#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 3.96 0.44 4.61 0.00 -1.26 -4.97 121.76 124.53 2k8y s ALA 2 Ca 0.00 -1.69 0.13 0.00 0.00 0.00 0.00 51.96 50.40 2k8y s ALA 2 Cb 0.00 -1.92 1.02 0.00 0.00 0.00 0.00 23.12 22.23 2k8y s ALA 2 CO 0.00 -1.12 2.00 0.52 0.00 0.00 0.00 175.76 177.15 2k8y h MET 3 N -0.20 0.39 -3.87 0.00 0.00 -2.08 -2.86 114.93 106.30 2k8y h MET 3 Ca -0.37 -0.02 -0.74 0.00 0.00 0.00 0.00 59.70 58.57 2k8y h MET 3 Cb 1.28 -0.09 -0.30 0.00 0.00 0.00 0.00 31.60 32.49 2k8y h MET 3 CO 0.44 0.26 -0.19 -0.51 0.00 0.00 0.00 176.91 176.90 2k8y s ASP 4 N -6.33 5.95 0.23 1.22 1.11 -1.26 -4.98 116.67 112.62 2k8y s ASP 4 Ca -0.08 -2.53 0.03 0.00 0.18 0.00 0.00 52.55 50.16 2k8y s ASP 4 Cb 0.19 -2.04 0.23 0.00 1.07 0.00 0.00 42.92 42.38 2k8y s ASP 4 CO 0.74 -0.54 1.55 1.55 1.18 0.00 0.00 175.17 179.66 2k8y h PRO 5 N 7.72 0.29 -6.19 8.23 0.13 -1.88 -3.44 132.00 136.86 2k8y h PRO 5 Ca -0.03 -0.20 -0.51 0.00 -0.87 0.00 0.00 66.00 64.40 2k8y h PRO 5 Cb 1.02 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 2k8y h PRO 5 CO 0.78 0.80 -0.52 -1.64 -0.23 0.00 0.00 178.00 177.18 2k8y s MET 6 N -3.81 2.79 -0.44 0.86 -1.94 -1.26 -4.79 119.30 110.70 2k8y s MET 6 Ca -0.05 -1.17 -0.12 0.00 -1.71 0.00 0.00 55.69 52.64 2k8y s MET 6 Cb 0.12 -2.48 0.08 0.00 2.01 0.00 0.00 34.83 34.55 2k8y s MET 6 CO 0.80 0.31 0.32 0.42 -0.01 0.00 0.00 175.02 176.87 2k8y s ILE 7 N -2.21 4.70 -0.22 2.53 1.01 -0.36 -4.98 121.20 121.67 2k8y s ILE 7 Ca 0.35 -1.25 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 2k8y s ILE 7 Cb -0.07 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 2k8y s ILE 7 CO 0.25 -0.54 -0.04 -0.63 0.00 0.00 0.00 174.94 173.97 2k8y s ILE 8 N 1.53 3.39 0.03 2.92 -1.09 -1.26 -1.48 121.20 125.23 2k8y s ILE 8 Ca 0.03 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 58.00 2k8y s ILE 8 Cb -0.24 -2.54 -0.02 0.00 -1.58 0.00 0.00 42.46 38.09 2k8y s ILE 8 CO 0.04 0.42 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.94 2k8y s ARG 9 N 1.45 0.70 -0.27 2.79 1.81 -0.84 -4.85 118.95 119.75 2k8y s ARG 9 Ca 0.05 -0.61 -0.07 0.00 -1.72 0.00 0.00 55.73 53.39 2k8y s ARG 9 Cb -0.14 -0.63 -0.01 0.00 -0.45 0.00 0.00 34.95 33.71 2k8y s ARG 9 CO -0.03 0.15 0.07 0.20 -0.68 0.00 0.00 175.30 175.01 2k8y s GLY 10 N -0.98 1.77 -0.12 -3.53 0.00 -1.26 -1.10 107.32 102.09 2k8y s GLY 10 Ca -0.01 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.47 2k8y s GLY 10 CO 0.01 0.57 -0.16 -1.50 0.00 0.00 0.00 173.10 172.02 2k8y s ILE 11 N 1.57 1.60 0.10 0.90 2.07 -0.53 -1.14 121.20 125.77 2k8y s ILE 11 Ca 0.05 -0.70 -0.24 0.00 -1.41 0.00 0.00 60.65 58.35 2k8y s ILE 11 Cb -0.16 -1.46 -0.07 0.00 0.13 0.00 0.00 42.46 40.91 2k8y s ILE 11 CO 0.03 0.46 0.74 0.00 -1.91 0.00 0.00 174.94 174.26 2k8y s ARG 12 N 0.99 4.49 0.00 3.50 1.70 0.74 -1.47 118.95 128.90 2k8y s ARG 12 Ca -0.06 1.06 0.00 0.00 -0.47 0.00 0.00 55.73 56.26 2k8y s ARG 12 Cb -0.15 -3.30 0.00 0.00 -0.57 0.00 0.00 34.95 30.93 2k8y s ARG 12 CO -0.02 0.46 0.00 0.41 -1.08 0.00 0.00 175.30 175.07 2k8y n GLY 13 N 1.94 0.58 3.60 3.88 0.00 -0.23 -1.26 105.19 113.71 2k8y n GLY 13 Ca -0.05 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.00 2.93 -0.62 4.61 0.00 -0.35 -4.46 121.76 121.88 2k8y s ALA 14 Ca 0.00 0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.82 2k8y s ALA 14 Cb 0.00 -3.99 0.01 0.00 0.00 0.00 0.00 23.12 19.15 2k8y s ALA 14 CO 0.00 -2.54 1.42 1.03 0.00 0.00 0.00 175.76 175.67 2k8y s ARG 15 N 5.41 3.20 -0.82 0.00 3.00 -0.45 -1.27 118.95 128.02 2k8y s ARG 15 Ca 0.74 0.27 -0.25 0.00 0.00 0.00 0.00 55.73 56.49 2k8y s ARG 15 Cb -0.20 -4.16 -0.03 0.00 0.00 0.00 0.00 34.95 30.56 2k8y s ARG 15 CO 0.33 -2.08 1.87 0.42 0.00 0.00 0.00 175.30 175.85 2k8y s ILE 16 N 6.27 3.46 0.13 1.52 -1.09 -1.26 -4.23 121.20 125.99 2k8y s ILE 16 Ca 0.49 -0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.73 2k8y s ILE 16 Cb -0.10 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 2k8y s ILE 16 CO 0.22 -1.02 0.21 0.54 -1.23 0.00 0.00 174.94 173.66 2k8y s ASN 17 N 7.74 6.05 0.19 3.58 6.03 -1.26 -4.83 114.94 132.44 2k8y s ASN 17 Ca 0.67 0.09 0.20 0.00 -1.03 0.00 0.00 52.86 52.79 2k8y s ASN 17 Cb -0.08 -1.76 0.86 0.00 -3.03 0.00 0.00 41.25 37.25 2k8y s ASN 17 CO 0.05 0.09 1.61 -0.46 -2.03 0.00 0.00 177.10 176.36 2k8y n ASN 18 N -0.25 0.46 -0.05 3.54 0.23 -1.26 -3.24 115.26 114.68 2k8y n ASN 18 Ca -0.07 0.63 -0.07 0.00 -0.53 0.00 0.00 54.58 54.53 2k8y n ASN 18 Cb 0.53 -0.72 0.10 0.00 -2.08 0.00 0.00 39.78 37.62 2k8y n ASN 18 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2k8y h GLU 19 N 0.00 0.68 -0.09 -3.83 4.57 -1.96 -2.88 114.58 111.07 2k8y h GLU 19 Ca 0.00 -0.30 0.02 0.00 -1.18 0.00 0.00 59.36 57.91 2k8y h GLU 19 Cb 0.28 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2k8y h GLU 19 CO 0.00 0.89 0.18 -0.84 -1.18 0.00 0.00 179.01 178.07 2k8y h ILE 20 N 0.58 0.22 0.00 2.32 3.07 -1.91 -1.65 117.51 120.14 2k8y h ILE 20 Ca 0.07 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.48 2k8y h ILE 20 Cb 0.80 