#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 3.53 0.08 -3.48 0.00 -1.26 -4.63 119.74 113.98 2k8r s LYS 2 Ca 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 55.97 54.57 2k8r s LYS 2 Cb 0.00 -5.39 -0.04 0.00 0.00 0.00 0.00 37.83 32.41 2k8r s LYS 2 CO 0.00 -2.53 0.02 0.15 0.00 0.00 0.00 175.35 172.99 2k8r s LYS 3 N 5.04 0.73 -0.08 1.78 1.02 -1.26 -5.12 119.74 121.86 2k8r s LYS 3 Ca 0.54 -1.26 -0.29 0.00 0.02 0.00 0.00 55.97 54.97 2k8r s LYS 3 Cb 0.01 0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.49 2k8r s LYS 3 CO 0.00 -0.17 1.88 -2.14 -0.92 0.00 0.00 175.35 174.00 2k8r s PRO 4 N -3.95 3.90 0.35 -1.68 0.02 -1.26 -4.56 135.00 127.81 2k8r s PRO 4 Ca 0.12 2.24 0.09 0.00 0.02 0.00 0.00 61.00 63.46 2k8r s PRO 4 Cb 0.08 -4.14 -0.05 0.00 0.02 0.00 0.00 34.50 30.40 2k8r s PRO 4 CO -0.06 -1.21 0.04 0.21 -0.33 0.00 0.00 177.00 175.64 2k8r s LYS 5 N 4.76 2.12 0.07 5.54 2.20 0.30 -4.85 119.74 129.88 2k8r s LYS 5 Ca 0.84 -1.74 -0.06 0.00 -0.36 0.00 0.00 55.97 54.65 2k8r s LYS 5 Cb -0.36 -1.95 -0.01 0.00 -1.51 0.00 0.00 37.83 34.00 2k8r s LYS 5 CO 0.35 0.11 0.12 -0.48 -0.36 0.00 0.00 175.35 175.09 2k8r s LEU 6 N -3.74 1.77 -0.53 5.43 2.34 -1.26 -3.56 118.68 119.13 2k8r s LEU 6 Ca 0.35 -0.75 0.03 0.00 0.06 0.00 0.00 54.13 53.82 2k8r s LEU 6 Cb 0.00 0.76 0.13 0.00 -0.56 0.00 0.00 46.19 46.53 2k8r s LEU 6 CO 0.20 -0.68 0.28 -0.22 -1.06 0.00 0.00 176.35 174.87 2k8r s LEU 7 N -2.83 4.54 -0.18 1.48 2.96 -1.26 -3.32 118.68 120.07 2k8r s LEU 7 Ca 0.05 -2.91 -0.25 0.00 -0.22 0.00 0.00 54.13 50.80 2k8r s LEU 7 Cb 0.05 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 2k8r s LEU 7 CO -0.10 -0.27 0.81 -0.47 -1.32 0.00 0.00 176.35 174.99 2k8r s TYR 8 N -0.15 3.41 -0.21 5.38 6.14 0.11 -4.40 117.35 127.62 2k8r s TYR 8 Ca 0.16 1.21 -0.09 0.00 0.64 0.00 0.00 57.07 59.00 2k8r s TYR 8 Cb -0.24 -2.99 -0.04 0.00 0.42 0.00 0.00 41.96 39.10 2k8r s TYR 8 CO -0.01 -0.25 0.10 0.00 0.64 0.00 0.00 175.55 176.03 2k8r n SER 10 N 3.97 3.63 -1.59 0.00 2.88 -1.15 -4.39 113.62 116.98 2k8r n SER 10 Ca -0.16 -2.77 0.01 0.00 -1.33 0.00 0.00 58.87 54.62 2k8r n SER 10 Cb 0.52 -1.70 0.01 0.00 -0.75 0.00 0.00 64.21 62.29 2k8r n SER 10 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2k8r n ASN 11 N 11.90 0.51 -2.02 -3.46 4.05 -1.26 -4.60 115.26 120.37 2k8r n ASN 11 Ca 0.47 -2.01 -0.03 0.00 0.45 0.00 0.00 54.58 53.46 2k8r n ASN 11 Cb 0.46 -0.14 -0.02 0.00 1.23 0.00 0.00 39.78 41.30 2k8r n ASN 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k8r n GLY 12 N 0.18 -4.33 0.00 8.20 0.00 -1.26 -4.93 105.19 103.05 2k8r n GLY 12 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.97 0.60 3.22 -0.02 0.00 -1.26 -5.00 105.19 103.70 2k8r n GLY 13 Ca -0.18 -2.19 -0.28 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.73 1.94 -0.07 1.61 3.76 -1.26 -4.93 115.29 115.61 2k8r s HIS 14 Ca 0.00 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 2k8r s HIS 14 Cb 0.00 -1.26 0.01 0.00 1.11 0.00 0.00 32.58 32.44 2k8r s HIS 14 CO 0.00 -0.07 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.63 2k8r s PHE 15 N -0.38 1.51 0.00 1.40 0.40 -1.00 0.12 117.98 120.02 2k8r s PHE 15 Ca 0.05 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 2k8r s PHE 15 Cb -0.09 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.34 2k8r s PHE 15 CO 0.00 -0.28 0.00 1.47 0.70 0.00 0.00 175.22 177.11 2k8r n LEU 16 N 3.78 0.00 -4.12 -0.37 -0.00 -1.10 -4.13 117.00 111.06 2k8r n LEU 16 Ca -0.23 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.47 2k8r n LEU 16 Cb 0.52 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.77 2k8r n LEU 16 CO 0.25 0.00 -0.52 -0.60 -0.00 0.00 0.00 177.39 176.52 2k8r s ARG 17 N 0.00 2.69 -0.07 1.47 3.52 -0.44 -3.25 118.95 122.86 2k8r s ARG 17 Ca 0.00 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 54.90 2k8r s ARG 17 Cb 0.00 -2.22 0.01 0.00 -1.56 0.00 0.00 34.95 31.18 2k8r s ARG 17 CO 0.00 -0.05 -0.15 -1.50 -0.81 0.00 0.00 175.30 172.79 2k8r s ILE 18 N 0.92 1.32 -0.06 4.11 1.10 -1.26 0.98 121.20 128.31 2k8r s ILE 18 Ca -0.06 -0.60 -0.02 0.00 -0.51 0.00 0.00 60.65 59.47 2k8r s ILE 18 Cb -0.15 -1.18 -0.04 0.00 0.15 0.00 0.00 42.46 41.24 2k8r s ILE 18 CO -0.03 0.39 0.03 -0.76 -2.11 0.00 0.00 174.94 172.47 2k8r s LEU 19 N 0.52 3.72 0.47 8.50 2.01 0.26 -4.78 118.68 129.39 2k8r s LEU 19 Ca -0.14 0.16 0.23 0.00 0.01 0.00 0.00 54.13 54.40 2k8r s LEU 19 Cb -0.16 -1.95 1.25 0.00 0.01 0.00 0.00 46.19 45.35 2k8r s LEU 19 CO 0.04 0.35 1.89 1.55 1.01 0.00 0.00 176.35 181.20 2k8r h PRO 20 N 4.84 0.21 -0.20 1.29 0.13 -1.87 0.14 132.00 136.54 2k8r h PRO 20 Ca -0.51 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.67 2k8r h PRO 20 Cb 1.19 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2k8r h PRO 20 CO 0.56 0.14 0.30 -0.44 -0.23 0.00 0.00 178.00 178.34 2k8r h ASP 21 N 0.22 0.00 0.00 1.44 3.32 -1.95 -3.40 116.42 116.04 2k8r h ASP 21 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2k8r h ASP 21 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2k8r h ASP 21 CO -0.09 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.04 2k8r n GLY 22 N -1.36 0.70 3.49 2.75 0.00 0.46 -4.94 105.19 106.28 2k8r n GLY 22 Ca 0.02 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.84 0.00 0.02 2.61 2.01 -1.08 -4.52 115.64 113.84 2k8r s THR 23 Ca 0.00 -0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.04 2k8r s THR 23 Cb 0.00 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 2k8r s THR 23 CO 0.00 -0.02 -0.21 0.54 -0.69 0.00 0.00 174.62 174.24 2k8r s VAL 24 N 0.01 1.70 0.00 3.82 0.11 -1.26 0.90 120.40 125.67 2k8r s VAL 24 Ca -0.02 -1.09 0.00 0.00 -2.93 0.00 0.00 61.98 57.94 2k8r s VAL 24 Cb -0.04 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 2k8r s VAL 24 CO 0.02 0.33 0.00 -0.90 -3.33 0.00 0.00 175.10 171.22 2k8r n ASP 25 N 2.15 0.00 -4.69 3.54 5.75 0.28 -4.65 116.55 118.92 2k8r n ASP 25 Ca -0.16 -0.42 -0.30 0.00 -0.01 0.00 0.00 54.79 53.90 2k8r n ASP 25 Cb 0.53 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.77 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 -0.42 1.62 0.00 6.12 0.00 -1.26 -1.33 107.32 112.05 2k8r s GLY 26 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.73 2k8r s GLY 26 CO 0.00 0.51 0.00 2.41 0.00 0.00 0.00 173.10 176.02 2k8r n THR 27 N -4.01 0.00 -5.18 0.90 -1.04 0.33 -4.23 114.28 101.05 2k8r n THR 27 Ca 0.07 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.76 2k8r n THR 27 Cb 0.55 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.90 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 2.43 0.14 -2.82 1.70 -1.26 -2.38 118.95 114.76 2k8r s ARG 28 Ca 0.00 -0.86 -0.24 0.00 -0.47 0.00 0.00 55.73 54.16 2k8r s ARG 28 Cb 0.00 -2.19 0.07 0.00 -0.57 0.00 0.00 34.95 32.26 2k8r s ARG 28 CO 0.00 0.49 0.72 0.34 -1.08 0.00 0.00 175.30 175.77 2k8r s ASP 29 N -0.41 -0.43 -1.23 -2.89 -1.08 -1.26 -5.07 116.67 104.30 2k8r s ASP 29 Ca 0.04 -0.15 -0.19 0.00 -0.52 0.00 0.00 52.55 51.73 2k8r s ASP 29 Cb -0.12 0.56 0.05 0.00 -1.46 0.00 0.00 42.92 41.96 2k8r s ASP 29 CO 0.01 -0.95 1.71 -0.60 0.52 0.00 0.00 175.17 175.86 2k8r s ARG 30 N -3.59 3.78 -1.27 4.34 6.06 -1.26 -4.17 118.95 122.84 2k8r s ARG 30 Ca 0.05 -1.75 -0.03 0.00 -2.50 0.00 0.00 55.73 51.50 2k8r s ARG 30 Cb -0.02 -5.48 -0.01 0.00 0.06 0.00 0.00 34.95 29.51 2k8r s ARG 30 CO -0.07 -2.40 0.71 0.43 -2.50 0.00 0.00 175.30 171.47 2k8r n SER 31 N 9.05 -2.05 -0.86 -2.12 7.64 -1.26 -4.98 113.62 119.04 2k8r n SER 31 Ca 0.46 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2k8r n SER 31 Cb 0.47 -4.01 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 2k8r n SER 31 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k8r n ASP 32 N -3.02 0.32 0.00 6.43 -0.08 -1.26 -4.36 116.55 114.58 2k8r n ASP 32 Ca -0.26 -0.74 0.00 0.00 -1.51 0.00 0.00 54.79 52.28 2k8r n ASP 32 Cb 0.66 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.12 2k8r n ASP 32 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2k8r n GLN 33 N 0.00 0.00 0.16 -0.67 7.27 -1.26 -4.55 117.38 118.33 2k8r n GLN 33 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.11 2k8r n GLN 33 Cb 0.00 0.00 0.16 