#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8r s LYS 2 N 0.00 4.10 0.13 -3.48 0.00 -1.26 -4.57 119.74 114.65 2k8r s LYS 2 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 55.97 55.60 2k8r s LYS 2 Cb 0.00 -3.39 0.04 0.00 0.00 0.00 0.00 37.83 34.48 2k8r s LYS 2 CO 0.00 0.36 0.44 0.15 0.00 0.00 0.00 175.35 176.30 2k8r s LYS 3 N 0.18 1.10 -0.75 1.78 1.02 -1.26 -5.09 119.74 116.73 2k8r s LYS 3 Ca 0.09 -0.64 -0.25 0.00 0.02 0.00 0.00 55.97 55.19 2k8r s LYS 3 Cb -0.11 0.49 -0.14 0.00 -0.52 0.00 0.00 37.83 37.55 2k8r s LYS 3 CO -0.01 -0.44 2.41 -2.30 -0.92 0.00 0.00 175.35 174.10 2k8r n PRO 4 N -0.20 0.62 -3.51 -1.68 -0.02 -1.26 -4.57 135.00 124.38 2k8r n PRO 4 Ca -0.16 -0.68 -0.22 0.00 -2.02 0.00 0.00 63.50 60.42 2k8r n PRO 4 Cb 0.64 -3.55 -0.01 0.00 -0.02 0.00 0.00 33.50 30.55 2k8r n PRO 4 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2k8r s LYS 5 N 8.76 3.37 0.06 -0.52 2.20 0.35 -4.69 119.74 129.27 2k8r s LYS 5 Ca 0.96 -0.57 -0.06 0.00 -0.36 0.00 0.00 55.97 55.94 2k8r s LYS 5 Cb -0.17 -2.74 -0.01 0.00 -1.51 0.00 0.00 37.83 33.40 2k8r s LYS 5 CO 0.13 0.16 0.11 -0.48 -0.36 0.00 0.00 175.35 174.91 2k8r s LEU 6 N -4.23 1.79 -0.65 5.43 2.34 -1.24 -3.34 118.68 118.78 2k8r s LEU 6 Ca 0.40 -0.65 0.00 0.00 0.06 0.00 0.00 54.13 53.95 2k8r s LEU 6 Cb -0.09 0.68 0.16 0.00 -0.56 0.00 0.00 46.19 46.38 2k8r s LEU 6 CO 0.34 -0.60 0.45 -0.22 -1.06 0.00 0.00 176.35 175.26 2k8r s LEU 7 N -2.50 4.96 -0.07 1.48 2.96 -1.26 -2.54 118.68 121.71 2k8r s LEU 7 Ca 0.00 -3.18 -0.26 0.00 -0.22 0.00 0.00 54.13 50.48 2k8r s LEU 7 Cb 0.02 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2k8r s LEU 7 CO -0.07 -0.26 0.82 -0.47 -1.32 0.00 0.00 176.35 175.04 2k8r s TYR 8 N -0.53 3.56 -0.31 5.38 6.14 -0.84 -4.42 117.35 126.34 2k8r s TYR 8 Ca 0.20 1.39 -0.06 0.00 0.64 0.00 0.00 57.07 59.24 2k8r s TYR 8 Cb -0.18 -2.95 0.03 0.00 0.42 0.00 0.00 41.96 39.28 2k8r s TYR 8 CO -0.05 -0.02 0.07 0.00 0.64 0.00 0.00 175.55 176.18 2k8r n SER 10 N 4.80 2.60 -1.83 0.00 7.64 -1.19 -4.33 113.62 121.30 2k8r n SER 10 Ca -0.14 -2.60 -0.02 0.00 1.01 0.00 0.00 58.87 57.12 2k8r n SER 10 Cb 0.46 -1.04 0.07 0.00 -1.01 0.00 0.00 64.21 62.69 2k8r n SER 10 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2k8r n ASN 11 N 7.16 2.11 -1.04 6.43 2.85 -1.26 -4.85 115.26 126.65 2k8r n ASN 11 Ca 0.48 -2.74 0.00 0.00 -0.11 0.00 0.00 54.58 52.21 2k8r n ASN 11 Cb 0.36 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 40.97 2k8r n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k8r n GLY 12 N -0.40 -1.98 0.00 8.20 0.00 -1.26 -4.82 105.19 104.93 2k8r n GLY 12 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2k8r n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8r n GLY 13 N 0.21 -0.94 3.29 -0.02 0.00 -1.26 -4.87 105.19 101.61 2k8r n GLY 13 Ca 0.00 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 2k8r n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k8r s HIS 14 N 0.00 2.52 -0.11 1.61 3.76 -1.26 -4.88 115.29 116.93 2k8r s HIS 14 Ca 0.00 -0.71 0.03 0.00 -0.15 0.00 0.00 55.06 54.23 2k8r s HIS 14 Cb 0.00 -1.65 0.01 0.00 1.11 0.00 0.00 32.58 32.05 2k8r s HIS 14 CO 0.00 -0.21 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.43 2k8r s PHE 15 N -0.09 2.26 0.00 1.40 0.40 -1.19 0.10 117.98 120.86 2k8r s PHE 15 Ca -0.05 -1.00 0.00 0.00 -0.60 0.00 0.00 56.93 55.27 2k8r s PHE 15 Cb -0.14 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.83 2k8r s PHE 15 CO 0.04 -0.46 0.00 1.47 0.70 0.00 0.00 175.22 176.98 2k8r n LEU 16 N 3.86 0.00 -4.06 -0.37 -0.00 -1.08 -3.92 117.00 111.42 2k8r n LEU 16 Ca -0.20 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.62 2k8r n LEU 16 Cb 0.52 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.80 2k8r n LEU 16 CO 0.26 0.00 -0.45 -0.60 -0.00 0.00 0.00 177.39 176.61 2k8r s ARG 17 N 0.00 0.84 -0.03 1.47 3.52 -0.81 -3.48 118.95 120.46 2k8r s ARG 17 Ca 0.00 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 2k8r s ARG 17 Cb 0.00 -0.81 0.01 0.00 -1.56 0.00 0.00 34.95 32.59 2k8r s ARG 17 CO 0.00 0.22 -0.06 -1.50 -0.81 0.00 0.00 175.30 173.15 2k8r s ILE 18 N -0.41 0.58 -0.17 4.11 1.10 -1.26 0.20 121.20 125.34 2k8r s ILE 18 Ca 0.03 -0.22 -0.09 0.00 -0.51 0.00 0.00 60.65 59.86 2k8r s ILE 18 Cb -0.05 -0.55 -0.05 0.00 0.15 0.00 0.00 42.46 41.96 2k8r s ILE 18 CO -0.00 0.21 0.12 -0.76 -2.11 0.00 0.00 174.94 172.40 2k8r s LEU 19 N 0.45 4.22 0.39 8.50 2.01 0.33 -4.93 118.68 