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 2k8y h ILE 20 CO 0.07 0.00 -0.61 -0.26 -1.05 0.00 0.00 178.15 176.30 2k8y h PHE 21 N 0.00 0.00 0.00 0.16 0.04 -1.74 -3.36 116.94 112.04 2k8y h PHE 21 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2k8y h PHE 21 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 2k8y h PHE 21 CO 0.00 0.00 0.00 -0.91 -0.60 0.00 0.00 178.31 176.80 2k8y h ASN 22 N 0.00 0.00 0.85 2.17 2.35 -1.40 -2.99 115.58 116.55 2k8y h ASN 22 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k8y h ASN 22 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 2k8y h ASN 22 CO 0.00 0.00 -0.13 0.00 -1.65 0.00 0.00 177.43 175.65 2k8y n LEU 23 N -3.02 0.14 0.00 1.61 -0.00 -1.26 -4.94 117.00 109.53 2k8y n LEU 23 Ca 0.03 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.39 2k8y n LEU 23 Cb 0.41 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 2k8y n LEU 23 CO 0.30 0.03 0.00 0.61 -0.00 0.00 0.00 177.39 178.34 2k8y n GLY 24 N 1.49 0.00 3.66 1.47 0.00 -1.13 -4.96 105.19 105.71 2k8y n GLY 24 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 1.60 -0.93 0.99 1.43 -1.26 -4.92 118.68 115.59 2k8y s LEU 25 Ca 0.00 1.29 -0.24 0.00 -1.03 0.00 0.00 54.13 54.14 2k8y s LEU 25 Cb 0.00 -3.47 0.03 0.00 0.03 0.00 0.00 46.19 42.78 2k8y s LEU 25 CO 0.00 -3.21 1.52 -0.54 0.23 0.00 0.00 176.35 174.35 2k8y s LYS 26 N -4.89 3.30 0.13 1.70 3.01 -1.26 -4.92 119.74 116.81 2k8y s LYS 26 Ca 0.65 -0.75 -0.10 0.00 -1.01 0.00 0.00 55.97 54.76 2k8y s LYS 26 Cb -0.19 -5.06 0.00 0.00 -1.01 0.00 0.00 37.83 31.57 2k8y s LYS 26 CO 0.58 -2.42 0.28 -0.59 0.51 0.00 0.00 175.35 173.71 2k8y s PHE 27 N 6.17 0.17 0.08 3.18 -0.71 -1.26 -3.47 117.98 122.14 2k8y s PHE 27 Ca 0.49 -0.55 -0.08 0.00 -1.04 0.00 0.00 56.93 55.75 2k8y s PHE 27 Cb -0.03 0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.79 2k8y s PHE 27 CO -0.03 -0.66 0.16 -1.14 -1.34 0.00 0.00 175.22 172.22 2k8y s GLN 28 N -3.89 0.81 -0.04 1.99 -0.44 -0.96 -5.01 119.66 112.11 2k8y s GLN 28 Ca 0.09 -0.98 0.01 0.00 -2.50 0.00 0.00 55.36 51.99 2k8y s GLN 28 Cb 0.03 0.32 0.02 0.00 -1.64 0.00 0.00 33.01 31.75 2k8y s GLN 28 CO -0.06 -0.25 -0.05 0.42 0.50 0.00 0.00 175.29 175.85 2k8y s ILE 29 N -3.82 0.57 0.53 -2.34 1.01 -1.26 -0.81 121.20 115.06 2k8y s ILE 29 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.56 2k8y s ILE 29 Cb 0.05 -0.59 -0.00 0.00 0.01 0.00 0.00 42.46 41.93 2k8y s ILE 29 CO -0.11 0.23 0.01 -1.48 0.00 0.00 0.00 174.94 173.59 2k8y s LEU 30 N 0.90 2.21 0.35 2.97 2.34 -0.51 -3.60 118.68 123.33 2k8y s LEU 30 Ca -0.11 -1.69 -0.27 0.00 0.06 0.00 0.00 54.13 52.12 2k8y s LEU 30 Cb -0.14 -0.71 -0.09 0.00 -0.56 0.00 0.00 46.19 44.68 2k8y s LEU 30 CO 0.00 -0.92 1.08 0.21 -1.06 0.00 0.00 176.35 175.66 2k8y s ASN 31 N -3.91 6.97 -0.01 1.48 3.84 -0.31 -0.76 114.94 122.25 2k8y s ASN 31 Ca 0.02 2.16 -0.25 0.00 0.21 0.00 0.00 52.86 55.00 2k8y s ASN 31 Cb 0.00 -2.61 -0.19 0.00 -0.55 0.00 0.00 41.25 37.90 2k8y s ASN 31 CO 0.01 -0.35 1.32 0.00 -2.79 0.00 0.00 177.10 175.29 2k8y h ALA 32 N 3.10 0.02 0.00 1.71 0.00 -1.74 -3.26 119.26 119.09 2k8y h ALA 32 Ca -0.48 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2k8y h ALA 32 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k8y h ALA 32 CO 0.64 -0.25 0.32 -0.44 0.00 0.00 0.00 179.25 179.52 2k8y h ASP 33 N -0.40 0.00 -0.08 0.00 3.32 -1.93 -0.79 116.42 116.54 2k8y h ASP 33 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k8y h ASP 33 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2k8y h ASP 33 CO 0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 2k8y n VAL 34 N -2.34 0.21 0.18 -1.35 0.24 -1.23 -4.56 118.33 109.48 2k8y n VAL 34 Ca -0.01 -0.60 0.03 0.00 -2.04 0.00 0.00 64.34 61.72 2k8y n VAL 34 Cb 0.35 1.08 0.42 0.00 -1.47 0.00 0.00 33.84 34.21 2k8y n VAL 34 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2k8y h VAL 35 N 2.13 1.19 0.00 3.34 3.04 -1.19 -3.47 116.25 121.29 2k8y h VAL 35 Ca 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 66.70 64.80 2k8y h VAL 35 Cb 0.52 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2k8y h VAL 35 CO 0.00 0.26 0.00 0.00 -1.01 0.00 0.00 177.57 176.82 2k8y n ALA 36 N -2.49 0.00 -2.36 3.17 0.00 -1.26 -4.44 120.51 113.13 2k8y n ALA 36 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 2k8y n ALA 36 Cb 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.66 2k8y n ALA 36 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2k8y s THR 37 N 0.00 1.62 0.28 0.00 -4.23 -1.24 -3.49 115.64 108.58 2k8y s THR 37 Ca 0.00 -2.16 0.01 0.00 -1.18 0.00 0.00 61.69 58.36 2k8y s THR 37 Cb 0.00 -2.16 0.27 0.00 1.34 0.00 0.00 72.50 71.95 2k8y s THR 37 CO 0.00 -0.51 1.81 0.11 -0.54 0.00 0.00 174.62 175.49 2k8y h LYS 38 N 2.49 0.84 -0.74 3.99 1.57 -1.80 -2.12 116.57 120.80 2k8y h LYS 38 Ca -0.38 -0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.44 2k8y h LYS 38 Cb 1.22 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 2k8y h LYS 38 CO 0.64 0.56 0.49 -0.22 -0.57 0.00 0.00 179.45 180.34 2k8y h LYS 39 N 0.87 0.62 0.23 3.15 1.63 -1.91 -1.39 116.57 119.76 2k8y h LYS 39 Ca 0.50 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.25 2k8y h LYS 39 Cb 0.59 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2k8y h LYS 39 CO -0.30 0.41 -0.11 1.25 -3.45 0.00 0.00 179.45 177.25 2k8y h HIS 40 N 0.64 -0.28 -0.15 1.91 2.76 -1.63 -1.72 115.15 116.67 2k8y h HIS 40 Ca 0.34 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.35 2k8y h HIS 40 Cb 0.48 0.09 0.01 0.00 1.55 0.00 0.00 27.41 29.54 2k8y h HIS 40 CO -0.00 -0.06 -0.52 0.28 -1.30 0.00 0.00 177.93 176.32 2k8y h VAL 41 N -0.45 1.33 0.00 5.26 2.07 -1.42 -2.38 116.25 120.65 2k8y h VAL 41 Ca -0.03 -1.78 -0.05 0.00 0.82 0.00 0.00 66.70 65.66 2k8y h VAL 41 Cb 0.34 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 2k8y h VAL 41 CO 0.05 0.55 -0.22 0.17 0.02 0.00 0.00 177.57 178.14 2k8y h LEU 42 N 0.29 0.00 -0.83 2.57 8.10 -1.35 -0.65 115.31 123.44 2k8y h LEU 42 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.93 2k8y h LEU 42 Cb 1.15 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.33 2k8y h LEU 42 CO 0.11 0.22 0.38 -0.74 -4.11 0.00 0.00 178.44 174.30 2k8y h HIS 43 N 0.00 1.21 -0.34 0.17 2.76 -1.23 -1.16 115.15 116.56 2k8y h HIS 43 Ca -0.00 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.04 2k8y h HIS 43 Cb 0.40 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 2k8y h HIS 43 CO 0.00 0.88 -0.03 0.00 -1.30 0.00 0.00 177.93 177.49 2k8y h ALA 44 N 1.20 0.46 -0.28 5.26 0.00 -0.64 -1.82 119.26 123.44 2k8y h ALA 44 Ca 0.28 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2k8y h ALA 44 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2k8y h ALA 44 CO -0.03 0.25 0.03 0.82 0.00 0.00 0.00 179.25 180.32 2k8y h ILE 45 N 0.41 1.24 -0.49 0.00 2.04 -1.20 -1.93 117.51 117.57 2k8y h ILE 45 Ca 0.09 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.22 2k8y h ILE 45 Cb 0.50 1.24 -0.08 0.00 -0.74 0.00 0.00 36.82 37.74 2k8y h ILE 45 CO 0.02 0.27 -0.02 -1.13 0.00 0.00 0.00 178.15 177.29 2k8y h ASN 46 N 0.28 -0.24 0.06 1.72 -0.73 -1.19 0.65 115.58 116.12 2k8y h ASN 46 Ca 0.08 0.12 -0.05 0.00 1.87 0.00 0.00 56.30 58.32 2k8y h ASN 46 Cb 0.36 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 2k8y h ASN 46 CO 0.01 -0.08 -0.16 1.56 -0.37 0.00 0.00 177.43 178.39 2k8y h GLN 47 N 0.10 0.21 0.00 6.67 1.08 -1.20 -1.72 115.11 120.25 2k8y h GLN 47 Ca 0.24 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 2k8y h GLN 47 Cb 0.37 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2k8y h GLN 47 CO -0.42 0.37 -0.16 0.00 -0.95 0.00 0.00 178.83 177.67 2k8y h ALA 48 N 1.65 0.91 0.04 3.87 0.00 -0.51 -1.16 119.26 124.05 2k8y h ALA 48 Ca 0.04 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 2k8y h ALA 48 Cb 0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2k8y h ALA 48 CO 0.02 0.21 -1.22 0.87 0.00 0.00 0.00 179.25 179.13 2k8y h LYS 49 N 0.00 0.09 0.00 0.00 1.57 -0.07 -3.39 116.57 114.77 2k8y h LYS 49 Ca -0.00 -0.15 -0.38 0.00 -1.87 0.00 0.00 60.65 58.25 2k8y h LYS 49 Cb 1.05 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.35 2k8y h LYS 49 CO 0.02 0.99 -2.42 -2.37 -0.57 0.00 0.00 179.45 175.10 2k8y n THR 50 N -3.36 1.43 -4.41 -0.16 5.66 -0.73 -5.02 114.28 107.68 2k8y n THR 50 Ca -0.06 -0.68 -0.27 0.00 -3.05 0.00 0.00 64.05 59.99 2k8y n THR 50 Cb 0.99 -1.03 -0.12 0.00 -1.55 0.00 0.00 70.33 68.62 2k8y n THR 50 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2k8y s LYS 51 N -2.50 1.54 -0.05 1.09 -0.14 -0.44 -5.11 119.74 114.13 2k8y s LYS 51 Ca -0.25 -1.48 -0.02 0.00 -1.36 0.00 0.00 55.97 52.86 2k8y s LYS 51 Cb 0.08 -1.87 0.04 0.00 -1.68 0.00 0.00 37.83 34.39 2k8y s LYS 51 CO 0.68 0.41 0.10 -1.59 -0.76 0.00 0.00 175.35 174.20 2k8y s LYS 52 N -2.59 0.00 0.00 1.68 0.00 -1.26 -4.17 119.74 113.40 2k8y s LYS 52 Ca 0.20 0.39 0.00 0.00 0.00 0.00 0.00 55.97 56.56 2k8y s LYS 52 Cb -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 37.83 37.45 2k8y s LYS 52 CO 0.10 -0.25 0.00 -0.35 0.00 0.00 0.00 175.35 174.85 2k8y n PRO 53 N 4.79 0.00 -1.50 1.78 -0.04 -1.26 -4.98 135.00 133.78 2k8y n PRO 53 Ca -0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.23 2k8y n PRO 53 Cb 0.50 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.06 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 0.00 2.07 -2.71 0.52 2.08 -1.26 -5.06 119.36 115.00 2k8y n ILE 54 Ca 0.00 -3.44 -0.30 0.00 0.56 0.00 0.00 62.75 59.57 2k8y n ILE 54 Cb 0.00 -0.37 -0.02 0.00 -0.75 0.00 0.00 39.64 38.50 2k8y n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k8y s ALA 55 N -3.17 3.34 0.06 -1.39 0.00 -1.26 -5.03 121.76 114.30 2k8y s ALA 55 Ca 0.42 -0.26 -0.28 0.00 0.00 0.00 0.00 51.96 51.84 2k8y s ALA 55 Cb 0.38 -2.71 -0.17 0.00 0.00 0.00 0.00 23.12 20.62 2k8y s ALA 55 CO -0.03 -0.16 1.54 0.87 0.00 0.00 0.00 175.76 177.98 2k8y h LYS 56 N 0.85 -0.45 0.00 0.00 1.79 -1.97 -3.48 116.57 113.31 2k8y h LYS 56 Ca -0.47 0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 57.95 2k8y h LYS 56 Cb 1.19 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2k8y h LYS 56 CO 0.63 -0.23 