 2k8y h ILE 145 Ca 0.00 -2.75 -0.37 0.00 -0.39 0.00 0.00 64.86 61.35 2k8y h ILE 145 Cb 0.00 2.90 -0.06 0.00 -3.07 0.00 0.00 36.82 36.59 2k8y h ILE 145 CO 0.00 0.84 -2.32 1.21 -0.69 0.00 0.00 178.15 177.18 2k8y n GLU 146 N -3.60 0.68 -0.42 2.37 2.13 -0.71 -4.48 120.64 116.60 2k8y n GLU 146 Ca -0.17 0.09 -0.07 0.00 0.66 0.00 0.00 57.16 57.67 2k8y n GLU 146 Cb 1.07 -1.56 0.05 0.00 0.27 0.00 0.00 31.44 31.27 2k8y n GLU 146 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2k8y n LEU 147 N -2.99 4.42 -0.12 4.31 0.00 -0.20 -3.19 117.00 119.24 2k8y n LEU 147 Ca -0.35 -2.25 -0.16 0.00 0.00 0.00 0.00 56.01 53.24 2k8y n LEU 147 Cb 1.09 -0.68 -0.11 0.00 0.00 0.00 0.00 43.42 43.72 2k8y n LEU 147 CO 0.38 0.74 -1.25 1.17 0.00 0.00 0.00 177.39 178.43 2k8y n LYS 148 N 0.16 0.58 -2.43 1.96 4.81 -1.22 -4.73 118.16 117.29 2k8y n LYS 148 Ca 0.17 0.13 -0.03 0.00 -0.87 0.00 0.00 58.31 57.72 2k8y n LYS 148 Cb 0.79 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.38 2k8y n LYS 148 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2k8y n LYS 149 N -3.19 -1.29 -0.68 1.64 4.81 -1.19 -5.14 118.16 113.12 2k8y n LYS 149 Ca -0.41 1.40 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 2k8y n LYS 149 Cb 0.93 -4.25 0.00 0.00 0.02 0.00 0.00 35.03 31.74 2k8y n LYS 149 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96