129.64 2k8r s LEU 19 Ca -0.06 0.29 0.22 0.00 0.01 0.00 0.00 54.13 54.59 2k8r s LEU 19 Cb -0.10 -2.07 1.27 0.00 0.01 0.00 0.00 46.19 45.31 2k8r s LEU 19 CO 0.00 0.25 1.64 1.55 1.01 0.00 0.00 176.35 180.80 2k8r h PRO 20 N 6.14 0.16 -0.35 1.29 0.13 -1.92 0.72 132.00 138.17 2k8r h PRO 20 Ca -0.45 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.77 2k8r h PRO 20 Cb 1.18 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2k8r h PRO 20 CO 0.70 0.11 0.42 -0.44 -0.23 0.00 0.00 178.00 178.56 2k8r h ASP 21 N 0.17 0.00 0.00 1.44 5.19 -1.95 -3.32 116.42 117.95 2k8r h ASP 21 Ca 0.78 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.19 2k8r h ASP 21 Cb 2.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.64 2k8r h ASP 21 CO -0.55 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.18 2k8r n GLY 22 N -1.46 0.64 3.50 2.75 0.00 0.25 -4.81 105.19 106.07 2k8r n GLY 22 Ca 0.06 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 2k8r n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8r s THR 23 N -1.01 -0.00 -0.06 2.61 2.01 -1.02 -4.49 115.64 113.68 2k8r s THR 23 Ca 0.00 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.04 2k8r s THR 23 Cb 0.00 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 2k8r s THR 23 CO 0.00 0.00 -0.15 0.54 -0.69 0.00 0.00 174.62 174.32 2k8r s VAL 24 N 0.49 3.01 0.00 3.82 0.11 -1.26 0.12 120.40 126.68 2k8r s VAL 24 Ca -0.01 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 2k8r s VAL 24 Cb -0.04 -2.18 0.00 0.00 -1.53 0.00 0.00 36.38 32.62 2k8r s VAL 24 CO -0.02 0.58 0.00 -0.90 -3.33 0.00 0.00 175.10 171.44 2k8r n ASP 25 N 2.47 0.00 -4.77 3.54 5.75 0.13 -4.43 116.55 119.24 2k8r n ASP 25 Ca -0.17 -0.89 -0.32 0.00 -0.01 0.00 0.00 54.79 53.40 2k8r n ASP 25 Cb 0.52 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.68 2k8r n ASP 25 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2k8r s GLY 26 N -0.89 1.86 0.00 6.12 0.00 -1.25 -1.92 107.32 111.24 2k8r s GLY 26 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.09 2k8r s GLY 26 CO 0.00 0.72 0.00 2.41 0.00 0.00 0.00 173.10 176.23 2k8r n THR 27 N -3.07 0.00 -5.00 0.90 -1.04 0.28 -4.47 114.28 101.89 2k8r n THR 27 Ca 0.09 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.83 2k8r n THR 27 Cb 0.53 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.88 2k8r n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k8r s ARG 28 N -2.00 1.94 0.18 -2.82 1.70 -1.26 -3.19 118.95 113.51 2k8r s ARG 28 Ca 0.00 -0.72 -0.23 0.00 -0.47 0.00 0.00 55.73 54.30 2k8r s ARG 28 Cb 0.00 -1.73 0.07 0.00 -0.57 0.00 0.00 34.95 32.72 2k8r s ARG 28 CO 0.00 0.34 0.98 0.34 -1.08 0.00 0.00 175.30 175.88 2k8r s ASP 29 N -0.17 -0.10 -1.41 -2.89 -1.08 -1.26 -5.06 116.67 104.71 2k8r s ASP 29 Ca -0.00 -0.56 -0.11 0.00 -0.52 0.00 0.00 52.55 51.36 2k8r s ASP 29 Cb -0.11 0.52 0.08 0.00 -1.46 0.00 0.00 42.92 41.95 2k8r s ASP 29 CO 0.02 -1.00 2.21 -1.14 0.52 0.00 0.00 175.17 175.78 2k8r n ARG 30 N -0.56 3.39 -0.78 4.34 3.00 -1.26 -4.45 116.66 120.34 2k8r n ARG 30 Ca -0.05 -2.95 0.00 0.00 -0.00 0.00 0.00 57.85 54.85 2k8r n ARG 30 Cb 0.60 -3.04 0.00 0.00 0.00 0.00 0.00 32.46 30.02 2k8r n ARG 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2k8r n SER 31 N 4.60 -0.70 -4.46 6.15 7.64 -1.26 -4.96 113.62 120.63 2k8r n SER 31 Ca 0.52 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 60.00 2k8r n SER 31 Cb 0.35 -1.40 -0.11 0.00 -1.01 0.00 0.00 64.21 62.04 2k8r n SER 31 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k8r s ASP 32 N -2.41 5.85 0.00 6.43 1.01 -1.26 -3.66 116.67 122.63 2k8r s ASP 32 Ca 0.00 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 52.63 2k8r s ASP 32 Cb 0.00 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.85 2k8r s ASP 32 CO 0.00 -0.28 0.00 1.67 0.21 0.00 0.00 175.17 176.77 2k8r n GLN 33 N 5.06 0.00 0.04 8.23 7.27 -1.26 -4.63 117.38 132.09 2k8r n GLN 33 Ca -0.13 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.84 2k8r n GLN 33 Cb 0.48 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 33.00 2k8r n GLN 33 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2k8r h HIS 34 N 0.00 0.16 0.00 3.69 6.17 -1.92 -3.43 115.15 119.82 2k8r h HIS 34 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.97 2k8r h HIS 34 Cb 0.00 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 29.92 2k8r h HIS 34 CO 0.00 1.13 0.00 -0.89 0.71 0.00 0.00 177.93 178.88 2k8r n ILE 35 N -3.31 0.00 -3.22 