0.10 0.45 -1.08 0.00 0.00 179.45 179.32 2k8y n SER 57 N -5.24 -1.41 0.45 0.86 2.88 -1.26 -5.05 113.62 104.84 2k8y n SER 57 Ca -0.10 -2.20 -0.20 0.00 -1.33 0.00 0.00 58.87 55.04 2k8y n SER 57 Cb 0.23 2.42 -0.10 0.00 -0.75 0.00 0.00 64.21 66.01 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 1.71 -1.27 0.00 0.66 3.57 -1.93 0.79 116.94 120.47 2k8y h PHE 58 Ca -0.22 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.24 2k8y h PHE 58 Cb 0.86 0.44 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 2k8y h PHE 58 CO 0.00 -0.73 -0.11 -1.49 -2.23 0.00 0.00 178.31 173.75 2k8y h TRP 59 N -1.23 0.00 0.00 0.41 4.06 -1.97 -1.26 115.95 115.96 2k8y h TRP 59 Ca -0.11 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.73 2k8y h TRP 59 Cb 0.97 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.11 2k8y h TRP 59 CO -0.07 0.11 -0.52 0.52 -3.56 0.00 0.00 178.44 174.92 2k8y h MET 60 N 0.00 0.00 -0.05 0.49 2.86 -1.92 -3.24 114.93 113.06 2k8y h MET 60 Ca -0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 2k8y h MET 60 Cb 0.39 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.07 2k8y h MET 60 CO 0.01 0.52 -0.82 1.49 1.06 0.00 0.00 176.91 179.17 2k8y h GLU 61 N 0.00 0.65 -0.86 1.72 4.22 0.31 -3.21 114.58 117.41 2k8y h GLU 61 Ca -0.01 -0.63 -0.02 0.00 0.08 0.00 0.00 59.36 58.79 2k8y h GLU 61 Cb 1.26 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.63 2k8y h GLU 61 CO 0.07 1.23 0.47 0.82 -2.18 0.00 0.00 179.01 179.43 2k8y h ILE 62 N 0.31 1.25 -0.07 2.32 2.04 -1.45 -0.18 117.51 121.73 2k8y h ILE 62 Ca -0.09 -0.62 -0.16 0.00 1.00 0.00 0.00 64.86 64.99 2k8y h ILE 62 Cb 1.48 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2k8y h ILE 62 CO 0.16 0.28 -0.65 0.17 0.00 0.00 0.00 178.15 178.11 2k8y h LEU 63 N 1.21 0.34 -0.34 1.44 8.10 -1.65 -1.55 115.31 122.86 2k8y h LEU 63 Ca 0.30 -0.21 -0.13 0.00 0.11 0.00 0.00 57.88 57.96 2k8y h LEU 63 Cb 0.03 -0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.13 2k8y h LEU 63 CO -0.05 0.90 -0.60 -0.37 -4.11 0.00 0.00 178.44 174.21 2k8y h VAL 64 N 0.21 1.13 0.57 0.15 -1.51 -1.50 -3.10 116.25 112.20 2k8y h VAL 64 Ca -0.01 -2.30 -0.03 0.00 -1.23 0.00 0.00 66.70 63.12 2k8y h VAL 64 Cb 1.19 2.36 0.01 0.00 -2.13 0.00 0.00 31.29 32.72 2k8y h VAL 64 CO 0.10 0.59 -0.27 0.03 -1.23 0.00 0.00 177.57 176.79 2k8y h ARG 65 N 0.00 -0.74 0.00 5.19 2.47 -0.85 -0.33 114.38 120.12 2k8y h ARG 65 Ca -0.01 0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2k8y h ARG 65 Cb 1.31 0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.80 2k8y h ARG 65 CO 0.08 -0.49 -0.03 0.00 0.56 0.00 0.00 179.97 180.08 2k8y h ALA 66 N -1.48 1.72 0.02 0.04 0.00 -1.39 -1.77 119.26 116.39 2k8y h ALA 66 Ca -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k8y h ALA 66 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k8y h ALA 66 CO 0.13 0.04 -0.01 0.66 0.00 0.00 0.00 179.25 180.07 2k8y h SER 67 N 0.00 -0.02 0.00 0.00 4.64 -1.67 -3.49 113.55 113.01 2k8y h SER 67 Ca -0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2k8y h SER 67 Cb 0.06 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2k8y h SER 67 CO 0.00 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 2k8y n GLY 68 N 1.69 1.06 0.15 -0.77 0.00 -0.15 -4.71 105.19 102.47 2k8y n GLY 68 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 2k8y n GLY 68 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2k8y h GLN 69 N 2.31 0.00 0.00 1.61 5.75 -1.81 -3.47 115.11 119.50 2k8y h GLN 69 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2k8y h GLN 69 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2k8y h GLN 69 CO 0.00 0.48 0.00 0.54 -2.65 0.00 0.00 178.83 177.20 2k8y n ARG 70 N -3.26 0.00 -3.55 1.69 3.00 -1.21 -4.96 116.66 108.37 2k8y n ARG 70 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.47 2k8y n ARG 70 Cb 0.70 -3.15 -0.11 0.00 0.00 0.00 0.00 32.46 29.91 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 0.00 3.81 0.09 5.56 -1.52 -1.26 -4.83 119.66 121.52 2k8y s GLN 71 Ca 0.00 -0.38 -0.35 0.00 -1.95 0.00 0.00 55.36 52.68 2k8y s GLN 71 Cb 0.00 -3.71 -0.16 0.00 -0.22 0.00 0.00 33.01 28.92 2k8y s GLN 71 CO 0.00 -0.28 1.56 0.82 -0.25 0.00 0.00 175.29 177.15 2k8y h ILE 72 N 5.41 0.02 -0.44 1.08 1.08 -1.93 -1.01 117.51 121.73 2k8y h ILE 72 Ca -0.33 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 2k8y h ILE 72 Cb 1.18 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 2k8y h ILE 72 CO 0.59 0.00 0.23 0.45 -0.69 0.00 0.00 178.15 178.73 2k8y h HIS 73 N -0.90 0.61 -0.29 1.37 3.86 -1.98 -2.07 115.15 115.75 2k8y h HIS 73 Ca -0.04 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2k8y h HIS 73 Cb 0.82 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.07 2k8y h HIS 73 CO -0.34 0.47 0.12 0.93 0.86 0.00 0.00 177.93 179.97 2k8y h GLU 74 N 0.57 0.26 -0.91 2.45 3.07 -1.99 -2.17 114.58 115.86 2k8y h GLU 74 Ca 0.15 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.03 2k8y h GLU 74 Cb 0.07 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 27.87 2k8y h GLU 74 CO -0.02 