0.00 2.41 0.00 0.00 30.24 32.81 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 0.00 0.00 3.69 6.17 -1.85 -3.44 115.15 119.71 2k8r h HIS 34 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2k8r h HIS 34 Cb 0.00 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.93 2k8r h HIS 34 CO 0.00 0.46 0.00 -0.89 0.71 0.00 0.00 177.93 178.21 2k8r n ILE 35 N -3.35 0.00 0.00 6.26 5.41 -1.26 -5.02 119.36 121.40 2k8r n ILE 35 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2k8r n ILE 35 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.57 2k8r n ILE 35 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2k8r n GLN 36 N -1.49 0.00 -3.18 0.38 7.27 -1.26 -4.88 117.38 114.23 2k8r n GLN 36 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.68 2k8r n GLN 36 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 2k8r n GLN 36 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2k8r s LEU 37 N 0.00 4.20 -0.05 1.69 0.20 -1.23 0.15 118.68 123.63 2k8r s LEU 37 Ca 0.00 0.84 0.05 0.00 0.69 0.00 0.00 54.13 55.71 2k8r s LEU 37 Cb 0.00 -2.84 -0.02 0.00 -0.43 0.00 0.00 46.19 42.90 2k8r s LEU 37 CO 0.00 -0.17 -0.19 -1.10 -0.29 0.00 0.00 176.35 174.59 2k8r s GLN 38 N 1.43 2.50 -0.25 1.98 -0.21 0.31 0.11 119.66 125.52 2k8r s GLN 38 Ca 0.28 -0.80 -0.02 0.00 0.02 0.00 0.00 55.36 54.84 2k8r s GLN 38 Cb -0.16 -2.27 0.11 0.00 1.00 0.00 0.00 33.01 31.69 2k8r s GLN 38 CO 0.11 0.52 0.25 -1.17 -2.12 0.00 0.00 175.29 172.89 2k8r s LEU 39 N -0.49 -0.13 0.00 2.90 0.20 -1.25 0.15 118.68 120.06 2k8r s LEU 39 Ca 0.06 -0.54 0.00 0.00 0.69 0.00 0.00 54.13 54.34 2k8r s LEU 39 Cb -0.12 0.40 0.00 0.00 -0.43 0.00 0.00 46.19 46.05 2k8r s LEU 39 CO 0.01 -0.36 0.00 -1.20 -0.29 0.00 0.00 176.35 174.51 2k8r n SER 40 N 5.31 0.00 0.00 3.68 7.64 -1.09 -4.27 113.62 124.89 2k8r n SER 40 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2k8r n SER 40 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 0.00 -1.92 -0.43 0.00 -1.26 -3.98 120.51 112.91 2k8r n ALA 41 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2k8r n ALA 41 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 2k8r n ALA 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k8r n GLU 42 N -1.37 -0.57 -1.69 0.00 -0.58 -1.26 -5.05 120.64 110.12 2k8r n GLU 42 Ca 0.00 -1.58 -0.25 0.00 -0.42 0.00 0.00 57.16 54.91 2k8r n GLU 42 Cb 0.00 -0.79 0.17 0.00 -0.57 0.00 0.00 31.44 30.25 2k8r n GLU 42 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2k8r n SER 43 N -3.38 0.18 -4.19 1.62 3.41 -1.25 -4.88 113.62 105.13 2k8r n SER 43 Ca 0.12 -1.46 -0.31 0.00 -0.26 0.00 0.00 58.87 56.95 2k8r n SER 43 Cb 0.40 -0.84 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 2k8r n SER 43 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2k8r n VAL 44 N -3.49 1.16 0.00 -3.33 3.14 -1.26 -2.60 118.33 111.94 2k8r n VAL 44 Ca 0.14 -1.14 0.00 0.00 -2.96 0.00 0.00 64.34 60.38 2k8r n VAL 44 Cb 0.50 -2.14 0.00 0.00 -1.06 0.00 0.00 33.84 31.14 2k8r n VAL 44 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k8r n GLY 45 N 5.46 1.94 3.77 7.55 0.00 -1.26 -5.12 105.19 117.53 2k8r n GLY 45 Ca 0.45 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 3.98 -0.02 1.61 2.02 -1.07 -1.57 118.70 123.66 2k8r s GLU 46 Ca 0.00 1.77 -0.02 0.00 0.02 0.00 0.00 54.97 56.74 2k8r s GLU 46 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.65 2k8r s GLU 46 CO 0.00 -0.36 0.05 0.14 0.02 0.00 0.00 175.26 175.11 2k8r s VAL 47 N -1.49 0.01 -0.27 2.63 -7.23 0.37 -3.79 120.40 110.65 2k8r s VAL 47 Ca 0.59 -0.10 -0.06 0.00 -1.81 0.00 0.00 61.98 60.60 2k8r s VAL 47 Cb -0.29 -0.12 -0.00 0.00 0.56 0.00 0.00 36.38 36.54 2k8r s VAL 47 CO 0.36 -0.05 0.04 -0.47 -0.31 0.00 0.00 175.10 174.66 2k8r s TYR 48 N -0.14 3.09 -0.43 2.82 5.04 -1.26 -1.73 117.35 124.74 2k8r s TYR 48 Ca -0.02 -0.91 -0.19 0.00 -2.44 0.00 0.00 57.07 53.50 2k8r s TYR 48 Cb -0.01 -2.20 0.02 0.00 0.35 0.00 0.00 41.96 40.12 2k8r s TYR 48 CO 0.00 -0.54 0.57 0.42 -1.34 0.00 0.00 175.55 174.65 2k8r s ILE 49 N 1.50 4.93 -0.38 3.14 1.01 -1.26 -2.68 121.20 127.46 2k8r s ILE 49 