6.26 5.41 -1.26 -5.04 119.36 118.19 2k8r n ILE 35 Ca -0.09 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.70 2k8r n ILE 35 Cb 1.00 -0.05 -0.02 0.00 -0.71 0.00 0.00 39.64 39.86 2k8r n ILE 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2k8r s GLN 36 N -1.81 0.25 -0.14 0.38 0.74 -1.26 -4.87 119.66 112.94 2k8r s GLN 36 Ca 0.00 0.51 -0.17 0.00 0.05 0.00 0.00 55.36 55.75 2k8r s GLN 36 Cb 0.00 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 2k8r s GLN 36 CO 0.00 -0.21 0.41 -1.17 -0.55 0.00 0.00 175.29 173.77 2k8r s LEU 37 N 2.75 4.25 -0.12 3.68 0.20 -1.21 0.96 118.68 129.19 2k8r s LEU 37 Ca 0.01 0.68 0.02 0.00 0.69 0.00 0.00 54.13 55.52 2k8r s LEU 37 Cb -0.09 -2.57 -0.01 0.00 -0.43 0.00 0.00 46.19 43.09 2k8r s LEU 37 CO -0.14 0.01 -0.18 -1.10 -0.29 0.00 0.00 176.35 174.66 2k8r s GLN 38 N 0.70 3.24 -0.33 1.98 -0.21 0.39 -0.49 119.66 124.93 2k8r s GLN 38 Ca 0.22 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 54.82 2k8r s GLN 38 Cb -0.14 -2.50 0.12 0.00 1.00 0.00 0.00 33.01 31.49 2k8r s GLN 38 CO 0.08 0.18 0.18 -1.17 -2.12 0.00 0.00 175.29 172.44 2k8r s LEU 39 N 0.39 1.02 0.00 2.90 0.20 -1.25 0.17 118.68 122.10 2k8r s LEU 39 Ca -0.14 -1.86 0.00 0.00 0.69 0.00 0.00 54.13 52.82 2k8r s LEU 39 Cb -0.17 -0.45 0.00 0.00 -0.43 0.00 0.00 46.19 45.14 2k8r s LEU 39 CO 0.06 -0.36 0.00 -1.20 -0.29 0.00 0.00 176.35 174.56 2k8r n SER 40 N 4.49 0.00 -0.66 3.68 7.64 -0.98 -4.22 113.62 123.57 2k8r n SER 40 Ca 0.05 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.92 2k8r n SER 40 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2k8r n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8r n ALA 41 N 0.00 -0.05 -2.75 -0.43 0.00 -1.26 -3.87 120.51 112.16 2k8r n ALA 41 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 2k8r n ALA 41 Cb 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 2k8r n ALA 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k8r s GLU 42 N -4.93 1.89 0.88 0.00 0.41 -1.26 -4.81 118.70 110.88 2k8r s GLU 42 Ca 0.02 -1.84 -0.15 0.00 -0.41 0.00 0.00 54.97 52.59 2k8r s GLU 42 Cb -0.01 0.42 0.21 0.00 -1.78 0.00 0.00 34.13 32.96 2k8r s GLU 42 CO 0.02 -0.77 1.07 -1.13 -0.49 0.00 0.00 175.26 173.97 2k8r n SER 43 N -1.48 -0.43 -4.64 -0.19 3.41 -1.23 -4.90 113.62 104.15 2k8r n SER 43 Ca 0.03 -1.32 -0.43 0.00 -0.26 0.00 0.00 58.87 56.89 2k8r n SER 43 Cb 0.62 -0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 2k8r n SER 43 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2k8r s VAL 44 N -3.24 3.57 0.00 -3.33 0.11 -1.26 -3.20 120.40 113.05 2k8r s VAL 44 Ca 0.62 0.67 0.00 0.00 -2.93 0.00 0.00 61.98 60.34 2k8r s VAL 44 Cb -0.03 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 2k8r s VAL 44 CO 0.45 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 2k8r n GLY 45 N 4.47 2.81 3.73 6.54 0.00 -1.26 -5.02 105.19 116.45 2k8r n GLY 45 Ca 0.19 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 2k8r n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8r s GLU 46 N 0.00 4.48 0.02 1.61 2.02 -1.19 -0.56 118.70 125.08 2k8r s GLU 46 Ca 0.00 1.81 0.01 0.00 0.02 0.00 0.00 54.97 56.81 2k8r s GLU 46 Cb 0.00 -3.29 -0.02 0.00 0.10 0.00 0.00 34.13 30.93 2k8r s GLU 46 CO 0.00 -0.14 -0.04 0.14 0.02 0.00 0.00 175.26 175.24 2k8r s VAL 47 N 0.39 0.25 -0.29 2.63 -7.23 0.27 -3.55 120.40 112.87 2k8r s VAL 47 Ca 0.55 -0.71 -0.10 0.00 -1.81 0.00 0.00 61.98 59.90 2k8r s VAL 47 Cb -0.31 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.27 2k8r s VAL 47 CO 0.33 -0.30 0.17 -0.47 -0.31 0.00 0.00 175.10 174.52 2k8r s TYR 48 N -1.01 3.19 -0.32 2.82 5.04 -1.25 -0.99 117.35 124.82 2k8r s TYR 48 Ca -0.09 -0.19 -0.14 0.00 -2.44 0.00 0.00 57.07 54.22 2k8r s TYR 48 Cb -0.07 -2.37 -0.02 0.00 0.35 0.00 0.00 41.96 39.85 2k8r s TYR 48 CO -0.00 -0.30 0.29 0.42 -1.34 0.00 0.00 175.55 174.62 2k8r s ILE 49 N 1.70 5.23 -0.13 3.14 1.01 -1.23 -2.31 121.20 128.61 2k8r s ILE 49 Ca 0.06 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.77 2k8r s ILE 49 Cb -0.16 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.59 2k8r s ILE 49 CO 0.09 0.02 -0.20 -0.75 0.00 0.00 0.00 174.94 174.10 2k8r s LYS 50 N 1.88 3.13 -0.31 2.79 2.47 0.44 -3.76 119.74 126.38 2k8r s LYS 50 Ca 0.09 -0.81 -0.09 0.00 -1.56 0.00 0.00 55.97 53.60 2k8r s LYS 50 Cb -0.17 -2.46 0.00 0.00 -1.46 0.00 0.00 37.83 33.75 2k8r s LYS 50 CO 0.11 0.10 0.13 -1.12 0.16 0.00 0.00 175.35 174.73 2k8r s SER 51 N 0.57 5.43 0.02 