#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 -0.06 0.27 4.61 0.00 -1.26 -4.96 121.76 120.35 2k8y s ALA 2 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 2k8y s ALA 2 Cb 0.00 1.02 0.39 0.00 0.00 0.00 0.00 23.12 24.53 2k8y s ALA 2 CO 0.00 -0.87 1.90 0.00 0.00 0.00 0.00 175.76 176.79 2k8y h MET 3 N 2.15 1.17 -3.15 0.00 -0.00 -2.06 -3.33 114.93 109.72 2k8y h MET 3 Ca -0.27 -0.07 -0.59 0.00 -0.00 0.00 0.00 59.70 58.76 2k8y h MET 3 Cb 1.25 -0.26 -0.40 0.00 -0.00 0.00 0.00 31.60 32.18 2k8y h MET 3 CO 0.37 0.78 -0.76 -0.51 -0.00 0.00 0.00 176.91 176.78 2k8y s ASP 4 N -5.97 3.70 0.08 -0.10 1.01 -1.26 -4.94 116.67 109.20 2k8y s ASP 4 Ca -0.12 -2.16 -0.28 0.00 0.71 0.00 0.00 52.55 50.70 2k8y s ASP 4 Cb 0.20 -0.87 -0.17 0.00 1.01 0.00 0.00 42.92 43.09 2k8y s ASP 4 CO 0.81 -0.33 1.68 1.55 0.21 0.00 0.00 175.17 179.09 2k8y h PRO 5 N 7.33 -0.45 -7.01 8.23 0.13 -1.94 -3.44 132.00 134.85 2k8y h PRO 5 Ca -0.05 0.03 -0.45 0.00 -0.87 0.00 0.00 66.00 64.66 2k8y h PRO 5 Cb 0.97 0.10 0.06 0.00 0.13 0.00 0.00 31.00 32.26 2k8y h PRO 5 CO 0.45 -0.30 0.08 -1.64 -0.23 0.00 0.00 178.00 176.35 2k8y s MET 6 N -6.12 2.55 -0.45 0.86 -1.94 -1.26 -4.91 119.30 108.03 2k8y s MET 6 Ca -0.15 -0.46 -0.14 0.00 -1.71 0.00 0.00 55.69 53.23 2k8y s MET 6 Cb 0.05 -2.36 0.06 0.00 2.01 0.00 0.00 34.83 34.59 2k8y s MET 6 CO 0.64 -0.83 0.34 0.42 -0.01 0.00 0.00 175.02 175.58 2k8y s ILE 7 N -2.93 4.97 -0.24 2.53 1.01 -0.94 -5.01 121.20 120.59 2k8y s ILE 7 Ca 0.57 -1.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 2k8y s ILE 7 Cb -0.10 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2k8y s ILE 7 CO 0.41 -0.50 0.11 -0.63 0.00 0.00 0.00 174.94 174.33 2k8y s ILE 8 N 1.59 4.80 0.10 2.92 1.09 -1.25 -1.64 121.20 128.81 2k8y s ILE 8 Ca 0.04 -0.01 0.09 0.00 -1.10 0.00 0.00 60.65 59.66 2k8y s ILE 8 Cb -0.23 -3.24 -0.04 0.00 -1.06 0.00 0.00 42.46 37.90 2k8y s ILE 8 CO 0.06 0.34 -0.22 -0.60 -0.10 0.00 0.00 174.94 174.42 2k8y s ARG 9 N 1.33 1.19 -0.12 2.79 6.06 -0.23 -4.93 118.95 125.04 2k8y s ARG 9 Ca 0.06 -1.18 -0.04 0.00 -2.50 0.00 0.00 55.73 52.07 2k8y s ARG 9 Cb -0.15 -1.48 -0.04 0.00 0.06 0.00 0.00 34.95 33.34 2k8y s ARG 9 CO 0.05 0.35 0.04 0.20 -2.50 0.00 0.00 175.30 173.44 2k8y s GLY 10 N -1.88 1.93 -0.07 8.12 0.00 -1.25 -1.00 107.32 113.16 2k8y s GLY 10 Ca 0.08 -0.76 -0.09 0.00 0.00 0.00 0.00 44.72 43.95 2k8y s GLY 10 CO 0.04 -0.37 0.24 -1.50 0.00 0.00 0.00 173.10 171.51 2k8y s ILE 11 N -0.58 0.02 -0.07 0.90 2.07 -0.99 -1.20 121.20 121.34 2k8y s ILE 11 Ca 0.11 -0.18 0.04 0.00 -1.41 0.00 0.00 60.65 59.21 2k8y s ILE 11 Cb -0.12 -0.40 -0.00 0.00 0.13 0.00 0.00 42.46 42.07 2k8y s ILE 11 CO 0.02 -0.10 -0.21 0.00 -1.91 0.00 0.00 174.94 172.75 2k8y s ARG 12 N -0.31 2.47 0.00 3.50 1.70 -0.06 -1.81 118.95 124.44 2k8y s ARG 12 Ca -0.04 -0.76 0.00 0.00 -0.47 0.00 0.00 55.73 54.46 2k8y s ARG 12 Cb -0.03 -1.98 0.00 0.00 -0.57 0.00 0.00 34.95 32.37 2k8y s ARG 12 CO 0.01 0.22 0.00 0.41 -1.08 0.00 0.00 175.30 174.86 2k8y n GLY 13 N 3.36 0.71 3.58 3.88 0.00 -0.64 -1.50 105.19 114.58 2k8y n GLY 13 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.69 2.52 -0.57 4.61 0.00 -0.21 -4.52 121.76 120.90 2k8y s ALA 14 Ca 0.00 0.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.81 2k8y s ALA 14 Cb 0.00 -4.13 0.01 0.00 0.00 0.00 0.00 23.12 18.99 2k8y s ALA 14 CO 0.00 -3.19 1.52 1.03 0.00 0.00 0.00 175.76 175.12 2k8y s ARG 15 N 6.44 3.17 -0.68 0.00 0.52 -0.39 -1.23 118.95 126.79 2k8y s ARG 15 Ca 0.83 0.50 -0.26 0.00 -0.52 0.00 0.00 55.73 56.28 2k8y s ARG 15 Cb -0.21 -4.18 -0.02 0.00 0.52 0.00 0.00 34.95 31.06 2k8y s ARG 15 CO 0.30 -2.10 1.80 0.42 0.02 0.00 0.00 175.30 175.74 2k8y s ILE 16 N 6.65 3.43 0.15 1.52 -1.09 -1.26 -4.29 121.20 126.31 2k8y s ILE 16 Ca 0.56 0.11 0.08 0.00 -2.23 0.00 0.00 60.65 59.16 2k8y s ILE 16 Cb -0.12 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 2k8y s ILE 16 CO 0.24 -1.05 -0.05 0.54 -1.23 0.00 0.00 174.94 173.38 2k8y s ASN 17 N 7.50 4.54 0.12 3.58 6.03 -1.26 -4.81 114.94 130.65 2k8y s ASN 17 Ca 0.63 -0.43 0.16 0.00 -1.03 0.00 0.00 52.86 52.19 2k8y s ASN 17 Cb -0.11 -0.90 0.71 0.00 -3.03 0.00 0.00 41.25 37.92 2k8y s ASN 17 CO 0.16 0.12 1.50 -0.46 -2.03 0.00 0.00 177.10 176.39 2k8y n ASN 18 N 0.18 0.29 0.06 3.54 6.94 -1.26 -2.99 115.26 122.02 2k8y n ASN 18 Ca -0.11 0.59 -0.01 0.00 -0.02 0.00 0.00 54.58 55.02 2k8y n ASN 18 Cb 0.54 -0.64 0.26 0.00 -2.36 0.00 0.00 39.78 37.58 2k8y n ASN 18 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 2k8y h GLU 19 N 0.00 0.34 -0.12 -3.83 4.39 -1.97 -2.85 114.58 110.54 2k8y h GLU 19 Ca 0.00 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 59.61 2k8y h GLU 19 Cb 0.22 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2k8y h GLU 19 CO 0.00 0.59 0.27 -0.84 -1.16 0.00 0.00 179.01 177.86 2k8y h ILE 20 N 0.31 0.20 0.00 3.13 3.07 -1.92 -1.89 117.51 120.40 2k8y h ILE 20 Ca 0.05 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.41 2k8y h ILE 20 Cb 0.64 0.76 -0.01 0.00 -0.27 0.00 0.00 36.82 37.94 2k8y h ILE 20 CO 0.05 0.00 -0.88 -0.26 -1.05 0.00 0.00 178.15 176.01 2k8y h PHE 21 N 0.00 0.00 0.00 0.16 0.04 -1.76 -3.37 116.94 112.01 2k8y h PHE 21 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2k8y h PHE 21 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 2k8y h PHE 21 CO 0.00 0.18 0.00 -0.91 -0.60 0.00 0.00 178.31 176.98 2k8y h ASN 22 N 0.00 0.00 0.88 2.17 4.21 -1.48 -2.70 115.58 118.66 2k8y h ASN 22 Ca -0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.47 2k8y h ASN 22 Cb 1.