0.17 0.60 0.00 -1.40 0.00 0.00 179.01 178.36 2k8y h ALA 75 N 1.17 1.40 -0.19 3.43 0.00 -0.70 -0.72 119.26 123.66 2k8y h ALA 75 Ca 0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2k8y h ALA 75 Cb 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2k8y h ALA 75 CO -0.11 0.52 -0.33 0.82 0.00 0.00 0.00 179.25 180.15 2k8y h ILE 76 N 1.17 1.28 -0.03 0.00 2.04 -1.10 -0.54 117.51 120.34 2k8y h ILE 76 Ca 0.35 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 2k8y h ILE 76 Cb -0.03 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2k8y h ILE 76 CO -0.10 0.43 -0.02 0.11 0.00 0.00 0.00 178.15 178.57 2k8y h LYS 77 N 0.33 0.07 0.45 2.37 1.79 -0.74 -1.38 116.57 119.46 2k8y h LYS 77 Ca 0.04 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2k8y h LYS 77 Cb 0.74 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2k8y h LYS 77 CO 0.06 0.48 -0.22 0.82 -1.08 0.00 0.00 179.45 179.51 2k8y h ILE 78 N -0.35 0.00 -0.32 1.86 2.04 -1.10 -3.38 117.51 116.26 2k8y h ILE 78 Ca 0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2k8y h ILE 78 Cb 0.46 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2k8y h ILE 78 CO 0.01 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.46 2k8y n ILE 79 N -4.00 1.71 -1.27 -0.67 -5.35 -0.22 -4.98 119.36 104.58 2k8y n ILE 79 Ca -0.07 -1.46 -0.29 0.00 -0.27 0.00 0.00 62.75 60.65 2k8y n ILE 79 Cb 0.24 0.09 0.19 0.00 -1.74 0.00 0.00 39.64 38.42 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 -1.47 1.59 0.37 3.28 0.00 -0.52 -1.16 107.32 109.41 2k8y s GLY 80 Ca 0.34 -0.67 -0.24 0.00 0.00 0.00 0.00 44.72 44.15 2k8y s GLY 80 CO 0.13 0.04 0.96 0.00 0.00 0.00 0.00 173.10 174.22 2k8y s ALA 81 N -3.11 3.13 0.06 3.20 0.00 -1.24 -2.72 121.76 121.08 2k8y s ALA 81 Ca 0.68 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.96 2k8y s ALA 81 Cb -0.14 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.84 2k8y s ALA 81 CO 0.56 0.11 0.41 -1.59 0.00 0.00 0.00 175.76 175.25 2k8y s LYS 82 N -2.51 0.94 0.64 0.00 -2.85 -1.26 -4.95 119.74 109.75 2k8y s LYS 82 Ca 0.55 -0.42 -0.17 0.00 -1.00 0.00 0.00 55.97 54.93 2k8y s LYS 82 Cb -0.16 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.02 2k8y s LYS 82 CO 0.20 -0.33 1.19 0.16 0.10 0.00 0.00 175.35 176.67 2k8y s ASP 83 N -2.13 4.90 0.00 0.03 -4.77 -1.26 -4.50 116.67 108.95 2k8y s ASP 83 Ca -0.04 2.31 0.00 0.00 -3.30 0.00 0.00 52.55 51.52 2k8y s ASP 83 Cb -0.00 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 2k8y s ASP 83 CO -0.04 -1.78 0.00 0.61 0.70 0.00 0.00 175.17 174.66 2k8y n GLY 84 N 0.31 0.89 3.58 2.12 0.00 -0.40 -4.89 105.19 106.80 2k8y n GLY 84 Ca 0.13 -1.16 -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 6.41 0.17 1.61 0.02 -1.26 -1.06 114.94 116.82 2k8y s ASN 85 Ca 0.00 0.12 0.01 0.00 -1.02 0.00 0.00 52.86 51.97 2k8y s ASN 85 Cb 0.00 -2.55 -0.05 0.00 0.02 0.00 0.00 41.25 38.67 2k8y s ASN 85 CO 0.00 -1.51 0.01 0.54 0.02 0.00 0.00 177.10 176.16 2k8y s VAL 86 N 5.09 0.58 -0.13 1.60 0.11 -0.54 -3.18 120.40 123.92 2k8y s VAL 86 Ca 0.44 -1.97 0.01 0.00 -2.93 0.00 0.00 61.98 57.53 2k8y s VAL 86 Cb -0.08 -2.10 0.02 0.00 -1.53 0.00 0.00 36.38 32.69 2k8y s VAL 86 CO 0.25 -0.48 -0.13 0.00 -3.33 0.00 0.00 175.10 171.41 2k8y s LEU 88 N 1.41 3.89 -0.21 0.00 2.96 -0.26 -1.43 118.68 125.04 2k8y s LEU 88 Ca 0.02 0.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.87 2k8y s LEU 88 Cb -0.13 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 2k8y s LEU 88 CO -0.08 0.08 0.15 -0.63 -1.32 0.00 0.00 176.35 174.55 2k8y s ILE 89 N 0.93 5.39 -0.03 6.68 1.01 0.01 -1.98 121.20 133.21 2k8y s ILE 89 Ca 0.06 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.76 2k8y s ILE 89 Cb -0.13 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 38.88 2k8y s ILE 89 CO 0.03 0.41 0.34 0.00 0.00 0.00 0.00 174.94 175.72 2k8y h GLU 91 N 3.94 0.32 -6.80 0.00 4.39 -1.86 -0.95 114.58 113.62 2k8y h GLU 91 Ca -0.29 -0.55 -0.69 0.00 0.34 0.00 0.00 59.36 58.17 2k8y h GLU 91 Cb 1.17 0.20 -0.24 0.00 -0.10 0.00 0.00 28.75 29.78 2k8y h GLU 91 CO 0.39 1.26 -0.87 -0.51 -1.16 0.00 0.00 179.01 178.12 2k8y s ASP 92 N -7.16 3.26 0.32 1.42 1.01 -1.26 -4.73 116.67 109.54 2k8y s ASP 92 Ca -0.18 -0.65 0.05 0.00 0.71 0.00 0.00 52.55 52.48 2k8y s ASP 92 Cb 0.05 -0.28 0.69 0.00 1.01 0.00 0.00 42.92 44.39 2k8y s ASP 92 CO 0.81 0.23 1.87 -0.33 0.21 0.00 0.00 175.17 177.95 2k8y h GLU 93 N 4.40 0.82 -0.14 8.23 5.08 -1.99 -0.35 114.58 130.63 2k8y h GLU 93 Ca -0.48 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 2k8y h GLU 93 Cb 1.15 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2k8y h GLU 93 CO 0.42 0.54 -0.13 1.05 -1.00 0.00 0.00 179.01 179.89 2k8y h GLU 94 N 0.84 0.33 -0.49 2.33 4.11 -2.00 -2.26 114.58 117.45 2k8y h GLU 94 Ca 0.45 -0.17 -0.01 0.00 0.07 0.00 0.00 59.36 59.70 2k8y h GLU 94 Cb 0.56 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2k8y h GLU 94 CO -0.22 0.72 0.25 1.15 0.07 0.00 0.00 179.01 180.99 2k8y h THR 95 N -0.05 1.16 -0.25 -1.06 2.02 -1.92 -1.86 112.91 110.96 2k8y h THR 95 Ca 0.02 