1.43 0.01 -1.26 0.15 113.70 120.05 2k8r s SER 51 Ca -0.12 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2k8r s SER 51 Cb -0.16 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.10 2k8r s SER 51 CO 0.04 -0.22 0.00 0.41 0.41 0.00 0.00 173.24 173.88 2k8r n THR 52 N 4.94 -3.32 -0.19 1.44 -1.04 0.27 -2.88 114.28 113.50 2k8r n THR 52 Ca -0.14 0.39 -0.05 0.00 -2.04 0.00 0.00 64.05 62.21 2k8r n THR 52 Cb 0.48 -2.40 -0.05 0.00 -1.82 0.00 0.00 70.33 66.55 2k8r n THR 52 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k8r n GLU 53 N 0.22 -0.20 -3.68 -2.82 4.07 -1.22 -3.97 120.64 113.03 2k8r n GLU 53 Ca 0.00 0.85 -0.28 0.00 -0.06 0.00 0.00 57.16 57.68 2k8r n GLU 53 Cb 0.00 -1.26 -0.16 0.00 -0.06 0.00 0.00 31.44 29.96 2k8r n GLU 53 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2k8r s THR 54 N -4.68 0.33 0.00 6.31 -4.23 -1.26 -4.92 115.64 107.19 2k8r s THR 54 Ca -0.05 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2k8r s THR 54 Cb 0.05 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.92 2k8r s THR 54 CO 0.28 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2k8r n GLY 55 N 5.11 0.43 3.97 3.99 0.00 -1.25 -5.14 105.19 112.30 2k8r n GLY 55 Ca -0.07 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2k8r n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k8r s GLN 56 N 0.00 3.42 -0.25 1.61 -1.52 -1.14 -4.33 119.66 117.46 2k8r s GLN 56 Ca 0.00 -0.76 -0.03 0.00 -1.95 0.00 0.00 55.36 52.61 2k8r s GLN 56 Cb 0.00 -2.88 0.10 0.00 -0.22 0.00 0.00 33.01 30.02 2k8r s GLN 56 CO 0.00 0.39 0.20 -0.47 -0.25 0.00 0.00 175.29 175.16 2k8r s TYR 57 N -2.01 -0.12 -0.14 0.91 6.14 0.42 -4.17 117.35 118.39 2k8r s TYR 57 Ca 0.35 -0.24 -0.29 0.00 0.64 0.00 0.00 57.07 57.53 2k8r s TYR 57 Cb -0.09 -0.57 -0.05 0.00 0.42 0.00 0.00 41.96 41.67 2k8r s TYR 57 CO 0.29 -0.74 1.75 -1.17 0.64 0.00 0.00 175.55 176.32 2k8r s LEU 58 N 2.25 4.04 0.03 6.97 1.98 -1.25 -3.28 118.68 129.43 2k8r s LEU 58 Ca 0.08 1.98 0.02 0.00 -2.89 0.00 0.00 54.13 53.31 2k8r s LEU 58 Cb -0.15 -3.53 -0.02 0.00 0.66 0.00 0.00 46.19 43.15 2k8r s LEU 58 CO -0.24 -1.22 -0.07 0.00 -1.89 0.00 0.00 176.35 172.93 2k8r s ALA 59 N 5.14 0.49 0.31 5.97 0.00 0.40 -4.42 121.76 129.66 2k8r s ALA 59 Ca 0.78 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.01 2k8r s ALA 59 Cb -0.31 0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.77 2k8r s ALA 59 CO 0.32 -0.01 0.64 0.00 0.00 0.00 0.00 175.76 176.70 2k8r s MET 60 N -1.28 3.77 0.03 0.00 0.23 -0.92 -0.71 119.30 120.43 2k8r s MET 60 Ca -0.08 0.30 -0.12 0.00 -1.03 0.00 0.00 55.69 54.75 2k8r s MET 60 Cb -0.08 -2.55 -0.06 0.00 -1.53 0.00 0.00 34.83 30.61 2k8r s MET 60 CO 0.00 0.16 0.40 0.34 -2.03 0.00 0.00 175.02 173.89 2k8r s ASP 61 N -2.83 6.73 0.44 -1.18 -1.08 0.38 -4.90 116.67 114.23 2k8r s ASP 61 Ca 0.48 0.88 0.11 0.00 -0.52 0.00 0.00 52.55 53.51 2k8r s ASP 61 Cb -0.11 -2.22 1.01 0.00 -1.46 0.00 0.00 42.92 40.15 2k8r s ASP 61 CO 0.26 0.26 2.05 0.00 0.52 0.00 0.00 175.17 178.26 2k8r h THR 62 N 3.34 1.01 0.00 1.71 1.03 -1.98 -3.08 112.91 114.94 2k8r h THR 62 Ca -0.51 -0.13 -0.05 0.00 -0.01 0.00 0.00 66.41 65.72 2k8r h THR 62 Cb 1.21 0.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.87 2k8r h THR 62 CO 0.63 0.07 -0.30 -0.78 -0.01 0.00 0.00 175.52 175.13 2k8r h ASP 63 N 0.39 0.00 0.00 0.00 3.58 -2.04 -3.49 116.42 114.87 2k8r h ASP 63 Ca 0.16 -0.56 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2k8r h ASP 63 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2k8r h ASP 63 CO -0.04 0.95 0.00 0.61 -2.88 0.00 0.00 179.24 177.88 2k8r n GLY 64 N 1.62 -1.44 3.47 -0.78 0.00 -1.16 -4.49 105.19 102.40 2k8r n GLY 64 Ca -0.12 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 2k8r n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k8r s LEU 65 N 0.00 -0.56 -0.13 0.99 1.98 -1.26 -3.30 118.68 116.40 2k8r s LEU 65 Ca 0.00 0.21 0.02 0.00 -2.89 0.00 0.00 54.13 51.48 2k8r s LEU 65 Cb 0.00 2.47 0.01 0.00 0.66 0.00 0.00 46.19 49.33 2k8r s LEU 65 CO 0.00 -0.79 -0.20 -0.76 -1.89 0.00 0.00 176.35 172.70 2k8r s LEU 66 N -2.21 2.01 0.16 -0.68 1.02 -1.26 0.14 118.68 117.86 2k8r s LEU 66 Ca -0.02 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 53.59 2k8r s LEU 66 Cb -0.01 -1.35 -0.05 0.00 0.02 0.00 0.00 46.19 44.81 2k8r s LEU 66 CO -0.06 0.06 -0.01 -0.72 0.02 0.00 0.00 176.35 175.65 2k8r s TYR 67 N 0.87 1.18 -0.16 0.29 1.13 0.11 -4.22 117.35 116.55 2k8r s TYR 67 