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 2k8y h ASN 22 CO 0.02 0.00 -0.01 0.00 -1.29 0.00 0.00 177.43 176.14 2k8y n LEU 23 N -2.49 0.02 -0.74 1.61 -0.00 -1.26 -4.94 117.00 109.20 2k8y n LEU 23 Ca 0.04 0.43 -0.09 0.00 -0.00 0.00 0.00 56.01 56.40 2k8y n LEU 23 Cb 0.40 -0.44 -0.04 0.00 -0.00 0.00 0.00 43.42 43.35 2k8y n LEU 23 CO 0.29 0.00 -0.08 0.61 -0.00 0.00 0.00 177.39 178.21 2k8y n GLY 24 N 1.45 0.82 3.81 1.47 0.00 -1.02 -4.97 105.19 106.75 2k8y n GLY 24 Ca 0.09 0.00 -0.31 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 -2.13 3.18 -0.69 0.99 1.43 -1.26 -4.99 118.68 115.21 2k8y s LEU 25 Ca 0.00 1.66 -0.25 0.00 -1.03 0.00 0.00 54.13 54.50 2k8y s LEU 25 Cb 0.00 -4.50 0.05 0.00 0.03 0.00 0.00 46.19 41.76 2k8y s LEU 25 CO 0.00 -1.44 1.14 -0.54 0.23 0.00 0.00 176.35 175.74 2k8y s LYS 26 N -4.90 3.19 0.17 1.70 3.01 -1.26 -4.97 119.74 116.68 2k8y s LYS 26 Ca 0.59 -0.43 -0.06 0.00 -1.01 0.00 0.00 55.97 55.06 2k8y s LYS 26 Cb -0.14 -4.18 -0.02 0.00 -1.01 0.00 0.00 37.83 32.47 2k8y s LYS 26 CO 0.53 -1.97 0.23 -0.59 0.51 0.00 0.00 175.35 174.06 2k8y s PHE 27 N 4.99 0.61 0.01 3.18 -0.71 -1.26 -4.10 117.98 120.69 2k8y s PHE 27 Ca 0.30 -0.96 -0.15 0.00 -1.04 0.00 0.00 56.93 55.09 2k8y s PHE 27 Cb -0.11 -0.20 0.02 0.00 -1.21 0.00 0.00 43.02 41.52 2k8y s PHE 27 CO 0.14 -0.69 0.32 -1.14 -1.34 0.00 0.00 175.22 172.51 2k8y s GLN 28 N -4.02 0.73 -0.08 1.99 2.00 -0.75 -5.01 119.66 114.52 2k8y s GLN 28 Ca 0.22 -0.30 0.02 0.00 -2.00 0.00 0.00 55.36 53.31 2k8y s GLN 28 Cb 0.04 0.32 0.02 0.00 0.80 0.00 0.00 33.01 34.19 2k8y s GLN 28 CO 0.03 -0.22 -0.12 0.42 -0.50 0.00 0.00 175.29 174.90 2k8y s ILE 29 N -1.77 1.19 0.44 -2.34 1.01 -1.26 -0.61 121.20 117.86 2k8y s ILE 29 Ca -0.10 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.13 2k8y s ILE 29 Cb -0.04 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 2k8y s ILE 29 CO 0.02 0.37 0.15 -1.48 0.00 0.00 0.00 174.94 174.00 2k8y s LEU 30 N 0.89 2.90 0.27 2.97 2.34 -0.81 -3.45 118.68 123.79 2k8y s LEU 30 Ca -0.10 -1.24 -0.26 0.00 0.06 0.00 0.00 54.13 52.59 2k8y s LEU 30 Cb -0.15 -1.21 -0.09 0.00 -0.56 0.00 0.00 46.19 44.18 2k8y s LEU 30 CO 0.01 -0.65 0.89 0.21 -1.06 0.00 0.00 176.35 175.75 2k8y s ASN 31 N -3.92 7.37 0.00 1.48 2.47 -0.54 -1.35 114.94 120.45 2k8y s ASN 31 Ca 0.34 1.77 0.28 0.00 0.42 0.00 0.00 52.86 55.67 2k8y s ASN 31 Cb 0.04 -2.55 1.66 0.00 -1.45 0.00 0.00 41.25 38.95 2k8y s ASN 31 CO 0.19 0.03 2.03 0.00 -3.72 0.00 0.00 177.10 175.63 2k8y n ALA 32 N 0.91 2.60 0.12 1.71 0.00 -1.05 -3.10 120.51 121.71 2k8y n ALA 32 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 2k8y n ALA 32 Cb 0.49 -1.45 0.08 0.00 0.00 0.00 0.00 19.45 18.57 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 0.00 0.00 -0.01 0.00 5.19 -1.93 -3.34 116.42 116.32 2k8y h ASP 33 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k8y h ASP 33 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2k8y h ASP 33 CO 0.00 0.69 -0.17 1.33 -3.12 0.00 0.00 179.24 177.97 2k8y n VAL 34 N -3.51 0.00 -2.50 -1.35 0.24 -1.18 -4.50 118.33 105.53 2k8y n VAL 34 Ca -0.00 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.34 61.47 2k8y n VAL 34 Cb 0.73 1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 34.30 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 -1.53 3.86 0.00 3.34 0.11 -1.25 -4.89 120.40 120.05 2k8y s VAL 35 Ca 0.14 0.72 -0.09 0.00 -2.93 0.00 0.00 61.98 59.82 2k8y s VAL 35 Cb 0.12 -4.64 -0.05 0.00 -1.53 0.00 0.00 36.38 30.28 2k8y s VAL 35 CO 0.29 -1.36 0.81 0.00 -3.33 0.00 0.00 175.10 171.50 2k8y h ALA 36 N 10.29 -0.76 -2.53 1.54 0.00 -1.90 -3.43 119.26 122.47 2k8y h ALA 36 Ca -0.26 -0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.23 2k8y h ALA 36 Cb 1.07 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 2k8y h ALA 36 CO 1.20 -0.74 -0.58 0.95 0.00 0.00 0.00 179.25 180.09 2k8y s THR 37 N -3.10 0.19 0.60 0.00 -4.23 -1.26 -1.44 115.64 106.40 2k8y s THR 37 Ca -0.05 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.75 2k8y s THR 37 Cb 0.00 -2.52 0.37 0.00 1.34 0.00 0.00 72.50 71.69 2k8y s THR 37 CO 0.14 0.00 1.97 0.11 -0.54 0.00 0.00 174.62 176.30 2k8y h LYS 38 N 2.37 0.00 -0.75 3.99 1.57 -1.70 -1.39 116.57 120.66 2k8y h LYS 38 Ca -0.34 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.50 2k8y h LYS 38 Cb 1.25 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 2k8y h LYS 38 CO 0.51 0.00 0.49 0.87 -0.57 0.00 0.00 179.45 180.75 2k8y h LYS 39 N 0.00 0.80 -0.02 3.15 6.56 -1.92 -0.38 116.57 124.76 2k8y h LYS 39 Ca 0.15 