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 2k8r s ILE 49 Cb -0.16 -4.15 0.08 0.00 0.01 0.00 0.00 42.46 38.24 2k8r s ILE 49 CO 0.01 -0.54 0.16 -0.75 0.00 0.00 0.00 174.94 173.82 2k8r s LYS 50 N 2.56 2.28 -0.33 2.79 2.20 0.39 -3.83 119.74 125.80 2k8r s LYS 50 Ca 0.18 -1.56 -0.25 0.00 -0.36 0.00 0.00 55.97 53.98 2k8r s LYS 50 Cb -0.15 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 2k8r s LYS 50 CO 0.17 -0.91 0.89 -1.12 -0.36 0.00 0.00 175.35 174.02 2k8r s SER 51 N 1.72 6.73 0.01 1.43 0.01 -1.26 0.11 113.70 122.46 2k8r s SER 51 Ca 0.03 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.03 2k8r s SER 51 Cb -0.22 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2k8r s SER 51 CO -0.02 -0.74 0.00 0.41 0.41 0.00 0.00 173.24 173.30 2k8r n THR 52 N 5.73 -0.82 -0.01 1.44 -1.04 0.40 -3.85 114.28 116.13 2k8r n THR 52 Ca 0.07 0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 62.01 2k8r n THR 52 Cb 0.48 -0.04 -0.04 0.00 -1.82 0.00 0.00 70.33 68.91 2k8r n THR 52 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2k8r h GLU 53 N 0.02 -0.06 -3.47 -2.82 4.57 -1.87 -3.43 114.58 107.51 2k8r h GLU 53 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 2k8r h GLU 53 Cb 0.00 0.01 -0.19 0.00 -0.16 0.00 0.00 28.75 28.41 2k8r h GLU 53 CO 0.00 -0.04 -0.43 0.95 -1.18 0.00 0.00 179.01 178.31 2k8r s THR 54 N -6.18 0.09 0.00 0.32 -4.23 -1.26 -4.91 115.64 99.46 2k8r s THR 54 Ca -0.14 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 2k8r s THR 54 Cb 0.09 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.31 2k8r s THR 54 CO 0.68 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2k8r n GLY 55 N 1.17 2.96 3.88 3.99 0.00 -1.26 -5.03 105.19 110.89 2k8r n GLY 55 Ca -0.21 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 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 2.59 -0.30 1.61 -1.52 -1.26 -4.42 119.66 116.36 2k8r s GLN 56 Ca 0.00 -1.47 -0.12 0.00 -1.95 0.00 0.00 55.36 51.81 2k8r s GLN 56 Cb 0.00 -2.42 0.15 0.00 -0.22 0.00 0.00 33.01 30.53 2k8r s GLN 56 CO 0.00 -0.14 0.84 -0.47 -0.25 0.00 0.00 175.29 175.27 2k8r s TYR 57 N -2.43 -0.98 -0.24 0.91 6.14 -1.25 -4.71 117.35 114.79 2k8r s TYR 57 Ca 0.47 1.64 -0.28 0.00 0.64 0.00 0.00 57.07 59.54 2k8r s TYR 57 Cb -0.04 0.57 0.01 0.00 0.42 0.00 0.00 41.96 42.91 2k8r s TYR 57 CO 0.28 -0.49 0.99 -1.17 0.64 0.00 0.00 175.55 175.80 2k8r s LEU 58 N 2.67 4.09 0.04 6.97 1.98 -1.25 0.79 118.68 133.97 2k8r s LEU 58 Ca -0.03 1.29 0.02 0.00 -2.89 0.00 0.00 54.13 52.53 2k8r s LEU 58 Cb -0.09 -3.46 -0.02 0.00 0.66 0.00 0.00 46.19 43.27 2k8r s LEU 58 CO -0.18 -0.64 -0.08 0.00 -1.89 0.00 0.00 176.35 173.56 2k8r s ALA 59 N 3.13 0.59 -0.12 5.97 0.00 0.18 -4.59 121.76 126.92 2k8r s ALA 59 Ca 0.42 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 2k8r s ALA 59 Cb -0.15 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2k8r s ALA 59 CO 0.07 -0.02 0.04 0.00 0.00 0.00 0.00 175.76 175.84 2k8r s MET 60 N -1.64 3.34 0.08 0.00 0.23 -1.26 0.50 119.30 120.56 2k8r s MET 60 Ca -0.09 -0.35 -0.20 0.00 -1.03 0.00 0.00 55.69 54.02 2k8r s MET 60 Cb -0.10 -2.97 -0.07 0.00 -1.53 0.00 0.00 34.83 30.17 2k8r s MET 60 CO 0.00 0.58 0.58 0.34 -2.03 0.00 0.00 175.02 174.49 2k8r s ASP 61 N -0.52 7.08 0.46 -1.18 -1.08 0.49 -4.89 116.67 117.02 2k8r s ASP 61 Ca 0.10 1.28 0.16 0.00 -0.52 0.00 0.00 52.55 53.56 2k8r s ASP 61 Cb -0.12 -2.36 1.10 0.00 -1.46 0.00 0.00 42.92 40.08 2k8r s ASP 61 CO 0.02 0.27 2.00 0.00 0.52 0.00 0.00 175.17 177.98 2k8r h THR 62 N 3.52 0.88 -0.55 1.71 1.03 -1.99 -1.68 112.91 115.83 2k8r h THR 62 Ca -0.50 -0.11 -0.06 0.00 -0.01 0.00 0.00 66.41 65.73 2k8r h THR 62 Cb 1.21 0.54 -0.02 0.00 -1.07 0.00 0.00 68.15 68.81 2k8r h THR 62 CO 0.63 0.06 0.08 -0.78 -0.01 0.00 0.00 175.52 175.50 2k8r h ASP 63 N 0.32 0.84 0.00 0.00 3.58 -2.03 -3.46 116.42 115.66 2k8r h ASP 63 Ca 0.25 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k8r h ASP 63 Cb 0.57 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2k8r h ASP 63 CO -0.06 0.85 0.00 0.61 -2.88 0.00 0.00 179.24 177.76 2k8r