Ca -0.07 -0.99 0.09 0.00 -1.41 0.00 0.00 57.07 54.69 2k8r s TYR 67 Cb -0.15 -0.67 0.17 0.00 -1.10 0.00 0.00 41.96 40.21 2k8r s TYR 67 CO -0.02 -0.19 1.11 0.41 -2.51 0.00 0.00 175.55 174.35 2k8r n GLY 68 N -0.22 3.69 3.61 5.49 0.00 -1.25 0.15 105.19 116.66 2k8r n GLY 68 Ca -0.07 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 2k8r n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k8r s SER 69 N -1.70 5.70 -0.89 1.61 0.01 -1.20 0.16 113.70 117.38 2k8r s SER 69 Ca 0.16 1.81 -0.24 0.00 1.31 0.00 0.00 55.95 59.00 2k8r s SER 69 Cb 0.13 -2.52 -0.22 0.00 0.21 0.00 0.00 66.02 63.63 2k8r s SER 69 CO 0.03 -1.78 2.32 1.67 0.41 0.00 0.00 173.24 175.90 2k8r n GLN 70 N 8.50 0.00 -3.10 12.44 0.00 -1.26 -4.56 117.38 129.40 2k8r n GLN 70 Ca 0.27 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 57.19 2k8r n GLN 70 Cb 0.45 -1.26 -0.03 0.00 0.00 0.00 0.00 30.24 29.41 2k8r n GLN 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2k8r s THR 71 N 6.55 -0.71 -0.13 1.69 2.01 -1.26 -4.96 115.64 118.83 2k8r s THR 71 Ca 1.21 -0.85 -0.37 0.00 0.31 0.00 0.00 61.69 61.99 2k8r s THR 71 Cb -1.06 -0.27 -0.14 0.00 0.01 0.00 0.00 72.50 71.03 2k8r s THR 71 CO 0.45 -0.26 1.72 -0.81 -0.69 0.00 0.00 174.62 175.03 2k8r n PRO 72 N 3.69 1.59 -3.54 4.92 -0.04 -1.26 -4.94 135.00 135.41 2k8r n PRO 72 Ca 0.16 0.58 -0.08 0.00 -0.04 0.00 0.00 63.50 64.11 2k8r n PRO 72 Cb 0.53 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 2k8r n PRO 72 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2k8r s ASN 73 N 3.07 -0.33 0.50 3.54 3.84 -1.26 -5.02 114.94 119.29 2k8r s ASN 73 Ca 0.93 0.11 0.27 0.00 0.21 0.00 0.00 52.86 54.38 2k8r s ASN 73 Cb -0.89 0.33 1.36 0.00 -0.55 0.00 0.00 41.25 41.50 2k8r s ASN 73 CO 0.56 -0.49 1.89 -0.33 -2.79 0.00 0.00 177.10 175.94 2k8r h GLU 74 N 2.15 0.11 0.00 0.43 5.08 -1.99 0.63 114.58 120.99 2k8r h GLU 74 Ca -0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2k8r h GLU 74 Cb 1.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k8r h GLU 74 CO 0.30 0.07 0.16 0.39 -1.00 0.00 0.00 179.01 178.93 2k8r n GLU 75 N -4.35 0.03 0.00 2.33 4.71 -1.26 -0.20 120.64 121.90 2k8r n GLU 75 Ca 0.18 0.44 0.13 0.00 -0.01 0.00 0.00 57.16 57.90 2k8r n GLU 75 Cb 0.85 -1.77 0.50 0.00 -1.01 0.00 0.00 31.44 30.02 2k8r n GLU 75 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k8r s LEU 77 N -2.89 4.07 0.31 0.00 2.01 0.72 -3.51 118.68 119.38 2k8r s LEU 77 Ca 0.16 0.76 0.06 0.00 0.01 0.00 0.00 54.13 55.13 2k8r s LEU 77 Cb 0.19 -2.93 -0.06 0.00 0.01 0.00 0.00 46.19 43.40 2k8r s LEU 77 CO 0.57 -0.41 -0.04 -0.36 1.01 0.00 0.00 176.35 177.12 2k8r s PHE 78 N 2.59 2.05 -0.23 0.29 0.40 -0.16 -3.10 117.98 119.82 2k8r s PHE 78 Ca 0.28 -0.72 -0.05 0.00 -0.60 0.00 0.00 56.93 55.84 2k8r s PHE 78 Cb -0.15 -1.23 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 2k8r s PHE 78 CO 0.08 0.28 0.00 -1.17 0.70 0.00 0.00 175.22 175.12 2k8r s LEU 79 N -3.49 3.12 -0.30 -0.37 1.98 0.02 0.98 118.68 120.62 2k8r s LEU 79 Ca 0.31 -0.31 -0.13 0.00 -2.89 0.00 0.00 54.13 51.12 2k8r s LEU 79 Cb 0.05 -1.81 -0.03 0.00 0.66 0.00 0.00 46.19 45.05 2k8r s LEU 79 CO 0.14 -0.02 0.26 -0.70 -1.89 0.00 0.00 176.35 174.13 2k8r s GLU 80 N 1.51 3.78 -0.42 1.98 2.12 0.28 -2.30 118.70 125.65 2k8r s GLU 80 Ca 0.06 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.03 2k8r s GLU 80 Cb -0.15 -3.72 0.11 0.00 0.26 0.00 0.00 34.13 30.64 2k8r s GLU 80 CO -0.00 -0.31 0.17 0.50 -0.54 0.00 0.00 175.26 175.08 2k8r s ARG 81 N 1.83 1.85 -0.24 4.30 3.52 0.16 -4.66 118.95 125.72 2k8r s ARG 81 Ca 0.09 -2.01 -0.15 0.00 -0.13 0.00 0.00 55.73 53.53 2k8r s ARG 81 Cb -0.16 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 2k8r s ARG 81 CO 0.11 -1.03 0.36 -1.17 -0.81 0.00 0.00 175.30 172.75 2k8r s LEU 82 N 0.76 4.09 -0.30 -0.88 2.96 -1.26 0.15 118.68 124.21 2k8r s LEU 82 Ca 0.11 0.36 0.08 0.00 -0.22 0.00 0.00 54.13 54.46 2k8r s LEU 82 Cb -0.21 -2.42 0.66 0.00 0.50 0.00 0.00 46.19 44.71 2k8r s LEU 82 CO -0.05 -0.11 1.70 1.21 -1.32 0.00 0.00 176.35 177.78 2k8r n GLU 83 N 4.86 3.33 0.00 1.98 2.13 -0.60 -4.95 120.64 127.40 2k8r n GLU 83 Ca -0.09 -2.72 0.00 0.00 0.66 0.00 0.00 57.16 55.01 2k8r n GLU 83 Cb 0.51 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 30.11 2k8r n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k8r n GLU 84 N -0.17 0.00 -0.62 5.31 2.13 -1.26 -4.75 120.64 121.29 2k8r n GLU 84 Ca 0.38 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.76 