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 2k8y h LYS 39 Cb 0.89 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 32.37 2k8y h LYS 39 CO -0.00 0.53 0.01 1.25 -2.06 0.00 0.00 179.45 179.18 2k8y h HIS 40 N 0.82 0.02 0.22 -1.35 2.76 -1.61 -1.46 115.15 114.55 2k8y h HIS 40 Ca 0.32 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 2k8y h HIS 40 Cb 0.22 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.17 2k8y h HIS 40 CO -0.00 0.02 -0.10 0.28 -1.30 0.00 0.00 177.93 176.83 2k8y h VAL 41 N 0.02 0.82 -0.66 5.26 2.07 -1.61 -3.15 116.25 119.00 2k8y h VAL 41 Ca 0.01 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2k8y h VAL 41 Cb 0.01 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2k8y h VAL 41 CO -0.00 0.17 0.40 0.17 0.02 0.00 0.00 177.57 178.33 2k8y h LEU 42 N -0.77 0.78 -1.03 2.57 8.10 -1.08 0.78 115.31 124.66 2k8y h LEU 42 Ca -0.03 -0.04 0.03 0.00 0.11 0.00 0.00 57.88 57.95 2k8y h LEU 42 Cb 0.51 -0.20 -0.06 0.00 -0.44 0.00 0.00 40.66 40.47 2k8y h LEU 42 CO 0.05 0.60 0.65 -0.74 -4.11 0.00 0.00 178.44 174.89 2k8y h HIS 43 N 0.91 1.22 -0.11 0.17 2.76 -1.39 0.11 115.15 118.82 2k8y h HIS 43 Ca 0.24 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.30 2k8y h HIS 43 Cb -0.04 -0.41 -0.01 0.00 1.55 0.00 0.00 27.41 28.50 2k8y h HIS 43 CO 0.00 0.72 -0.54 0.00 -1.30 0.00 0.00 177.93 176.81 2k8y h ALA 44 N 1.41 0.88 -0.39 5.26 0.00 -0.87 -1.46 119.26 124.09 2k8y h ALA 44 Ca 0.39 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2k8y h ALA 44 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2k8y h ALA 44 CO -0.12 0.69 0.06 0.82 0.00 0.00 0.00 179.25 180.71 2k8y h ILE 45 N 0.24 1.24 -0.98 0.00 2.04 -0.85 -2.43 117.51 116.78 2k8y h ILE 45 Ca 0.00 -0.86 0.10 0.00 1.00 0.00 0.00 64.86 65.11 2k8y h ILE 45 Cb 1.03 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 38.08 2k8y h ILE 45 CO 0.09 0.29 0.61 0.78 0.00 0.00 0.00 178.15 179.92 2k8y h ASN 46 N 0.49 0.92 -0.62 1.72 2.35 -0.70 0.42 115.58 120.16 2k8y h ASN 46 Ca 0.12 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2k8y h ASN 46 Cb 0.36 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2k8y h ASN 46 CO 0.01 0.52 0.40 1.56 -1.65 0.00 0.00 177.43 178.27 2k8y h GLN 47 N 1.01 0.82 0.00 0.81 1.08 -1.18 -1.87 115.11 115.77 2k8y h GLN 47 Ca 0.46 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.53 2k8y h GLN 47 Cb 0.38 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2k8y h GLN 47 CO -0.24 0.56 -0.35 0.00 -0.95 0.00 0.00 178.83 177.85 2k8y h ALA 48 N 1.21 1.24 0.03 3.87 0.00 -0.68 -0.68 119.26 124.25 2k8y h ALA 48 Ca 0.22 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 2k8y h ALA 48 Cb -0.07 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.68 2k8y h ALA 48 CO -0.05 0.44 -0.88 0.87 0.00 0.00 0.00 179.25 179.63 2k8y h LYS 49 N 0.00 0.54 0.03 0.00 1.57 -0.54 -3.36 116.57 114.80 2k8y h LYS 49 Ca -0.00 -0.63 -0.29 0.00 -1.87 0.00 0.00 60.65 57.86 2k8y h LYS 49 Cb 0.70 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 2k8y h LYS 49 CO 0.05 1.24 -1.63 0.00 -0.57 0.00 0.00 179.45 178.54 2k8y h THR 50 N 0.11 0.97 -3.04 -0.16 1.03 -1.36 -3.48 112.91 106.98 2k8y h THR 50 Ca -0.12 -2.77 -0.62 0.00 -0.01 0.00 0.00 66.41 62.90 2k8y h THR 50 Cb 1.58 2.52 -0.11 0.00 -1.07 0.00 0.00 68.15 71.07 2k8y h THR 50 CO 0.17 0.63 -0.65 -0.54 -0.01 0.00 0.00 175.52 175.12 2k8y s LYS 51 N -2.61 2.51 -0.41 0.00 1.02 -0.26 -5.07 119.74 114.91 2k8y s LYS 51 Ca -0.06 -0.98 0.03 0.00 0.02 0.00 0.00 55.97 54.98 2k8y s LYS 51 Cb 0.08 -2.46 0.16 0.00 -0.52 0.00 0.00 37.83 35.10 2k8y s LYS 51 CO 0.82 0.49 0.32 -1.59 -0.92 0.00 0.00 175.35 174.47 2k8y s LYS 52 N -2.73 0.89 0.00 1.68 -2.85 -1.26 -4.56 119.74 110.92 2k8y s LYS 52 Ca 0.27 -2.01 0.00 0.00 -1.00 0.00 0.00 55.97 53.23 2k8y s LYS 52 Cb -0.10 -1.47 0.00 0.00 -2.06 0.00 0.00 37.83 34.20 2k8y s LYS 52 CO 0.19 -1.35 0.00 -0.35 0.10 0.00 0.00 175.35 173.94 2k8y n PRO 53 N 3.03 0.00 0.00 1.78 -0.05 -1.26 -4.88 135.00 133.61 2k8y n PRO 53 Ca 0.26 0.03 0.00 0.00 -0.05 0.00 0.00 63.50 63.74 2k8y n PRO 53 Cb 0.46 -0.36 0.00 0.00 -0.05 0.00 0.00 33.50 33.55 2k8y n PRO 53 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 2k8y n ILE 54 N -1.02 0.00 -2.01 0.52 5.41 -1.26 -5.08 119.36 115.92 2k8y n ILE 54 Ca 0.00 -0.37 -0.37 0.00 1.00 0.00 0.00 62.75 63.01 2k8y n ILE 54 Cb 0.00 0.95 0.02 0.00 -0.71 0.00 0.00 39.64 39.90 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 -0.87 2.80 0.31 -1.39 0.00 -1.26 -4.94 121.76 116.41 2k8y s ALA 55 Ca 0.00 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.12 2k8y s ALA 55 Cb 0.00 -3.47 0.52 0.00 0.00 0.00 0.00 23.12 20.17 2k8y s ALA 55 CO 0.00 -1.07 1.77 0.87 0.00 0.00 0.00 175.76 177.33 2k8y h LYS 56 N 1.51 0.37 -2.80 0.00 1.79 -1.98 -3.48 116.57 111.98 2k8y h LYS 56 Ca -0.50 -0.13 0.06 0.00 -2.18 0.00 0.00 60.65 57.90 2k8y h LYS 56 Cb 1.28 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.89 2k8y h LYS 56 CO 0.58 0.59 0.40 0.45 -1.08 0.00 0.00 179.45 180.39 2k8y s SER 57 N -6.84 -0.01 0.10 