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2k8y h THR 95 Cb 0.66 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2k8y h THR 95 CO 0.03 0.18 0.08 0.15 0.37 0.00 0.00 175.52 176.33 2k8y h PHE 96 N 0.67 0.39 -0.37 3.16 3.57 -0.96 -2.34 116.94 121.07 2k8y h PHE 96 Ca 0.17 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2k8y h PHE 96 Cb 0.04 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2k8y h PHE 96 CO 0.00 0.44 0.04 0.00 -2.23 0.00 0.00 178.31 176.56 2k8y h ARG 97 N 0.24 0.56 -0.26 1.11 3.08 -0.92 -0.54 114.38 117.65 2k8y h ARG 97 Ca 0.08 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2k8y h ARG 97 Cb 0.22 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2k8y h ARG 97 CO -0.00 0.56 0.02 0.87 -1.07 0.00 0.00 179.97 180.34 2k8y h LYS 98 N 0.54 0.45 -0.09 0.04 1.57 -1.18 -1.68 116.57 116.22 2k8y h LYS 98 Ca 0.12 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2k8y h LYS 98 Cb 0.29 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2k8y h LYS 98 CO 0.00 0.60 -0.18 0.82 -0.57 0.00 0.00 179.45 180.12 2k8y h ILE 99 N 0.25 1.40 -0.71 1.86 1.08 -1.20 -3.18 117.51 117.01 2k8y h ILE 99 Ca 0.08 -1.47 0.14 0.00 -0.39 0.00 0.00 64.86 63.22 2k8y h ILE 99 Cb 0.38 2.13 -0.04 0.00 -3.07 0.00 0.00 36.82 36.22 2k8y h ILE 99 CO 0.01 0.42 0.48 0.22 -0.69 0.00 0.00 178.15 178.59 2k8y h TYR 100 N -0.16 0.44 0.04 1.37 3.20 -1.14 -1.76 116.97 118.95 2k8y h TYR 100 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2k8y h TYR 100 Cb 0.77 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.90 2k8y h TYR 100 CO 0.11 0.18 -0.02 1.49 -1.64 0.00 0.00 178.16 178.28 2k8y h GLU 101 N 0.39 -0.05 0.00 1.82 4.81 -1.29 -1.02 114.58 119.24 2k8y h GLU 101 Ca 0.34 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.47 2k8y h GLU 101 Cb 0.80 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 2k8y h GLU 101 CO -0.10 0.10 -0.52 -0.07 -0.73 0.00 0.00 179.01 177.69 2k8y h LEU 102 N -0.19 0.00 0.00 1.64 -0.00 -1.36 -3.27 115.31 112.12 2k8y h LEU 102 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2k8y h LEU 102 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.83 2k8y h LEU 102 CO 0.01 0.52 -0.03 0.16 -0.00 0.00 0.00 178.44 179.10 2k8y h ILE 103 N 0.00 1.69 -2.30 1.22 3.07 -1.42 -3.44 117.51 116.33 2k8y h ILE 103 Ca -0.01 -2.28 0.00 0.00 1.55 0.00 0.00 64.86 64.13 2k8y h ILE 103 Cb 1.28 3.21 0.00 0.00 -0.27 0.00 0.00 36.82 41.04 2k8y h ILE 103 CO 0.07 0.57 -0.45 0.61 -1.05 0.00 0.00 178.15 177.90 2k8y n GLY 104 N 1.61 -4.34 0.00 0.16 0.00 -0.39 -1.35 105.19 100.90 2k8y n GLY 104 Ca -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.62 3.26 -0.02 0.00 -1.26 -3.39 105.19 103.65 2k8y n GLY 105 Ca 0.00 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.96 1.50 0.06 1.61 2.12 -0.39 -4.98 118.70 117.66 2k8y s GLU 106 Ca 0.00 -0.92 -0.22 0.00 0.36 0.00 0.00 54.97 54.18 2k8y s GLU 106 Cb 0.00 -1.59 -0.06 0.00 0.26 0.00 0.00 34.13 32.74 2k8y s GLU 106 CO 0.00 0.41 0.67 0.42 -0.54 0.00 0.00 175.26 176.23 2k8y s ILE 107 N -0.74 4.73 -0.20 -3.70 -1.09 -1.26 -0.18 121.20 118.75 2k8y s ILE 107 Ca 0.08 1.43 -0.03 0.00 -2.23 0.00 0.00 60.65 59.90 2k8y s ILE 107 Cb -0.09 -4.02 0.06 0.00 -1.58 0.00 0.00 42.46 36.84 2k8y s ILE 107 CO 0.01 0.45 0.05 1.51 -1.23 0.00 0.00 174.94 175.73 2k8y s ASP 108 N -0.50 2.90 0.49 3.58 -4.77 -0.29 -4.90 116.67 113.18 2k8y s ASP 108 Ca 0.34 -0.85 0.25 0.00 -3.30 0.00 0.00 52.55 48.99 2k8y s ASP 108 Cb -0.20 -0.53 1.29 0.00 -1.09 0.00 0.00 42.92 42.38 2k8y s ASP 108 CO 0.21 -0.33 2.01 0.44 0.70 0.00 0.00 175.17 178.20 2k8y h ASP 109 N 8.27 0.00 -1.01 2.11 5.19 -1.98 -3.24 116.42 125.77 2k8y h ASP 109 Ca -0.16 0.00 0.29 0.00 -0.62 0.00 0.00 57.03 56.54 2k8y h ASP 109 Cb 1.11 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.49 2k8y h ASP 109 CO 0.34 0.16 0.59 0.28 -3.12 0.00 0.00 179.24 177.50 2k8y h SER 110 N 0.00 0.58 -0.25 6.45 0.02 -1.95 -0.22 113.55 118.19 2k8y h SER 110 Ca -0.00 0.16 -0.16 0.00 -0.84 0.00 0.00 61.79 60.95 2k8y h SER 110 Cb 0.43 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2k8y h SER 110 CO 0.02 -0.02 -0.46 1.62 -1.14 0.00 0.00 176.83 176.85 2k8y h VAL 111 N 0.43 1.30 -0.06 2.27 3.04 -1.94 -3.21 116.25 118.08 2k8y h VAL 111 Ca 0.69 -1.66 -0.09 0.00 -1.01 0.00 0.00 66.70 64.63 2k8y h VAL 111 Cb 1.50 1.74 -0.01 0.00 -2.01 0.00 0.00 31.29 32.51 2k8y h VAL 111 CO -0.53 0.53 -0.36 -0.07 -1.01 0.00 0.00 177.57 176.13 2k8y h LEU 112 N 0.48 0.12 -1.57 3.16 3.38 -1.38 -3.21 115.31 116.29 2k8y h LEU 112 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k8y h LEU 112 Cb 1.