2k8r n GLU 84 Cb 1.31 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.91 2k8r n GLU 84 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2k8r n ASN 85 N 0.93 1.25 -3.72 4.31 5.15 -1.26 -4.33 115.26 117.60 2k8r n ASN 85 Ca 0.00 -2.53 -0.22 0.00 -0.60 0.00 0.00 54.58 51.23 2k8r n ASN 85 Cb 0.00 -0.61 -0.07 0.00 -0.53 0.00 0.00 39.78 38.57 2k8r n ASN 85 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k8r n HIS 86 N 8.87 -0.85 -3.60 1.20 1.44 -1.26 -4.87 115.22 116.16 2k8r n HIS 86 Ca 0.47 0.42 -0.10 0.00 -2.01 0.00 0.00 57.72 56.50 2k8r n HIS 86 Cb 0.42 -1.83 -0.06 0.00 0.12 0.00 0.00 29.99 28.64 2k8r n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2k8r s TYR 87 N -3.80 -0.39 0.12 -1.40 -0.85 -1.26 -4.73 117.35 105.04 2k8r s TYR 87 Ca 0.06 0.78 -0.07 0.00 -0.52 0.00 0.00 57.07 57.31 2k8r s TYR 87 Cb -0.03 0.42 -0.01 0.00 0.38 0.00 0.00 41.96 42.72 2k8r s TYR 87 CO 0.68 -0.30 0.20 0.54 -1.52 0.00 0.00 175.55 175.15 2k8r s ASN 88 N -0.68 0.13 0.02 -0.18 2.20 -0.13 -1.55 114.94 114.74 2k8r s ASN 88 Ca -0.00 -0.83 0.08 0.00 -0.94 0.00 0.00 52.86 51.17 2k8r s ASN 88 Cb -0.02 0.37 -0.02 0.00 -2.00 0.00 0.00 41.25 39.57 2k8r s ASN 88 CO -0.01 -0.79 -0.24 0.42 -2.94 0.00 0.00 177.10 173.54 2k8r s THR 89 N -3.93 1.89 -0.03 0.54 -4.23 0.40 -3.34 115.64 106.93 2k8r s THR 89 Ca 0.12 -1.17 0.07 0.00 -1.18 0.00 0.00 61.69 59.54 2k8r s THR 89 Cb 0.05 -1.60 -0.01 0.00 1.34 0.00 0.00 72.50 72.27 2k8r s THR 89 CO -0.05 0.39 -0.24 -0.31 -0.54 0.00 0.00 174.62 173.88 2k8r s TYR 90 N -0.69 2.19 0.02 3.99 2.02 -1.26 0.37 117.35 123.99 2k8r s TYR 90 Ca 0.09 -0.51 -0.02 0.00 -0.37 0.00 0.00 57.07 56.27 2k8r s TYR 90 Cb -0.09 -1.42 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 2k8r s TYR 90 CO 0.01 -0.10 0.02 0.96 -1.57 0.00 0.00 175.55 174.86 2k8r s ILE 91 N -0.39 0.12 -0.75 2.71 -4.36 -0.97 -3.73 121.20 113.83 2k8r s ILE 91 Ca 0.04 -1.01 -0.26 0.00 -0.26 0.00 0.00 60.65 59.16 2k8r s ILE 91 Cb -0.11 -0.54 -0.04 0.00 1.25 0.00 0.00 42.46 43.02 2k8r s ILE 91 CO 0.01 -0.56 1.98 -0.44 0.24 0.00 0.00 174.94 176.17 2k8r s SER 92 N -1.72 5.05 0.13 4.36 0.01 -1.26 -0.80 113.70 119.47 2k8r s SER 92 Ca -0.11 -0.09 -0.32 0.00 1.31 0.00 0.00 55.95 56.74 2k8r s SER 92 Cb -0.06 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.54 2k8r s SER 92 CO -0.02 -2.69 1.56 0.50 0.41 0.00 0.00 173.24 173.00 2k8r h LYS 93 N 13.46 -0.42 -0.23 12.44 3.11 -1.83 0.40 116.57 143.51 2k8r h LYS 93 Ca -0.08 0.03 0.07 0.00 -2.81 0.00 0.00 60.65 57.86 2k8r h LYS 93 Cb 1.09 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.40 2k8r h LYS 93 CO 1.20 -0.28 0.20 -0.22 -2.81 0.00 0.00 179.45 177.53 2k8r h LYS 94 N -0.44 0.00 -1.32 1.90 3.64 -1.87 -2.25 116.57 116.23 2k8r h LYS 94 Ca 0.08 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.81 2k8r h LYS 94 Cb 0.62 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.09 2k8r h LYS 94 CO -0.55 0.00 0.14 0.72 -2.27 0.00 0.00 179.45 177.49 2k8r n HIS 95 N -4.11 3.10 -0.36 1.91 8.25 0.09 -4.79 115.22 119.31 2k8r n HIS 95 Ca 0.03 -2.68 0.27 0.00 -0.26 0.00 0.00 57.72 55.08 2k8r n HIS 95 Cb 0.34 -0.79 0.52 0.00 1.12 0.00 0.00 29.99 31.18 2k8r n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k8r h ALA 96 N 2.44 2.23 -0.09 -1.41 0.00 -0.95 0.89 119.26 122.37 2k8r h ALA 96 Ca 0.47 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.53 2k8r h ALA 96 Cb 0.81 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k8r h ALA 96 CO 1.18 -0.78 0.11 0.93 0.00 0.00 0.00 179.25 180.70 2k8r h GLU 97 N 0.30 0.00 -1.94 0.00 4.39 -1.88 -2.65 114.58 112.80 2k8r h GLU 97 Ca 0.71 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.87 2k8r h GLU 97 Cb 1.83 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 30.07 2k8r h GLU 97 CO -0.46 0.00 -0.85 1.63 -1.16 0.00 0.00 179.01 178.17 2k8r n LYS 98 N -3.73 2.51 -0.73 2.33 5.02 0.31 -4.99 118.16 118.87 2k8r n LYS 98 Ca -0.01 -4.27 -0.31 0.00 -2.02 0.00 0.00 58.31 51.70 2k8r n LYS 98 Cb 0.21 -2.01 -0.05 0.00 -0.02 0.00 0.00 35.03 33.16 2k8r n LYS 98 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2k8r n ASN 99 N -0.15 2.44 -4.66 4.39 6.94 -1.00 -4.73 115.26 118.48 2k8r n ASN 99 Ca 0.29 -2.44 -0.41 0.00 -0.02 0.00 0.00 54.58 51.99 2k8r n ASN 99 Cb 0.55 -0.89 -0.05 0.00 -2.36 0.00 0.00 39.78 37.04 2k8r n ASN 99 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2k8r s TRP 100 N 4.99 3.40 0.36 -2.53 0.52 -1.26 -4.92 118.94 119.50 2k8r s TRP 100 Ca 0.46 1.16 -0.28 0.00 0.02 0.00 0.00 56.10 57.45 2k8r s TRP 100 Cb 0.11 -2.96 -0.11 0.00 -1.15 0.00 0.00 33.47 29.36 2k8r s TRP 100 CO 0.11 -0.24 1.51 -0.06 0.02 0.00 0.00 176.95 178.29 2k8r s PHE 101 N 2.17 2.59 0.00 -1.98 0.08 -1.26 -4.56 117.98 115.02 2k8r s PHE 101 Ca 0.35 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.49 2k8r s PHE 101 Cb -0.16 -4.05 0.00 0.00 -0.57 0.00 0.00 43.02 38.24 2k8r s PHE 101 CO 0.11 -3.16 0.00 1.33 -0.10 0.00 0.00 175.22 173.40 2k8r n VAL 102 N 0.74 0.00 0.00 -0.44 0.24 -1.24 -4.65 118.33 112.98 2k8r n VAL 102 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2k8r n VAL 102 Cb 0.39 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 2k8r n VAL 102 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k8r n GLY 103 N 4.13 2.52 0.17 7.63 0.00 -1.26 -4.57 105.19 113.80 2k8r n GLY 103 Ca 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.86 2k8r n GLY 103 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k8r n LEU 104 N 0.00 0.00 -4.10 0.99 -0.00 -1.26 -0.66 117.00 111.97 2k8r n LEU 104 Ca 0.00 -0.14 -0.12 0.00 -0.00 0.00 0.00 56.01 55.75 2k8r n LEU 104 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.32 2k8r n LEU 104 CO 0.00 -0.19 -0.40 -0.75 -0.00 0.00 0.00 177.39 176.05 2k8r s LYS 105 N -2.10 0.64 0.53 1.47 2.47 -1.26 -4.81 119.74 116.69 2k8r s LYS 105 Ca 0.01 -0.98 0.37 0.00 -1.56 0.00 0.00 55.97 53.82 2k8r s LYS 105 Cb -0.00 -0.26 1.54 0.00 -1.46 0.00 0.00 37.83 37.65 2k8r s LYS 105 CO 0.01 0.02 1.76 1.57 0.16 0.00 0.00 175.35 178.87 2k8r h LYS 106 N 3.92 0.03 0.00 4.03 2.10 -1.89 0.89 116.57 125.65 2k8r h LYS 106 Ca -0.36 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.28 2k8r h LYS 106 Cb 1.19 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2k8r h LYS 106 CO 0.50 0.02 -0.04 -0.97 -2.00 0.00 0.00 179.45 176.96 2k8r h ASN 107 N 0.03 0.00 0.00 7.07 -0.73 -1.95 -3.33 115.58 116.67 2k8r h ASN 107 Ca 0.64 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.81 2k8r h ASN 107 Cb 2.46 0.00 0.00 0.00 0.27 0.00 0.00 38.32 41.05 2k8r h ASN 107 CO -0.05 0.04 0.00 0.61 -0.37 0.00 0.00 177.43 177.66 2k8r n GLY 108 N -1.29 3.12 3.56 1.57 0.00 0.31 -4.96 105.19 107.49 2k8r n GLY 108 Ca -0.03 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 2k8r n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k8r s SER 109 N 0.00 4.33 1.08 1.61 0.01 -1.26 -4.43 113.70 115.04 2k8r s SER 109 Ca 0.00 0.33 -0.15 0.00 1.31 0.00 0.00 55.95 57.44 2k8r s SER 109 Cb 0.00 -2.53 0.15 0.00 0.21 0.00 0.00 66.02 63.85 2k8r s SER 109 CO 0.00 -3.30 0.49 0.00 0.41 0.00 0.00 173.24 170.85 2k8r s LYS 111 N -3.88 0.80 -0.01 0.00 -0.14 0.17 -4.90 119.74 111.78 2k8r s LYS 111 Ca 0.61 -1.61 -0.00 0.00 -1.36 0.00 0.00 55.97 53.61 2k8r s LYS 111 Cb -0.19 -1.62 -0.01 0.00 -1.68 0.00 0.00 37.83 34.34 2k8r s LYS 111 CO 0.65 -1.21 -0.01 -2.13 -0.76 0.00 0.00 175.35 171.89 2k8r n ARG 112 N 3.78 0.03 0.06 1.68 0.00 -1.26 -4.45 116.66 116.50 2k8r n ARG 112 Ca 0.13 0.01 -0.21 0.00 -0.00 0.00 0.00 57.85 57.78 2k8r n ARG 112 Cb 0.37 -0.80 -0.12 0.00 0.00 0.00 0.00 32.46 31.91 2k8r n ARG 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2k8r h GLY 113 N 0.03 0.68 -0.26 5.14 0.00 -1.78 -3.37 103.07 103.51 2k8r h GLY 113 Ca -0.03 -1.31 0.04 0.00 0.00 0.00 0.00 47.33 46.03 2k8r h GLY 113 CO -0.01 1.16 -0.54 -2.55 0.00 0.00 0.00 176.54 174.60 2k8r h PRO 114 N 0.22 -0.46 0.00 4.80 0.11 -1.88 -3.44 132.00 131.35 2k8r h PRO 114 Ca -0.15 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2k8r h PRO 114 Cb 1.74 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.96 2k8r h PRO 114 CO 0.21 -0.31 0.00 -2.13 -0.21 0.00 0.00 178.00 175.56 2k8r n ARG 115 N -5.41 0.00 -3.79 1.05 0.63 -1.26 -5.15 116.66 102.73 2k8r n ARG 115 Ca -0.04 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.53 2k8r n ARG 115 Cb 0.36 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.17 2k8r n ARG 115 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2k8r s THR 116 N 0.00 5.09 0.00 5.15 -1.32 -1.26 -4.66 115.64 118.64 2k8r s THR 116 Ca 0.00 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 2k8r s THR 116 Cb 0.00 -3.34 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 2k8r s THR 116 CO 0.00 0.40 0.00 1.41 -2.21 0.00 0.00 174.62 174.22 2k8r n HIS 117 N 3.98 0.00 -2.48 9.09 -0.00 -1.26 -4.78 115.22 119.78 2k8r n HIS 117 