0.86 0.15 -1.26 -5.02 113.70 101.67 2k8y s SER 57 Ca -0.06 -0.92 -0.34 0.00 0.70 0.00 0.00 55.95 55.33 2k8y s SER 57 Cb 0.14 0.70 -0.15 0.00 -1.71 0.00 0.00 66.02 65.00 2k8y s SER 57 CO 0.77 -1.38 1.54 0.15 1.20 0.00 0.00 173.24 175.52 2k8y h PHE 58 N 2.00 -1.47 0.00 3.44 3.57 -1.92 -1.76 116.94 120.80 2k8y h PHE 58 Ca -0.30 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 2k8y h PHE 58 Cb 1.24 0.62 -0.00 0.00 2.79 0.00 0.00 35.95 40.59 2k8y h PHE 58 CO 1.29 -0.60 -0.02 -1.49 -2.23 0.00 0.00 178.31 175.26 2k8y h TRP 59 N -0.79 0.00 0.00 0.41 4.06 -1.95 -1.55 115.95 116.13 2k8y h TRP 59 Ca -0.02 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.78 2k8y h TRP 59 Cb 0.77 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.90 2k8y h TRP 59 CO -0.41 0.02 -0.71 0.52 -3.56 0.00 0.00 178.44 174.30 2k8y h MET 60 N 0.00 0.00 -0.01 0.49 2.86 -1.88 -3.08 114.93 113.31 2k8y h MET 60 Ca -0.00 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 2k8y h MET 60 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2k8y h MET 60 CO 0.00 0.71 -0.79 1.49 1.06 0.00 0.00 176.91 179.39 2k8y h GLU 61 N 0.00 0.16 -0.31 1.72 4.57 -0.39 -3.04 114.58 117.28 2k8y h GLU 61 Ca -0.01 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 2k8y h GLU 61 Cb 1.39 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.00 2k8y h GLU 61 CO 0.09 0.86 0.16 0.82 -1.18 0.00 0.00 179.01 179.77 2k8y h ILE 62 N 0.10 1.14 -0.12 2.32 2.04 -1.47 -1.81 117.51 119.70 2k8y h ILE 62 Ca -0.03 -0.40 -0.16 0.00 1.00 0.00 0.00 64.86 65.28 2k8y h ILE 62 Cb 1.38 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2k8y h ILE 62 CO 0.12 0.15 -0.61 0.17 0.00 0.00 0.00 178.15 177.98 2k8y h LEU 63 N 0.37 0.48 -0.53 1.44 8.10 -1.61 -1.39 115.31 122.17 2k8y h LEU 63 Ca 0.11 -0.27 -0.16 0.00 0.11 0.00 0.00 57.88 57.66 2k8y h LEU 63 Cb 0.09 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.16 2k8y h LEU 63 CO -0.02 0.97 -0.72 -0.37 -4.11 0.00 0.00 178.44 174.20 2k8y h VAL 64 N 0.31 1.47 0.07 0.15 -1.51 -1.50 -3.00 116.25 112.24 2k8y h VAL 64 Ca -0.01 -2.33 -0.23 0.00 -1.23 0.00 0.00 66.70 62.90 2k8y h VAL 64 Cb 1.14 2.25 0.02 0.00 -2.13 0.00 0.00 31.29 32.58 2k8y h VAL 64 CO 0.11 0.68 -0.93 0.03 -1.23 0.00 0.00 177.57 176.22 2k8y h ARG 65 N 0.08 0.51 -0.10 5.19 2.47 -1.27 0.18 114.38 121.45 2k8y h ARG 65 Ca -0.02 -0.64 -0.03 0.00 -1.26 0.00 0.00 59.98 58.04 2k8y h ARG 65 Cb 1.27 0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 29.79 2k8y h ARG 65 CO 0.10 1.26 -0.06 0.00 0.56 0.00 0.00 179.97 181.83 2k8y h ALA 66 N 0.28 1.73 0.00 0.04 0.00 -1.32 -1.56 119.26 118.43 2k8y h ALA 66 Ca -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k8y h ALA 66 Cb 1.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2k8y h ALA 66 CO 0.18 0.21 -0.45 -1.13 0.00 0.00 0.00 179.25 178.05 2k8y n SER 67 N -4.39 0.64 -1.65 0.00 3.41 -1.13 -4.95 113.62 105.55 2k8y n SER 67 Ca -0.01 0.17 -0.20 0.00 -0.26 0.00 0.00 58.87 58.57 2k8y n SER 67 Cb 0.19 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.37 1.76 3.02 5.00 0.00 -0.59 -4.95 105.19 110.80 2k8y n GLY 68 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2k8y n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k8y s GLN 69 N -3.82 2.01 0.05 1.61 2.00 -0.00 -4.93 119.66 116.58 2k8y s GLN 69 Ca 0.00 -2.35 0.03 0.00 -2.00 0.00 0.00 55.36 51.04 2k8y s GLN 69 Cb 0.00 -3.42 0.18 0.00 0.80 0.00 0.00 33.01 30.57 2k8y s GLN 69 CO 0.00 -1.08 1.09 2.89 -0.50 0.00 0.00 175.29 177.68 2k8y n ARG 70 N 3.61 0.02 -2.91 1.67 -4.01 -1.26 -4.31 116.66 109.48 2k8y n ARG 70 Ca 0.05 0.51 -0.42 0.00 -1.04 0.00 0.00 57.85 56.95 2k8y n ARG 70 Cb 0.37 -1.59 -0.04 0.00 -3.04 0.00 0.00 32.46 28.15 2k8y n ARG 70 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 2k8y s GLN 71 N -3.06 4.22 0.13 2.89 -0.21 -1.26 -4.86 119.66 117.51 2k8y s GLN 71 Ca -0.00 0.94 -0.26 0.00 0.02 0.00 0.00 55.36 56.05 2k8y s GLN 71 Cb 0.01 -3.62 -0.05 0.00 1.00 0.00 0.00 33.01 30.35 2k8y s GLN 71 CO 0.03 -0.44 1.62 0.82 -2.12 0.00 0.00 175.29 175.20 2k8y h ILE 72 N 5.35 0.33 0.03 1.08 1.08 -1.92 -0.93 117.51 122.53 2k8y h ILE 72 Ca -0.25 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.22 2k8y h ILE 72 Cb 1.11 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 2k8y h ILE 72 CO 0.85 0.00 -0.06 0.45 -0.69 0.00 0.00 178.15 178.70 2k8y h HIS 73 N -0.43 -0.16 -0.89 1.37 3.86 -1.94 -2.54 115.15 114.42 2k8y h HIS 73 Ca 0.07 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 2k8y h HIS 73 Cb 0.53 0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 2k8y h HIS 73 CO -0.34 -0.10 0.46 0.93 0.86 0.00 0.00 177.93 179.74 2k8y h GLU 74 N -0.12 1.25 -0.37 2.45 4.39 -1.89 -1.34 114.58 118.95 2k8y h GLU 74 Ca 0.02 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.60 2k8y h GLU 74 Cb 0.14 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 2k8y h GLU 74 CO -0.05 0.93 0.14 0.00 -1.16 0.00 0.00 179.01 178.88 2k8y h ALA 75 N 1.25 0.44 -0.01 3.43 0.00 -0.99 -1.57 119.26 121.82 2k8y h ALA 75 Ca 0.31 