n GLY 64 N -0.72 0.32 3.18 -0.78 0.00 -0.63 -4.34 105.19 102.21 2k8r n GLY 64 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 1.24 -0.07 0.99 1.98 -1.21 -1.27 118.68 120.33 2k8r s LEU 65 Ca 0.00 -0.14 0.02 0.00 -2.89 0.00 0.00 54.13 51.12 2k8r s LEU 65 Cb 0.00 0.98 -0.02 0.00 0.66 0.00 0.00 46.19 47.80 2k8r s LEU 65 CO 0.00 -0.45 -0.12 -0.76 -1.89 0.00 0.00 176.35 173.13 2k8r s LEU 66 N -1.56 2.84 0.17 -0.68 1.02 -1.26 0.19 118.68 119.39 2k8r s LEU 66 Ca -0.12 -0.19 -0.01 0.00 0.02 0.00 0.00 54.13 53.84 2k8r s LEU 66 Cb -0.05 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.52 2k8r s LEU 66 CO 0.01 0.30 0.10 -0.72 0.02 0.00 0.00 176.35 176.06 2k8r s TYR 67 N -0.48 1.01 -0.43 0.29 -0.85 0.18 -4.41 117.35 112.66 2k8r s TYR 67 Ca 0.06 -1.30 0.03 0.00 -0.52 0.00 0.00 57.07 55.34 2k8r s TYR 67 Cb -0.12 -0.51 0.12 0.00 0.38 0.00 0.00 41.96 41.82 2k8r s TYR 67 CO 0.02 -0.59 0.17 0.20 -1.52 0.00 0.00 175.55 173.83 2k8r s GLY 68 N -3.11 2.15 -0.14 5.49 0.00 -1.25 0.52 107.32 110.98 2k8r s GLY 68 Ca 0.32 -2.83 -0.11 0.00 0.00 0.00 0.00 44.72 42.09 2k8r s GLY 68 CO 0.07 0.99 0.36 -0.56 0.00 0.00 0.00 173.10 173.96 2k8r s SER 69 N 0.62 -0.39 -0.67 1.64 0.01 0.24 -3.87 113.70 111.28 2k8r s SER 69 Ca 0.13 0.74 -0.26 0.00 1.31 0.00 0.00 55.95 57.87 2k8r s SER 69 Cb -0.22 0.71 -0.13 0.00 0.21 0.00 0.00 66.02 66.59 2k8r s SER 69 CO -0.05 -0.14 2.45 1.67 0.41 0.00 0.00 173.24 177.58 2k8r n GLN 70 N 3.30 0.70 -2.96 12.44 0.00 -1.26 -4.27 117.38 125.33 2k8r n GLN 70 Ca -0.16 -0.19 -0.04 0.00 -0.00 0.00 0.00 57.00 56.60 2k8r n GLN 70 Cb 0.57 -3.05 -0.01 0.00 0.00 0.00 0.00 30.24 27.75 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 11.58 -0.90 -0.17 1.69 2.01 -1.26 -5.04 115.64 123.54 2k8r s THR 71 Ca 1.05 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 2k8r s THR 71 Cb -0.38 -0.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.99 2k8r s THR 71 CO 0.28 -0.09 1.95 -2.16 -0.69 0.00 0.00 174.62 173.90 2k8r s PRO 72 N 1.16 3.58 0.18 4.92 0.04 -1.26 -4.95 135.00 138.66 2k8r s PRO 72 Ca 0.25 2.00 -0.23 0.00 0.04 0.00 0.00 61.00 63.07 2k8r s PRO 72 Cb -0.02 -4.21 0.06 0.00 0.04 0.00 0.00 34.50 30.37 2k8r s PRO 72 CO -0.06 -1.58 0.65 1.21 0.04 0.00 0.00 177.00 177.26 2k8r s ASN 73 N 6.01 -0.48 0.49 6.66 3.84 -1.26 -5.03 114.94 125.18 2k8r s ASN 73 Ca 0.87 -0.14 0.31 0.00 0.21 0.00 0.00 52.86 54.11 2k8r s ASN 73 Cb -0.32 0.61 1.41 0.00 -0.55 0.00 0.00 41.25 42.41 2k8r s ASN 73 CO 0.35 -1.03 1.78 -0.33 -2.79 0.00 0.00 177.10 175.08 2k8r h GLU 74 N 2.00 0.12 -0.35 0.43 5.08 -2.00 -0.61 114.58 119.24 2k8r h GLU 74 Ca -0.30 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.16 2k8r h GLU 74 Cb 1.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2k8r h GLU 74 CO 0.34 0.08 0.60 0.93 -1.00 0.00 0.00 179.01 179.96 2k8r h GLU 75 N 0.12 0.00 0.00 2.33 4.39 -1.95 0.43 114.58 119.90 2k8r h GLU 75 Ca 0.59 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.29 2k8r h GLU 75 Cb 2.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 2k8r h GLU 75 CO -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.73 2k8r s LEU 77 N -2.50 3.80 0.35 0.00 2.01 0.15 -4.18 118.68 118.30 2k8r s LEU 77 Ca 0.27 -0.34 0.09 0.00 0.01 0.00 0.00 54.13 54.16 2k8r s LEU 77 Cb 0.18 -2.81 -0.06 0.00 0.01 0.00 0.00 46.19 43.51 2k8r s LEU 77 CO 0.39 -1.44 0.03 -0.36 1.01 0.00 0.00 176.35 175.97 2k8r s PHE 78 N 4.56 2.54 -0.18 0.29 0.08 -0.70 -0.64 117.98 123.93 2k8r s PHE 78 Ca 0.33 -0.47 -0.00 0.00 0.12 0.00 0.00 56.93 56.91 2k8r s PHE 78 Cb -0.11 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 40.79 2k8r s PHE 78 CO 0.19 0.45 -0.15 -1.17 -0.10 0.00 0.00 175.22 174.43 2k8r s LEU 79 N -3.73 2.38 -0.41 -0.37 1.98 0.39 0.14 118.68 119.07 2k8r s LEU 79 Ca 0.35 -0.55 -0.11 0.00 -2.89 0.00 0.00 54.13 50.94 2k8r s LEU 79 Cb 0.01 -1.56 0.06 0.00 0.66 0.00 0.00 46.19 45.36 2k8r s LEU 79 CO 0.19 0.02 0.25 -0.70 -1.89 0.00 0.00 176.35 174.23 2k8r s GLU 80 N 1.19 2.75 -0.46 1.98 2.12 -0.61 -1.13 118.70 124.54 2k8r s GLU 80 Ca 0.02 -1.28 -0.13 0.00 0.36 