Ca -0.16 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.23 2k8r n HIS 117 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.48 2k8r n HIS 117 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2k8r s TYR 118 N 0.00 3.11 0.00 4.41 2.02 -1.26 -4.83 117.35 120.80 2k8r s TYR 118 Ca 0.00 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.26 2k8r s TYR 118 Cb 0.00 -2.98 0.00 0.00 -0.40 0.00 0.00 41.96 38.58 2k8r s TYR 118 CO 0.00 -0.69 0.00 0.41 -1.57 0.00 0.00 175.55 173.70 2k8r n GLY 119 N -0.64 -3.10 0.34 0.71 0.00 -1.26 -4.47 105.19 96.77 2k8r n GLY 119 Ca 0.08 -1.02 0.18 0.00 0.00 0.00 0.00 46.02 45.27 2k8r n GLY 119 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k8r h GLN 120 N 0.00 0.00 -0.62 1.61 4.20 -1.89 -1.34 115.11 117.07 2k8r h GLN 120 Ca 0.00 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.89 2k8r h GLN 120 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2k8r h GLN 120 CO 0.00 0.00 0.50 1.57 -0.67 0.00 0.00 178.83 180.23 2k8r h LYS 121 N 0.00 0.00 0.00 1.46 5.09 -1.89 0.37 116.57 121.60 2k8r h LYS 121 Ca 0.09 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.68 2k8r h LYS 121 Cb 0.57 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.88 2k8r h LYS 121 CO -0.00 0.00 -0.74 0.00 -2.09 0.00 0.00 179.45 176.62 2k8r h ALA 122 N 1.58 0.70 -1.86 0.07 0.00 -1.46 -3.39 119.26 114.89 2k8r h ALA 122 Ca 0.30 -0.67 -0.53 0.00 0.00 0.00 0.00 54.91 54.01 2k8r h ALA 122 Cb 1.30 -0.12 -0.36 0.00 0.00 0.00 0.00 17.79 18.61 2k8r h ALA 122 CO -0.00 0.92 -1.04 -0.89 0.00 0.00 0.00 179.25 178.24 2k8r n ILE 123 N -3.54 -0.69 -2.68 0.00 -0.00 0.12 -4.58 119.36 107.99 2k8r n ILE 123 Ca -0.00 -3.69 -0.06 0.00 -0.00 0.00 0.00 62.75 59.00 2k8r n ILE 123 Cb 0.75 -1.60 0.06 0.00 -0.00 0.00 0.00 39.64 38.85 2k8r n ILE 123 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 2k8r n LEU 124 N 1.61 -1.58 -4.71 1.39 7.94 -0.45 -4.86 117.00 116.34 2k8r n LEU 124 Ca 0.21 -2.70 -0.36 0.00 -1.11 0.00 0.00 56.01 52.05 2k8r n LEU 124 Cb 0.53 0.48 -0.08 0.00 0.53 0.00 0.00 43.42 44.89 2k8r n LEU 124 CO 0.15 1.58 -0.09 -0.36 -1.11 0.00 0.00 177.39 177.56 2k8r s PHE 125 N 0.13 3.41 -0.48 1.96 0.08 -1.21 -3.18 117.98 118.68 2k8r s PHE 125 Ca 0.14 0.43 0.04 0.00 0.12 0.00 0.00 56.93 57.67 2k8r s PHE 125 Cb 0.25 -2.28 0.12 0.00 -0.57 0.00 0.00 43.02 40.55 2k8r s PHE 125 CO -0.06 0.21 0.22 -1.17 -0.10 0.00 0.00 175.22 174.31 2k8r s LEU 126 N 0.60 4.39 0.00 -0.37 2.96 0.20 -0.96 118.68 125.50 2k8r s LEU 126 Ca 0.12 -2.84 -0.00 0.00 -0.22 0.00 0.00 54.13 51.19 2k8r s LEU 126 Cb -0.12 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 44.96 2k8r s LEU 126 CO 0.02 -0.26 0.18 -0.81 -1.32 0.00 0.00 176.35 174.16 2k8r n PRO 127 N 3.34 0.45 -2.77 0.98 -0.04 -1.26 -1.98 135.00 133.72 2k8r n PRO 127 Ca 0.05 -0.48 -0.38 0.00 -0.04 0.00 0.00 63.50 62.64 2k8r n PRO 127 Cb 0.34 -0.13 -0.06 0.00 -0.04 0.00 0.00 33.50 33.61 2k8r n PRO 127 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k8r s LEU 128 N 0.00 4.49 0.34 1.53 2.96 -1.05 -4.91 118.68 122.03 2k8r s LEU 128 Ca 0.12 1.89 0.19 0.00 -0.22 0.00 0.00 54.13 56.10 2k8r s LEU 128 Cb -0.01 -3.82 1.02 0.00 0.50 0.00 0.00 46.19 43.88 2k8r s LEU 128 CO 0.08 0.04 1.53 -0.65 -1.32 0.00 0.00 176.35 176.03 2k8r h PRO 129 N 3.64 0.00 -6.26 0.98 0.11 -1.97 -3.42 132.00 125.07 2k8r h PRO 129 Ca -0.46 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.09 2k8r h PRO 129 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2k8r h PRO 129 CO 0.66 0.00 1.14 0.14 -0.21 0.00 0.00 178.00 179.73 2k8r s VAL 130 N -3.48 3.61 0.17 3.15 -7.23 -1.26 -4.96 120.40 110.39 2k8r s VAL 130 Ca -0.02 0.70 -0.23 0.00 -1.81 0.00 0.00 61.98 60.62 2k8r s VAL 130 Cb 0.05 -3.57 0.07 0.00 0.56 0.00 0.00 36.38 33.49 2k8r s VAL 130 CO 0.17 -0.20 0.60 -0.44 -0.31 0.00 0.00 175.10 174.92 2k8r s SER 131 N 4.21 -0.54 -1.37 4.85 0.01 -1.26 -4.85 113.70 114.75 2k8r s SER 131 Ca 0.74 -0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.79 2k8r s SER 131 Cb -0.28 0.60 0.06 0.00 0.21 0.00 0.00 66.02 66.61 2k8r s SER 131 CO 0.30 -0.99 1.96 -1.20 0.41 0.00 0.00 173.24 173.72 2k8r n SER 132 N -0.38 4.46 0.00 2.44 7.64 -1.26 -5.00 113.62 121.53 2k8r n SER 132 Ca -0.16 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.83 2k8r n SER 132 Cb 0.65 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 2k8r n SER 132 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36