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2k8y h ALA 75 Cb 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k8y h ALA 75 CO -0.05 -0.25 -0.40 0.82 0.00 0.00 0.00 179.25 179.37 2k8y h ILE 76 N 0.30 1.29 -0.06 0.00 2.04 -1.09 -0.97 117.51 119.01 2k8y h ILE 76 Ca 0.17 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 2k8y h ILE 76 Cb 0.14 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2k8y h ILE 76 CO -0.17 0.40 0.01 0.11 0.00 0.00 0.00 178.15 178.50 2k8y h LYS 77 N 0.02 0.10 0.25 2.37 1.57 -0.81 -1.43 116.57 118.64 2k8y h LYS 77 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2k8y h LYS 77 Cb 0.72 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2k8y h LYS 77 CO 0.05 0.31 -0.12 0.82 -0.57 0.00 0.00 179.45 179.94 2k8y h ILE 78 N -0.12 0.00 -0.57 1.86 2.04 -1.16 -3.39 117.51 116.17 2k8y h ILE 78 Ca 0.02 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2k8y h ILE 78 Cb 0.25 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2k8y h ILE 78 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.45 2k8y n ILE 79 N -3.46 1.19 -1.94 -0.67 -5.35 -0.38 -5.01 119.36 103.75 2k8y n ILE 79 Ca -0.04 -1.07 -0.33 0.00 -0.27 0.00 0.00 62.75 61.04 2k8y n ILE 79 Cb 0.13 0.41 0.02 0.00 -1.74 0.00 0.00 39.64 38.46 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 -1.03 2.10 0.32 3.28 0.00 -0.54 -1.47 107.32 109.98 2k8y s GLY 80 Ca 0.40 0.41 -0.29 0.00 0.00 0.00 0.00 44.72 45.24 2k8y s GLY 80 CO 0.25 0.74 1.40 0.00 0.00 0.00 0.00 173.10 175.49 2k8y n ALA 81 N -2.21 1.68 -2.32 3.20 0.00 -1.22 -4.03 120.51 115.61 2k8y n ALA 81 Ca 0.09 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.76 2k8y n ALA 81 Cb 0.53 -2.33 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 2k8y n ALA 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2k8y s LYS 82 N -1.39 0.98 0.48 0.00 -2.85 -1.26 -4.94 119.74 110.76 2k8y s LYS 82 Ca 0.59 -1.35 -0.22 0.00 -1.00 0.00 0.00 55.97 53.99 2k8y s LYS 82 Cb -0.56 -0.58 -0.09 0.00 -2.06 0.00 0.00 37.83 34.55 2k8y s LYS 82 CO 0.58 0.07 0.98 -3.47 0.10 0.00 0.00 175.35 173.61 2k8y n ASP 83 N 0.06 1.04 0.00 0.03 -0.08 -1.26 -4.53 116.55 111.81 2k8y n ASP 83 Ca -0.12 0.96 0.00 0.00 -1.51 0.00 0.00 54.79 54.12 2k8y n ASP 83 Cb 0.60 -1.36 0.00 0.00 2.34 0.00 0.00 41.12 42.70 2k8y n ASP 83 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k8y n GLY 84 N 1.23 0.99 3.54 0.27 0.00 -0.36 -4.91 105.19 105.94 2k8y n GLY 84 Ca 0.10 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 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 6.36 0.35 1.61 0.02 -1.26 -1.04 114.94 116.98 2k8y s ASN 85 Ca 0.00 -0.17 0.07 0.00 -1.02 0.00 0.00 52.86 51.75 2k8y s ASN 85 Cb 0.00 -2.33 -0.03 0.00 0.02 0.00 0.00 41.25 38.91 2k8y s ASN 85 CO 0.00 -0.74 0.27 1.33 0.02 0.00 0.00 177.10 177.98 2k8y n VAL 86 N 5.80 0.00 -4.02 1.60 0.24 -0.75 -2.52 118.33 118.68 2k8y n VAL 86 Ca -0.01 -2.46 -0.22 0.00 -2.04 0.00 0.00 64.34 59.61 2k8y n VAL 86 Cb 0.48 1.18 -0.17 0.00 -1.47 0.00 0.00 33.84 33.87 2k8y n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k8y s LEU 88 N 1.34 3.66 -0.21 0.00 2.96 -0.17 -1.92 118.68 124.33 2k8y s LEU 88 Ca -0.04 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 2k8y s LEU 88 Cb -0.13 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 2k8y s LEU 88 CO -0.02 0.09 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.46 2k8y s ILE 89 N 0.86 3.79 0.02 6.68 1.01 0.22 -1.07 121.20 132.72 2k8y s ILE 89 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 2k8y s ILE 89 Cb -0.14 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 2k8y s ILE 89 CO 0.02 0.42 0.09 0.00 0.00 0.00 0.00 174.94 175.47 2k8y h GLU 91 N 4.06 0.43 -3.94 0.00 5.08 -1.88 -2.49 114.58 115.84 2k8y h GLU 91 Ca -0.32 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 57.82 2k8y h GLU 91 Cb 1.19 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.28 2k8y h GLU 91 CO 0.45 0.50 -0.25 0.16 -1.00 0.00 0.00 179.01 178.87 2k8y s ASP 92 N -5.78 0.10 0.51 1.42 -4.77 -1.26 -4.54 116.67 102.35 2k8y s ASP 92 Ca -0.13 -1.12 0.29 0.00 -3.30 0.00 0.00 52.55 48.29 2k8y s ASP 92 Cb 0.08 0.55 1.27 0.00 -1.09 0.00 0.00 42.92 43.73 2k8y s ASP 92 CO 0.73 -1.09 1.96 -0.08 0.70 0.00 0.00 175.17 177.39 2k8y h GLU 93 N 2.32 0.00 -0.08 2.11 4.81 -1.99 -2.47 114.58 119.29 2k8y h GLU 93 Ca -0.29 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.74 2k8y h GLU 93 Cb 1.25 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.64 2k8y h GLU 93 CO 0.40 0.12 -0.74 1.05 -0.73 0.00 0.00 179.01 179.11 2k8y h GLU 94 N 0.00 0.63 -0.98 1.92 4.11 -1.99 -1.62 114.58 116.65 2k8y h GLU 94 Ca -0.00 -0.58 0.04 0.00 0.07 0.00 0.00 59.36 58.89 2k8y h GLU 94 Cb 0.54 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 2k8y h GLU 94 CO 0.02 1.19 0.64 1.15 0.07 0.00 0.00 179.01 182.08 2k8y h THR 95 N 0.28 1.16 -0.07 -1.06 2.02 -1.93 -2.31 112.91 111.00 2k8y h THR 95 Ca -0.07 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.72 2k8y h THR 95 Cb 1.39 -0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2k8y h THR 95 CO 0.15 0.22 -0.10 0.15 0.37 0.00 0.00 175.52 176.31 2k8y h PHE 96 N 1.23 -0.25 -0.40 3.16 3.57 -1.28 -2.71 116.94 120.25 2k8y h PHE 96 Ca 0.40 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.86 2k8y h PHE 96 Cb 0.03 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2k8y h PHE 96 CO -0.00 -0.15 0.03 -0.09 -2.23 0.00 0.00 178.31 175.87 2k8y h ARG 97 N -0.14 0.61 -0.29 1.11 2.43 -0.94 -0.85 114.38 116.31 2k8y h ARG 97 Ca 0.06 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2k8y h ARG 97 Cb 0.23 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2k8y h ARG 97 CO -0.15 0.61 0.07 0.87 -1.51 0.00 0.00 179.97 179.86 2k8y h LYS 98 N 0.59 0.47 -0.24 0.20 1.79 -1.29 -1.34 116.57 116.75 2k8y h LYS 98 Ca 0.13 -0.11 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 2k8y h LYS 98 Cb 0.32 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2k8y h LYS 98 CO 0.01 0.55 -0.17 0.82 -1.08 0.00 0.00 179.45 179.58 2k8y h ILE 99 N 0.31 1.31 -0.82 1.86 1.08 -1.21 -3.01 117.51 117.03 2k8y h ILE 99 Ca 0.09 -1.29 0.17 0.00 -0.39 0.00 0.00 64.86 63.44 2k8y h ILE 99 Cb 0.29 1.64 -0.06 0.00 -3.07 0.00 0.00 36.82 35.62 2k8y h ILE 99 CO 0.00 0.40 0.55 0.22 -0.69 0.00 0.00 178.15 178.63 2k8y h TYR 100 N 0.24 0.49 0.14 1.37 3.20 -1.11 -1.68 116.97 119.61 2k8y h TYR 100 Ca 0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2k8y h TYR 100 Cb 0.70 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.81 2k8y h TYR 100 CO 0.07 0.16 -0.07 0.93 -1.64 0.00 0.00 178.16 177.62 2k8y h GLU 101 N 0.40 -0.18 -0.34 1.82 4.39 -1.10 -2.02 114.58 117.55 2k8y h GLU 101 Ca 0.41 0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.99 2k8y h GLU 101 Cb 1.00 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2k8y h GLU 101 CO -0.14 -0.11 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.22 2k8y h LEU 102 N -0.20 0.87 0.00 1.33 -0.00 -1.31 -3.35 115.31 112.66 2k8y h LEU 102 Ca -0.02 -0.46 -0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2k8y h LEU 102 Cb 0.15 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.57 2k8y h LEU 102 CO 0.03 1.15 -0.00 0.16 -0.00 0.00 0.00 178.44 179.78 2k8y h ILE 103 N 0.60 1.68 -2.94 1.22 3.07 -1.42 -3.46 117.51 116.26 2k8y h ILE 103 Ca 0.06 -2.08 0.00 0.00 1.55 0.00 0.00 64.86 64.39 2k8y h ILE 103 Cb 0.90 3.08 0.00 0.00 -0.27 0.00 0.00 36.82 40.53 2k8y h ILE 103 CO 0.08 0.53 -0.45 0.61 -1.05 0.00 0.00 178.15 177.88 2k8y n GLY 104 N 1.33 -4.32 0.00 0.16 0.00 -0.76 -1.26 105.19 100.34 2k8y n GLY 104 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.86 -0.56 3.31 -0.02 0.00 -1.26 -3.37 105.19 104.15 2k8y n GLY 105 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.05 1.78 0.07 1.61 2.12 -0.56 -4.93 118.70 118.73 2k8y s GLU 106 Ca 0.00 -1.01 -0.31 0.00 0.36 0.00 0.00 54.97 54.01 2k8y s GLU 106 Cb 0.00 -1.87 -0.07 0.00 0.26 0.00 0.00 34.13 32.45 2k8y s GLU 106 CO 0.00 0.49 1.32 0.42 -0.54 0.00 0.00 175.26 176.95 2k8y s ILE 107 N -0.74 3.64 -0.36 -3.70 -1.09 -1.26 -0.88 121.20 116.82 2k8y s ILE 107 Ca 0.10 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.68 2k8y s ILE 107 Cb -0.10 -3.74 0.10 0.00 -1.58 0.00 0.00 42.46 37.14 2k8y s ILE 107 CO 0.01 0.07 0.10 -0.62 -1.23 0.00 0.00 174.94 173.27 2k8y s ASP 108 N 1.22 4.97 -0.00 3.58 -1.08 -0.34 -4.90 116.67 120.12 2k8y s ASP 108 Ca 0.62 -1.96 -0.24 0.00 -0.52 0.00 0.00 52.55 50.45 2k8y s ASP 108 Cb -0.33 -1.72 -0.17 0.00 -1.46 0.00 0.00 42.92 39.24 2k8y s ASP 108 CO 0.29 -0.42 1.20 -2.24 0.52 0.00 0.00 175.17 174.52 2k8y h ASP 109 N 7.85 -0.24 -0.70 -0.34 2.03 -1.95 -3.35 116.42 119.73 2k8y h ASP 109 Ca -0.11 -0.26 0.20 0.00 -0.73 0.00 0.00 57.03 56.14 2k8y h ASP 109 Cb 1.04 0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 39.57 2k8y h ASP 109 CO 0.59 0.16 0.50 0.77 -1.03 0.00 0.00 179.24 180.24 2k8y h SER 110 N -0.69 0.00 0.34 4.15 4.64 -1.98 -1.65 113.55 118.35 2k8y h SER 110 Ca -0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 2k8y h SER 110 Cb 0.48 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2k8y h SER 110 CO 0.05 0.00 -0.19 1.62 -0.87 0.00 0.00 176.83 177.44 2k8y h VAL 111 N 0.00 0.87 -0.00 0.95 3.04 -1.94 -2.75 116.25 116.41 2k8y h VAL 111 Ca 0.33 -0.73 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2k8y h VAL 111 Cb 1.32 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 2k8y h VAL 111 CO -0.00 0.19 -0.01 0.18 -1.01 0.00 0.00 177.57 176.92 2k8y n LEU 112 N -3.91 0.05 -0.74 3.16 4.77 -0.62 -3.97 117.00 115.74 2k8y n LEU 112 Ca -0.02 0.14 0.03 0.00 -0.03 0.00 0.00 56.01 56.13 2k8y n LEU 112 Cb 0.28 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 2k8y n LEU 112 CO 0.34 0.01 0.25 -1.84 -1.33 0.00 0.00 177.39 174.81 2k8y n GLU 113 N -1.12 0.28 -0.20 3.23 0.28 -1.04 -1.68 120.64 120.39 2k8y n GLU 113 Ca 0.18 -1.66 0.00 0.00 -0.16 0.00 0.00 57.16 55.53 2k8y n GLU 113 Cb 0.19 -0.57 0.00 0.00 1.43 0.00 0.00 31.44 32.49 2k8y n GLU 113 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 2k8y n ILE 114 N -0.13 -1.54 -4.01 3.84 0.00 -0.52 -4.93 119.36 112.07 2k8y n ILE 114 Ca 0.05 0.30 -0.14 0.00 0.00 0.00 0.00 62.75 62.97 2k8y n ILE 114 Cb 0.82 -0.57 -0.02 0.00 0.00 0.00 0.00 39.64 39.87 2k8y n ILE 114 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2k8y n ASN 115 N -0.88 -1.61 -0.23 9.51 6.94 -1.26 -4.98 115.26 122.75 2k8y n ASN 115 Ca 0.00 -2.88 -0.07 0.00 -0.02 0.00 0.00 54.58 51.61 2k8y n ASN 115 Cb 0.00 2.91 0.04 0.00 -2.36 0.00 0.00 39.78 40.36 2k8y n ASN 115 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2k8y h GLU 116 N 0.00 0.99 -0.72 -3.83 4.11 -2.00 -0.59 114.58 112.54 2k8y h GLU 116 Ca -0.29 -0.20 -0.02 0.00 0.07 0.00 0.00 59.36 58.91 2k8y h GLU 116 Cb 1.23 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2k8y h GLU 116 CO 0.39 0.86 0.36 0.22 0.07 0.00 0.00 179.01 180.91 2k8y h ASP 117 N 0.92 0.93 -0.84 3.06 3.58 -2.01 -2.56 116.42 119.51 2k8y h ASP 117 Ca 0.21 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 2k8y h ASP 117 Cb 0.27 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 2k8y h ASP 117 CO -0.01 0.79 0.39 0.50 -2.88 0.00 0.00 179.24 178.03 2k8y h LYS 118 N 1.01 1.23 -0.04 0.28 1.63 -1.79 -3.10 116.57 115.78 2k8y h LYS 118 Ca 0.25 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2k8y h LYS 118 Cb 0.10 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 2k8y h LYS 118 CO -0.03 0.95 -0.09 1.49 -3.45 0.00 0.00 179.45 178.32 2k8y h GLU 119 N 1.21 0.14 -0.14 1.90 4.81 -0.73 -1.09 114.58 120.68 2k8y h GLU 119 Ca 0.29 -0.09 -0.22 0.00 -0.13 0.00 0.00 59.36 59.20 2k8y h GLU 119 Cb 0.15 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.55 2k8y h GLU 119 CO -0.03 0.68 -0.79 0.00 -0.73 0.00 0.00 179.01 178.14 2k8y h ARG 120 N -0.38 0.76 -0.08 1.92 3.08 -1.60 -0.58 114.38 117.50 2k8y h ARG 120 Ca 0.00 -0.63 0.04 0.00 0.07 0.00 0.00 59.98 59.46 2k8y h ARG 120 Cb 0.68 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.81 2k8y h ARG 120 CO 0.02 1.23 -0.22 1.25 -1.07 0.00 0.00 179.97 181.19 2k8y h LEU 121 N 0.51 -0.66 -1.78 3.04 5.85 -1.59 -1.10 115.31 119.59 2k8y h LEU 121 Ca -0.05 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2k8y h LEU 121 Cb 1.41 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.73 2k8y h LEU 121 CO 0.16 -0.27 -0.12 0.40 -0.34 0.00 0.00 178.44 178.27 2k8y h ILE 122 N -0.30 1.06 -0.13 4.05 2.04 -1.09 -2.10 117.51 121.04 2k8y h ILE 122 Ca 0.09 -0.41 -0.18 0.00 1.00 0.00 0.00 64.86 65.36 2k8y h ILE 122 Cb 0.42 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2k8y h ILE 122 CO -0.26 0.12 -0.65 -0.09 0.00 0.00 0.00 178.15 177.27 2k8y h ARG 123 N 0.00 0.50 0.41 2.37 1.12 -0.71 -2.37 114.38 115.70 2k8y h ARG 123 Ca -0.00 -0.36 -0.02 0.00 -1.11 0.00 0.00 59.98 58.48 2k8y h ARG 123 Cb 0.21 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 2k8y h ARG 123 CO 0.02 0.98 -0.20 1.49 -3.11 0.00 0.00 179.97 179.15 2k8y h GLU 124 N 0.36 -0.53 0.06 0.20 4.81 -0.52 -1.28 114.58 117.69 2k8y h GLU 124 Ca -0.01 0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 59.00 2k8y h GLU 124 Cb 1.21 0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.72 2k8y h GLU 124 CO 0.12 -0.22 -1.08 -0.84 -0.73 0.00 0.00 179.01 176.25 2k8y h ILE 125 N -0.88 1.43 0.03 2.32 -2.65 -1.60 -3.33 117.51 112.83 2k8y h ILE 125 Ca -0.06 -2.69 -0.30 0.00 1.03 0.00 0.00 64.86 62.85 2k8y h ILE 125 Cb 0.55 2.65 -0.04 0.00 -2.05 0.00 0.00 36.82 37.93 2k8y h ILE 125 CO 0.09 0.79 -1.65 -0.26 0.03 0.00 0.00 178.15 177.15 2k8y h PHE 126 N 0.17 0.13 -4.87 0.16 0.04 -1.60 -3.50 116.94 107.46 2k8y h PHE 126 Ca -0.11 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.57 2k8y h PHE 126 Cb 1.76 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.90 2k8y h PHE 126 CO 0.07 1.17 -0.24 1.63 -0.60 0.00 0.00 178.31 180.33 2k8y n LYS 127 N -3.19 -1.57 -3.52 1.51 4.76 -0.48 -5.02 118.16 110.64 2k8y n LYS 127 Ca -0.17 1.61 -0.38 0.00 -2.87 0.00 0.00 58.31 56.49 2k8y n LYS 127 Cb 1.04 -4.91 -0.10 0.00 -1.84 0.00 0.00 35.03 29.22 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 -2.59 5.27 -0.65 -0.18 1.01 -1.25 -5.05 121.20 117.76 2k8y s ILE 128 Ca 0.12 0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.90 2k8y s ILE 128 Cb -0.03 -3.59 0.09 0.00 0.01 0.00 0.00 42.46 38.94 2k8y s ILE 128 CO 0.62 0.24 0.84 -0.13 0.00 0.00 0.00 174.94 176.50 2k8y s ARG 129 N 1.71 3.12 0.00 2.79 1.81 -1.26 -4.86 118.95 122.25 2k8y s ARG 129 Ca 0.10 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 52.93 2k8y s ARG 129 Cb -0.15 -4.30 0.00 0.00 -0.45 0.00 0.00 34.95 30.05 2k8y s ARG 129 CO 0.09 -1.66 0.00 0.41 -0.68 0.00 0.00 175.30 173.46 2k8y n GLY 130 N 5.29 3.44 0.00 -3.53 0.00 -1.26 -5.17 105.19 103.96 2k8y n GLY 130 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2k8y n GLY 130 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k8y n PHE 131 N 0.00 -0.31 0.00 1.61 3.72 -1.26 -4.75 117.46 116.48 2k8y n PHE 131 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2k8y n PHE 131 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2k8y