0.00 0.00 54.97 53.94 2k8r s GLU 80 Cb -0.14 -3.80 0.08 0.00 0.26 0.00 0.00 34.13 30.53 2k8r s GLU 80 CO -0.07 -0.85 0.34 0.50 -0.54 0.00 0.00 175.26 174.64 2k8r s ARG 81 N 1.51 2.80 -0.44 4.30 3.52 0.18 -4.79 118.95 126.03 2k8r s ARG 81 Ca 0.03 -1.45 -0.18 0.00 -0.13 0.00 0.00 55.73 54.00 2k8r s ARG 81 Cb -0.21 -3.99 0.03 0.00 -1.56 0.00 0.00 34.95 29.22 2k8r s ARG 81 CO 0.05 -1.03 0.50 -1.17 -0.81 0.00 0.00 175.30 172.84 2k8r s LEU 82 N 1.53 4.84 0.48 -0.88 2.96 -1.26 0.15 118.68 126.51 2k8r s LEU 82 Ca 0.04 -0.67 0.27 0.00 -0.22 0.00 0.00 54.13 53.54 2k8r s LEU 82 Cb -0.24 -2.45 1.04 0.00 0.50 0.00 0.00 46.19 45.04 2k8r s LEU 82 CO 0.04 -0.67 1.87 -0.08 -1.32 0.00 0.00 176.35 176.19 2k8r h GLU 83 N 8.80 0.00 0.00 1.98 4.81 -1.87 -3.47 114.58 124.83 2k8r h GLU 83 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2k8r h GLU 83 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2k8r h GLU 83 CO 0.84 0.14 0.00 -0.85 -0.73 0.00 0.00 179.01 178.41 2k8r n GLU 84 N -3.28 0.00 -0.95 1.92 0.28 -1.16 -4.93 120.64 112.53 2k8r n GLU 84 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.58 2k8r n GLU 84 Cb 0.39 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.19 2k8r n GLU 84 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2k8r n ASN 85 N 0.74 2.14 -3.55 -1.84 5.15 -1.26 -4.27 115.26 112.37 2k8r n ASN 85 Ca 0.00 -2.61 -0.24 0.00 -0.60 0.00 0.00 54.58 51.12 2k8r n ASN 85 Cb 0.00 -0.94 -0.03 0.00 -0.53 0.00 0.00 39.78 38.28 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 7.76 -1.64 -3.60 1.20 1.44 -1.26 -4.85 115.22 114.26 2k8r n HIS 86 Ca 0.48 0.44 -0.03 0.00 -2.01 0.00 0.00 57.72 56.60 2k8r n HIS 86 Cb 0.40 -2.17 -0.02 0.00 0.12 0.00 0.00 29.99 28.32 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 -2.82 -0.10 0.32 -1.40 -0.85 -1.26 -4.69 117.35 106.55 2k8r s TYR 87 Ca 0.45 0.04 -0.02 0.00 -0.52 0.00 0.00 57.07 57.03 2k8r s TYR 87 Cb -0.25 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.60 2k8r s TYR 87 CO 0.55 -0.21 0.41 0.54 -1.52 0.00 0.00 175.55 175.33 2k8r s ASN 88 N -2.35 0.89 -0.06 -0.18 2.20 0.53 -2.74 114.94 113.22 2k8r s ASN 88 Ca 0.11 -1.47 0.03 0.00 -0.94 0.00 0.00 52.86 50.58 2k8r s ASN 88 Cb 0.00 0.62 0.01 0.00 -2.00 0.00 0.00 41.25 39.88 2k8r s ASN 88 CO -0.04 -1.21 -0.13 0.42 -2.94 0.00 0.00 177.10 173.20 2k8r s THR 89 N -3.30 1.14 -0.13 0.54 -4.23 0.41 -3.23 115.64 106.83 2k8r s THR 89 Ca 0.32 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 60.31 2k8r s THR 89 Cb 0.01 -1.02 -0.02 0.00 1.34 0.00 0.00 72.50 72.80 2k8r s THR 89 CO 0.20 0.35 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.23 2k8r s TYR 90 N 0.50 2.91 0.03 3.99 2.02 -1.26 0.51 117.35 126.06 2k8r s TYR 90 Ca -0.11 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 2k8r s TYR 90 Cb -0.14 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 2k8r s TYR 90 CO 0.03 -0.08 -0.04 0.96 -1.57 0.00 0.00 175.55 174.86 2k8r s ILE 91 N 0.23 0.20 0.19 2.71 -4.36 -0.29 -3.78 121.20 116.10 2k8r s ILE 91 Ca -0.06 -1.14 -0.30 0.00 -0.26 0.00 0.00 60.65 58.89 2k8r s ILE 91 Cb -0.15 -0.60 -0.08 0.00 1.25 0.00 0.00 42.46 42.89 2k8r s ILE 91 CO 0.04 -0.60 1.13 -0.44 0.24 0.00 0.00 174.94 175.31 2k8r s SER 92 N -1.82 7.21 -0.09 4.36 0.01 -1.26 0.15 113.70 122.26 2k8r s SER 92 Ca -0.10 2.15 -0.00 0.00 1.31 0.00 0.00 55.95 59.31 2k8r s SER 92 Cb -0.06 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 2k8r s SER 92 CO -0.03 -0.26 -0.00 0.50 0.41 0.00 0.00 173.24 173.86 2k8r h LYS 93 N 5.02 0.00 -0.71 12.44 3.11 -1.15 -3.17 116.57 132.10 2k8r h LYS 93 Ca -0.45 0.00 0.13 0.00 -2.81 0.00 0.00 60.65 57.53 2k8r h LYS 93 Cb 1.21 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.40 2k8r h LYS 93 CO 0.72 0.00 0.48 -0.22 -2.81 0.00 0.00 179.45 177.62 2k8r h LYS 94 N -0.89 0.41 -1.00 1.90 3.64 -1.85 -0.74 116.57 118.05 2k8r h LYS 94 Ca 0.00 -0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.79 2k8r h LYS 94 Cb 0.01 -0.09 -0.30 0.00 -0.41 0.00 0.00 32.23 31.43 2k8r h LYS 94 CO 0.00 0.27 0.71 0.72 -2.27 0.00 0.00 179.45 