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2k8y h LEU 112 CO 0.10 0.48 0.00 -1.84 0.09 0.00 0.00 178.44 177.28 2k8y n GLU 113 N -4.08 2.06 -0.79 1.13 0.28 -0.23 -3.61 120.64 115.41 2k8y n GLU 113 Ca -0.02 -1.57 0.00 0.00 -0.16 0.00 0.00 57.16 55.42 2k8y n GLU 113 Cb 0.42 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.83 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 0.86 -3.70 -3.93 3.84 2.08 -1.21 -5.00 119.36 112.29 2k8y n ILE 114 Ca 0.17 1.04 -0.10 0.00 0.56 0.00 0.00 62.75 64.42 2k8y n ILE 114 Cb 0.48 -2.28 -0.02 0.00 -0.75 0.00 0.00 39.64 37.07 2k8y n ILE 114 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2k8y n ASN 115 N 0.10 -0.91 -0.03 4.38 0.23 -1.26 -5.01 115.26 112.76 2k8y n ASN 115 Ca 0.00 -2.33 -0.09 0.00 -0.53 0.00 0.00 54.58 51.62 2k8y n ASN 115 Cb 0.00 1.72 -0.03 0.00 -2.08 0.00 0.00 39.78 39.38 2k8y n ASN 115 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2k8y h GLU 116 N 0.00 0.05 0.13 -3.83 5.08 -1.98 -0.77 114.58 113.25 2k8y h GLU 116 Ca -0.19 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2k8y h GLU 116 Cb 0.83 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2k8y h GLU 116 CO 0.25 0.03 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.78 2k8y h ASP 117 N 0.05 -0.17 -0.10 1.42 5.19 -2.00 -2.08 116.42 118.73 2k8y h ASP 117 Ca 0.08 0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.34 2k8y h ASP 117 Cb 0.10 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2k8y h ASP 117 CO -0.13 -0.12 -0.49 0.11 -3.12 0.00 0.00 179.24 175.49 2k8y h LYS 118 N -0.19 0.66 -0.27 3.56 6.56 -1.87 -3.11 116.57 121.92 2k8y h LYS 118 Ca -0.01 -0.39 -0.18 0.00 -1.06 0.00 0.00 60.65 59.00 2k8y h LYS 118 Cb 0.15 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.84 2k8y h LYS 118 CO 0.02 1.00 -0.56 1.49 -2.06 0.00 0.00 179.45 179.34 2k8y h GLU 119 N 0.52 0.82 -0.17 3.15 4.81 -0.96 -1.47 114.58 121.28 2k8y h GLU 119 Ca 0.02 -0.52 -0.14 0.00 -0.13 0.00 0.00 59.36 58.59 2k8y h GLU 119 Cb 1.04 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2k8y h GLU 119 CO 0.10 1.15 -0.46 0.07 -0.73 0.00 0.00 179.01 179.14 2k8y h ARG 120 N 0.62 0.61 -0.25 1.92 0.11 -1.47 -3.10 114.38 112.82 2k8y h ARG 120 Ca 0.01 -0.43 -0.08 0.00 0.10 0.00 0.00 59.98 59.58 2k8y h ARG 120 Cb 1.16 0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.29 2k8y h ARG 120 CO 0.12 1.05 -0.18 1.37 0.10 0.00 0.00 179.97 182.43 2k8y h LEU 121 N 0.27 0.44 -2.00 0.08 8.10 -1.50 -1.86 115.31 118.84 2k8y h LEU 121 Ca -0.01 -0.12 0.05 0.00 0.11 0.00 0.00 57.88 57.90 2k8y h LEU 121 Cb 1.08 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 41.17 2k8y h LEU 121 CO 0.10 0.64 0.12 0.40 -4.11 0.00 0.00 178.44 175.59 2k8y h ILE 122 N 0.41 0.92 -0.28 0.15 2.04 -1.28 -0.52 117.51 118.95 2k8y h ILE 122 Ca 0.07 -0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.79 2k8y h ILE 122 Cb 0.55 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2k8y h ILE 122 CO 0.04 0.00 -0.39 -0.09 0.00 0.00 0.00 178.15 177.71 2k8y h ARG 123 N 0.00 0.65 0.58 2.37 1.12 -1.26 -1.55 114.38 116.30 2k8y h ARG 123 Ca 0.08 -0.33 -0.03 0.00 -1.11 0.00 0.00 59.98 58.59 2k8y h ARG 123 Cb 0.32 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.29 2k8y h ARG 123 CO -0.00 0.93 -0.28 1.49 -3.11 0.00 0.00 179.97 179.00 2k8y h GLU 124 N 0.54 -0.75 -0.01 0.20 4.81 -1.01 -0.26 114.58 118.10 2k8y h GLU 124 Ca 0.05 0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 2k8y h GLU 124 Cb 0.91 0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.47 2k8y h GLU 124 CO 0.08 -0.50 -0.50 -0.84 -0.73 0.00 0.00 179.01 176.53 2k8y h ILE 125 N -0.78 1.45 0.07 2.32 -2.65 -1.59 -3.36 117.51 112.97 2k8y h ILE 125 Ca -0.08 -2.01 -0.26 0.00 1.03 0.00 0.00 64.86 63.53 2k8y h ILE 125 Cb 0.60 2.60 -0.01 0.00 -2.05 0.00 0.00 36.82 37.95 2k8y h ILE 125 CO 0.13 0.58 -1.27 -0.26 0.03 0.00 0.00 178.15 177.36 2k8y h PHE 126 N -0.19 0.28 -4.90 0.16 0.04 -1.42 -3.50 116.94 107.42 2k8y h PHE 126 Ca -0.06 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.51 2k8y h PHE 126 Cb 1.21 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.35 2k8y h PHE 126 CO 0.15 1.19 -0.26 1.63 -0.60 0.00 0.00 178.31 180.42 2k8y n LYS 127 N -3.41 -1.64 -4.31 1.51 4.76 -0.11 -5.04 118.16 109.93 2k8y n LYS 127 Ca -0.08 1.65 -0.24 0.00 -2.87 0.00 0.00 58.31 56.76 2k8y n LYS 127 Cb 1.00 -4.96 -0.12 0.00 -1.84 0.00 0.00 35.03 29.11 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 -2.57 1.80 0.00 -0.18 1.01 -1.26 -5.09 121.20 114.91 2k8y s ILE 128 Ca 0.13 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 59.13 2k8y s ILE 128 Cb -0.04 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.77 2k8y s ILE 128 CO 0.63 -0.10 0.00 -1.14 0.00 0.00 0.00 174.94 174.33 2k8y n ARG 129 N 0.89 0.00 0.00 2.79 3.00 -1.26 -4.94 116.66 117.14 2k8y n ARG 129 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 2k8y n ARG 129 Cb 0.54 -0.42 0.00 0.00 0.00 0.00 0.00 32.46 32.58 2k8y n ARG 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k8y n GLY 130 N 0.26 -0.22 2.18 5.14 0.00 -1.26 -5.12 105.19 106.17 2k8y n GLY 130 Ca 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 2k8y n GLY 130 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k8y n PHE 131 N 0.00 -3.00 0.00 1.61 7.35 -1.26 -4.85 117.46 117.31 2k8y n PHE 131 Ca 0.00 1.75 0.00 0.00 -0.76 0.00 0.00 57.45 58.44 2k8y n PHE 131 Cb 0.00 -3.12 0.00 0.00 0.35 0.00 0.00 39.48 36.71 2k8y n PHE 131 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2k8y