n PHE 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k8y n GLY 132 N 5.00 2.05 2.67 1.37 0.00 -1.26 -4.75 105.19 110.27 2k8y n GLY 132 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 1.97 0.23 1.61 2.47 -1.26 -5.02 114.94 114.94 2k8y s ASN 133 Ca 0.00 -0.37 0.14 0.00 0.42 0.00 0.00 52.86 53.05 2k8y s ASN 133 Cb 0.00 -0.29 -0.00 0.00 -1.45 0.00 0.00 41.25 39.51 2k8y s ASN 133 CO 0.00 -0.29 1.34 1.62 -3.72 0.00 0.00 177.10 176.05 2k8y h VAL 134 N 6.43 0.95 0.48 -5.21 3.04 -1.86 -3.33 116.25 116.75 2k8y h VAL 134 Ca -0.15 -2.38 -0.02 0.00 -1.01 0.00 0.00 66.70 63.14 2k8y h VAL 134 Cb 1.13 2.44 0.00 0.00 -2.01 0.00 0.00 31.29 32.86 2k8y h VAL 134 CO 0.25 0.54 -0.23 0.58 -1.01 0.00 0.00 177.57 177.70 2k8y h VAL 135 N 0.00 0.22 0.00 1.51 2.07 -1.96 -1.74 116.25 116.35 2k8y h VAL 135 Ca -0.03 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 2k8y h VAL 135 Cb 1.47 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2k8y h VAL 135 CO 0.07 0.04 -0.14 -0.33 0.02 0.00 0.00 177.57 177.24 2k8y h GLU 136 N -1.08 0.00 0.00 1.57 5.08 -2.01 -2.71 114.58 115.43 2k8y h GLU 136 Ca -0.07 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.10 2k8y h GLU 136 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2k8y h GLU 136 CO 0.11 0.14 -0.87 0.00 -1.00 0.00 0.00 179.01 177.39 2k8y h ARG 137 N 0.00 0.20 -0.12 2.33 3.08 -1.66 -1.64 114.38 116.57 2k8y h ARG 137 Ca -0.00 -0.21 -0.21 0.00 0.07 0.00 0.00 59.98 59.63 2k8y h ARG 137 Cb 0.26 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.38 2k8y h ARG 137 CO 0.02 0.95 -0.74 -0.24 -1.07 0.00 0.00 179.97 178.89 2k8y h VAL 138 N 0.11 1.30 -0.80 2.04 3.04 -1.10 -1.74 116.25 119.10 2k8y h VAL 138 Ca -0.04 -1.97 0.06 0.00 -1.01 0.00 0.00 66.70 63.73 2k8y h VAL 138 Cb 1.50 2.10 -0.06 0.00 -2.01 0.00 0.00 31.29 32.82 2k8y h VAL 138 CO 0.13 0.61 0.49 -0.07 -1.01 0.00 0.00 177.57 177.72 2k8y h LEU 139 N 0.40 0.76 0.00 3.16 4.07 -1.45 -2.27 115.31 119.98 2k8y h LEU 139 Ca -0.06 0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.73 2k8y h LEU 139 Cb 1.38 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.95 2k8y h LEU 139 CO 0.15 0.50 -0.91 1.05 -1.08 0.00 0.00 178.44 178.15 2k8y h GLU 140 N 0.90 0.00 0.25 1.13 4.11 -1.35 -3.21 114.58 116.41 2k8y h GLU 140 Ca 0.35 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.76 2k8y h GLU 140 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2k8y h GLU 140 CO -0.17 0.83 -0.13 -0.22 0.07 0.00 0.00 179.01 179.39 2k8y h LYS 141 N 0.00 -0.33 0.00 1.06 3.64 -1.07 -1.40 116.57 118.46 2k8y h LYS 141 Ca -0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k8y h LYS 141 Cb 1.68 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 2k8y h LYS 141 CO 0.11 -0.22 0.00 -0.84 -2.27 0.00 0.00 179.45 176.23 2k8y h ILE 142 N -0.35 0.00 0.03 2.00 3.07 -1.51 0.14 117.51 120.89 2k8y h ILE 142 Ca -0.03 -0.48 -0.24 0.00 1.55 0.00 0.00 64.86 65.66 2k8y h ILE 142 Cb 0.27 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 38.22 2k8y h ILE 142 CO 0.05 0.00 -1.02 0.00 -1.05 0.00 0.00 178.15 176.13 2k8y h ALA 143 N 2.20 0.29 0.00 0.16 0.00 -1.53 -3.14 119.26 117.24 2k8y h ALA 143 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2k8y h ALA 143 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k8y h ALA 143 CO 0.00 0.84 0.00 -0.11 0.00 0.00 0.00 179.25 179.98 2k8y n LEU 144 N -3.70 0.00 -0.09 0.00 7.94 0.43 -1.08 117.00 120.49 2k8y n LEU 144 Ca -0.07 0.30 -0.13 0.00 -1.11 0.00 0.00 56.01 55.00 2k8y n LEU 144 Cb 0.88 -0.30 -0.06 0.00 0.53 0.00 0.00 43.42 44.47 2k8y n LEU 144 CO 0.52 -0.07 -0.56 -0.38 -1.11 0.00 0.00 177.39 175.80 2k8y n ILE 145 N -1.30 1.48 -3.16 1.96 -0.00 -0.90 -4.87 119.36 112.56 2k8y n ILE 145 Ca 0.11 0.07 -0.19 0.00 -0.00 0.00 0.00 62.75 62.73 2k8y n ILE 145 Cb 0.19 -2.22 -0.06 0.00 -0.00 0.00 0.00 39.64 37.55 2k8y n ILE 145 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2k8y n GLU 146 N -4.50 0.35 0.11 0.38 0.00 -1.19 -4.91 120.64 110.88 2k8y n GLU 146 Ca -0.21 -2.78 0.00 0.00 0.00 0.00 0.00 57.16 54.17 2k8y n GLU 146 Cb 0.49 -1.57 0.00 0.00 0.00 0.00 0.00 31.44 30.36 2k8y n GLU 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2k8y n LEU 147 N 2.73 -2.00 0.00 4.31 7.94 -0.30 -4.69 117.00 124.98 2k8y n LEU 147 Ca 0.25 0.69 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 2k8y n LEU 147 Cb 0.51 2.11 0.00 0.00 0.53 0.00 0.00 43.42 46.58 2k8y n LEU 147 CO 0.06 0.15 0.00 0.29 -1.11 0.00 0.00 177.39 176.77 2k8y n LYS 148 N -3.18 0.00 -3.34 1.96 5.02 -0.24 -4.41 118.16 113.96 2k8y n LYS 148 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2k8y n LYS 148 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 2k8y n LYS 148 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k8y n LYS 149 N 0.00 0.85 0.00 1.97 0.00 -1.26 -5.07 118.16 114.65 2k8y n LYS 149 Ca 0.00 -3.48 0.12 0.00 -0.00 0.00 0.00 58.31 54.95 2k8y n LYS 149 Cb 0.00 -1.57 0.72 0.00 -0.00 0.00 0.00 35.03 34.18 2k8y n LYS 149 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49