178.89 2k8r n HIS 95 N -4.48 3.11 -0.35 1.91 8.25 -1.26 -4.66 115.22 117.75 2k8r n HIS 95 Ca 0.13 -2.17 0.25 0.00 -0.26 0.00 0.00 57.72 55.67 2k8r n HIS 95 Cb 0.48 -1.09 0.51 0.00 1.12 0.00 0.00 29.99 31.01 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 1.27 2.18 -0.19 -1.41 0.00 -1.10 0.79 119.26 120.81 2k8r h ALA 96 Ca 0.63 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.71 2k8r h ALA 96 Cb 2.31 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 20.19 2k8r h ALA 96 CO 1.24 -0.69 0.23 0.93 0.00 0.00 0.00 179.25 180.95 2k8r h GLU 97 N 0.35 0.00 -2.17 0.00 4.39 -1.86 -2.90 114.58 112.39 2k8r h GLU 97 Ca 0.68 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.80 2k8r h GLU 97 Cb 1.70 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.94 2k8r h GLU 97 CO -0.42 0.00 -0.73 1.63 -1.16 0.00 0.00 179.01 178.32 2k8r n LYS 98 N -3.69 2.30 -2.08 2.33 5.02 0.27 -5.06 118.16 117.26 2k8r n LYS 98 Ca 0.02 -4.40 -0.41 0.00 -2.02 0.00 0.00 58.31 51.50 2k8r n LYS 98 Cb 0.35 -2.05 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 2k8r n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k8r s ASN 99 N -2.52 5.73 -0.13 4.39 4.22 -1.10 -4.87 114.94 120.66 2k8r s ASN 99 Ca 0.41 0.83 -0.01 0.00 -2.14 0.00 0.00 52.86 51.95 2k8r s ASN 99 Cb 0.20 -2.53 0.04 0.00 1.28 0.00 0.00 41.25 40.24 2k8r s ASN 99 CO -0.06 -1.92 -0.04 0.26 -2.04 0.00 0.00 177.10 173.29 2k8r s TRP 100 N 7.46 1.39 0.37 1.54 0.52 -1.26 -5.07 118.94 123.89 2k8r s TRP 100 Ca 0.71 -0.79 -0.28 0.00 0.02 0.00 0.00 56.10 55.76 2k8r s TRP 100 Cb -0.17 -1.17 -0.11 0.00 -1.15 0.00 0.00 33.47 30.87 2k8r s TRP 100 CO 0.28 -0.53 1.49 1.19 0.02 0.00 0.00 176.95 179.40 2k8r n PHE 101 N 4.96 2.95 0.00 -1.98 3.72 -1.26 -4.70 117.46 121.15 2k8r n PHE 101 Ca -0.11 0.43 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 2k8r n PHE 101 Cb 0.49 -2.54 0.00 0.00 -0.94 0.00 0.00 39.48 36.49 2k8r n PHE 101 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2k8r n VAL 102 N 0.60 0.00 0.00 -4.37 0.24 -1.25 -4.60 118.33 108.95 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 0.38 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 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 3.52 3.87 3.39 7.63 0.00 -1.26 -4.49 105.19 117.86 2k8r n GLY 103 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 2k8r n GLY 103 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k8r s LEU 104 N 0.00 2.32 -0.22 0.99 2.34 -1.26 0.11 118.68 122.96 2k8r s LEU 104 Ca 0.00 -0.68 -0.09 0.00 0.06 0.00 0.00 54.13 53.42 2k8r s LEU 104 Cb 0.00 -1.28 -0.05 0.00 -0.56 0.00 0.00 46.19 44.31 2k8r s LEU 104 CO 0.00 0.20 0.12 -0.75 -1.06 0.00 0.00 176.35 174.86 2k8r s LYS 105 N -1.82 4.04 0.60 1.48 2.47 0.27 -4.92 119.74 121.87 2k8r s LYS 105 Ca 0.14 -0.29 0.28 0.00 -1.56 0.00 0.00 55.97 54.54 2k8r s LYS 105 Cb -0.10 -3.41 1.20 0.00 -1.46 0.00 0.00 37.83 34.06 2k8r s LYS 105 CO 0.05 0.16 1.58 1.57 0.16 0.00 0.00 175.35 178.87 2k8r h LYS 106 N 7.15 0.00 -0.38 4.03 2.10 -1.92 0.42 116.57 127.97 2k8r h LYS 106 Ca -0.38 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.38 2k8r h LYS 106 Cb 1.16 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.48 2k8r h LYS 106 CO 0.69 0.00 0.44 -0.97 -2.00 0.00 0.00 179.45 177.61 2k8r h ASN 107 N 0.00 0.00 0.00 7.07 -0.73 -1.99 -3.39 115.58 116.54 2k8r h ASN 107 Ca 0.38 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.55 2k8r h ASN 107 Cb 2.15 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.74 2k8r h ASN 107 CO -0.00 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.67 2k8r n GLY 108 N -1.47 1.48 3.09 1.57 0.00 0.14 -5.07 105.19 104.93 2k8r n GLY 108 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.98 1.24 0.30 1.61 0.01 -1.07 -4.87 113.70 108.94 2k8r s SER 109 Ca 0.00 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 56.89 2k8r s SER 109 Cb 0.00 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 2k8r s SER 109 CO 0.00 -0.03 0.43 0.00 0.41 0.00 0.00 173.24 174.05 2k8r s LYS 111 N -4.11 0.36 0.02 0.00 -0.14 0.30 -4.86 