n GLY 132 N 1.13 0.94 3.40 7.13 0.00 -1.26 -4.94 105.19 111.59 2k8y n GLY 132 Ca -0.25 -1.28 -0.20 0.00 0.00 0.00 0.00 46.02 44.29 2k8y n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8y s ASN 133 N -4.00 2.44 0.35 1.61 6.03 -1.26 -5.06 114.94 115.05 2k8y s ASN 133 Ca 0.00 -1.22 0.27 0.00 -1.03 0.00 0.00 52.86 50.88 2k8y s ASN 133 Cb 0.00 -0.11 1.06 0.00 -3.03 0.00 0.00 41.25 39.17 2k8y s ASN 133 CO 0.00 -0.42 1.80 1.62 -2.03 0.00 0.00 177.10 178.07 2k8y h VAL 134 N 2.32 0.00 -0.03 3.54 3.04 -1.93 -3.23 116.25 119.97 2k8y h VAL 134 Ca -0.39 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 64.91 2k8y h VAL 134 Cb 1.23 1.23 -0.00 0.00 -2.01 0.00 0.00 31.29 31.74 2k8y h VAL 134 CO 0.67 0.00 -0.02 0.58 -1.01 0.00 0.00 177.57 177.79 2k8y h VAL 135 N 0.00 1.34 -0.65 1.51 2.07 -1.97 -0.38 116.25 118.17 2k8y h VAL 135 Ca 0.00 -1.04 0.11 0.00 0.82 0.00 0.00 66.70 66.59 2k8y h VAL 135 Cb 0.47 1.98 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 2k8y h VAL 135 CO 0.00 0.28 0.23 -0.33 0.02 0.00 0.00 177.57 177.77 2k8y h GLU 136 N -0.34 0.38 -0.13 1.57 5.08 -1.98 -2.63 114.58 116.53 2k8y h GLU 136 Ca 0.01 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 2k8y h GLU 136 Cb 0.46 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2k8y h GLU 136 CO 0.01 0.25 -0.78 0.00 -1.00 0.00 0.00 179.01 177.49 2k8y h ARG 137 N 0.39 0.71 -0.08 2.33 2.47 -1.57 -2.40 114.38 116.23 2k8y h ARG 137 Ca 0.34 -0.59 -0.22 0.00 -1.26 0.00 0.00 59.98 58.26 2k8y h ARG 137 Cb 0.47 0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.92 2k8y h ARG 137 CO -0.35 1.20 -0.80 -0.24 0.56 0.00 0.00 179.97 180.34 2k8y h VAL 138 N 0.48 1.31 -0.68 2.04 3.04 -1.02 0.08 116.25 121.50 2k8y h VAL 138 Ca -0.05 -2.05 0.07 0.00 -1.01 0.00 0.00 66.70 63.67 2k8y h VAL 138 Cb 1.40 2.22 -0.06 0.00 -2.01 0.00 0.00 31.29 32.84 2k8y h VAL 138 CO 0.16 0.63 0.35 -0.07 -1.01 0.00 0.00 177.57 177.63 2k8y h LEU 139 N 0.34 0.49 -0.20 3.16 4.07 -1.47 -2.01 115.31 119.70 2k8y h LEU 139 Ca -0.08 0.05 -0.22 0.00 0.08 0.00 0.00 57.88 57.70 2k8y h LEU 139 Cb 1.45 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 43.15 2k8y h LEU 139 CO 0.16 0.30 -0.84 -0.33 -1.08 0.00 0.00 178.44 176.65 2k8y h GLU 140 N 0.63 0.61 -0.61 1.13 4.39 -1.42 -3.26 114.58 116.05 2k8y h GLU 140 Ca 0.32 -0.55 -0.10 0.00 0.34 0.00 0.00 59.36 59.37 2k8y h GLU 140 Cb 0.27 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2k8y h GLU 140 CO -0.22 1.17 -0.00 -0.22 -1.16 0.00 0.00 179.01 178.57 2k8y h LYS 141 N 0.39 1.09 0.00 2.33 3.64 -0.61 -0.08 116.57 123.33 2k8y h LYS 141 Ca -0.07 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2k8y h LYS 141 Cb 1.47 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2k8y h LYS 141 CO 0.16 1.06 0.00 -0.84 -2.27 0.00 0.00 179.45 177.56 2k8y h ILE 142 N 0.99 0.00 -0.44 2.00 3.07 -1.49 -1.98 117.51 119.66 2k8y h ILE 142 Ca 0.17 -0.59 0.00 0.00 1.55 0.00 0.00 64.86 65.99 2k8y h ILE 142 Cb 0.57 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 2k8y h ILE 142 CO 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.13 2k8y n ALA 143 N -2.03 2.83 0.57 0.16 0.00 -0.93 -4.60 120.51 116.50 2k8y n ALA 143 Ca 0.02 -1.71 0.02 0.00 0.00 0.00 0.00 53.44 51.77 2k8y n ALA 143 Cb 0.36 -0.75 0.11 0.00 0.00 0.00 0.00 19.45 19.16 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 0.41 2.17 0.13 0.00 0.00 -0.09 -3.57 117.00 116.06 2k8y n LEU 144 Ca 0.20 -1.10 -0.02 0.00 0.00 0.00 0.00 56.01 55.10 2k8y n LEU 144 Cb 0.77 -0.52 0.17 0.00 0.00 0.00 0.00 43.42 43.84 2k8y n LEU 144 CO 0.17 0.34 0.49 0.40 0.00 0.00 0.00 177.39 178.80 2k8y h ILE 145 N 1.08 1.44 0.00 1.96 1.08 -1.81 -1.92 117.51 119.34 2k8y h ILE 145 Ca 0.00 -2.11 0.00 0.00 -0.39 0.00 0.00 64.86 62.36 2k8y h ILE 145 Cb 0.85 2.13 0.00 0.00 -3.07 0.00 0.00 36.82 36.73 2k8y h ILE 145 CO 0.12 0.60 0.00 1.05 -0.69 0.00 0.00 178.15 179.24 2k8y h GLU 146 N 0.01 0.00 -2.80 2.37 4.11 -1.97 -3.47 114.58 112.84 2k8y h GLU 146 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2k8y h GLU 146 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2k8y h GLU 146 CO 0.08 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.44 2k8y n LEU 147 N -2.65 -1.86 0.00 3.06 4.77 -0.72 -5.10 117.00 114.49 2k8y n LEU 147 Ca 0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 2k8y n LEU 147 Cb 0.22 -0.81 0.21 0.00 -2.33 0.00 0.00 43.42 40.71 2k8y n LEU 147 CO 0.21 0.00 0.56 0.29 -1.33 0.00 0.00 177.39 177.12 2k8y n LYS 148 N -1.06 -2.51 -1.08 3.23 5.02 -1.26 -5.02 118.16 115.48 2k8y n LYS 148 Ca 0.00 -1.53 -0.07 0.00 -2.02 0.00 0.00 58.31 54.69 2k8y n LYS 148 Cb 0.47 -1.35 0.15 0.00 -0.02 0.00 0.00 35.03 34.28 2k8y n LYS 148 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k8y n LYS 149 N -4.16 2.26 0.00 1.97 4.81 -1.26 -5.11 118.16 116.67 2k8y n LYS 149 Ca 0.13 -3.51 0.14 0.00 -0.87 0.00 0.00 58.31 54.21 2k8y n LYS 149 Cb 0.50 -1.89 0.62 0.00 0.02 0.00 0.00 35.03 34.27 2k8y n LYS 149 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96