119.74 111.31 2k8r s LYS 111 Ca 0.40 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 54.13 2k8r s LYS 111 Cb -0.09 -1.20 0.00 0.00 -1.68 0.00 0.00 37.83 34.86 2k8r s LYS 111 CO 0.31 -1.11 0.00 -2.13 -0.76 0.00 0.00 175.35 171.66 2k8r n ARG 112 N 4.70 0.00 -0.03 1.68 0.00 -1.15 -4.09 116.66 117.77 2k8r n ARG 112 Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.72 2k8r n ARG 112 Cb 0.40 -0.50 -0.11 0.00 0.00 0.00 0.00 32.46 32.25 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 0.00 0.18 -0.57 5.14 0.00 -1.38 -3.32 103.07 103.12 2k8r h GLY 113 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.06 2k8r h GLY 113 CO 0.00 0.28 -0.34 -1.05 0.00 0.00 0.00 176.54 175.43 2k8r n PRO 114 N -4.51 -0.25 0.00 4.80 -0.02 -1.26 -4.58 135.00 129.18 2k8r n PRO 114 Ca -0.10 1.14 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2k8r n PRO 114 Cb 0.50 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 2k8r n PRO 114 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2k8r n ARG 115 N -4.34 0.00 -3.15 -0.52 0.63 -1.26 -5.14 116.66 102.87 2k8r n ARG 115 Ca 0.01 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.54 2k8r n ARG 115 Cb 0.15 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.00 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 5.04 0.00 5.15 -1.32 -1.25 -4.60 115.64 118.66 2k8r s THR 116 Ca 0.00 1.12 0.00 0.00 -1.21 0.00 0.00 61.69 61.60 2k8r s THR 116 Cb 0.00 -3.92 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 2k8r s THR 116 CO 0.00 0.12 0.00 1.41 -2.21 0.00 0.00 174.62 173.94 2k8r n HIS 117 N 5.06 0.00 -2.49 9.09 -0.00 -1.26 -4.76 115.22 120.86 2k8r n HIS 117 Ca -0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.35 2k8r n HIS 117 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.46 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 3.05 0.00 4.41 1.51 -1.26 -4.69 117.35 120.37 2k8r s TYR 118 Ca 0.00 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 57.65 2k8r s TYR 118 Cb 0.00 -3.14 0.00 0.00 -0.11 0.00 0.00 41.96 38.71 2k8r s TYR 118 CO 0.00 -0.89 0.00 0.41 -1.11 0.00 0.00 175.55 173.96 2k8r n GLY 119 N 0.07 -1.02 0.52 0.71 0.00 -1.26 -4.55 105.19 99.67 2k8r n GLY 119 Ca 0.08 -0.97 0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 0.01 -1.20 1.61 4.20 -1.93 0.46 115.11 118.26 2k8r h GLN 120 Ca 0.00 -0.00 0.34 0.00 0.06 0.00 0.00 58.65 59.05 2k8r h GLN 120 Cb 0.00 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 2k8r h GLN 120 CO 0.00 0.01 0.83 1.57 -0.67 0.00 0.00 178.83 180.57 2k8r h LYS 121 N 0.01 0.11 0.00 1.46 5.09 -1.86 0.60 116.57 121.98 2k8r h LYS 121 Ca 0.89 -0.01 -0.08 0.00 0.09 0.00 0.00 60.65 61.54 2k8r h LYS 121 Cb 3.00 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 35.30 2k8r h LYS 121 CO -0.37 0.07 -0.39 0.00 -2.09 0.00 0.00 179.45 176.67 2k8r h ALA 122 N 1.46 0.93 -0.95 0.07 0.00 -0.30 -3.36 119.26 117.11 2k8r h ALA 122 Ca 0.61 -0.35 -0.35 0.00 0.00 0.00 0.00 54.91 54.82 2k8r h ALA 122 Cb 2.16 -0.06 -0.37 0.00 0.00 0.00 0.00 17.79 19.52 2k8r h ALA 122 CO -0.12 0.49 -1.09 -0.89 0.00 0.00 0.00 179.25 177.64 2k8r n ILE 123 N -3.46 0.77 -2.84 0.00 -0.00 0.18 -4.62 119.36 109.39 2k8r n ILE 123 Ca 0.00 -2.97 -0.11 0.00 -0.00 0.00 0.00 62.75 59.67 2k8r n ILE 123 Cb 0.55 0.65 0.04 0.00 -0.00 0.00 0.00 39.64 40.87 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 -0.09 -2.05 -4.58 1.39 7.94 0.33 -4.88 117.00 115.05 2k8r n LEU 124 Ca 0.09 -3.73 -0.35 0.00 -1.11 0.00 0.00 56.01 50.90 2k8r n LEU 124 Cb 0.81 0.83 -0.11 0.00 0.53 0.00 0.00 43.42 45.48 2k8r n LEU 124 CO 0.22 2.05 -0.26 -0.36 -1.11 0.00 0.00 177.39 177.93 2k8r s PHE 125 N 0.09 3.20 -0.40 1.96 0.08 -1.20 -2.92 117.98 118.80 2k8r s PHE 125 Ca 0.31 -0.05 -0.02 0.00 0.12 0.00 0.00 56.93 57.28 2k8r s PHE 125 Cb 0.24 -2.12 0.11 0.00 -0.57 0.00 0.00 43.02 40.68 2k8r s PHE 125 CO -0.17 0.01 0.18 -1.17 -0.10 0.00 0.00 175.22 173.97 2k8r s LEU 126 N 0.72 5.14 0.00 -0.37 2.96 0.25 -0.35 118.68 127.03 2k8r s LEU 126 Ca 0.03 -2.01 0.00 0.00 -0.22 0.00 0.00 54.13 51.93 2k8r s LEU 126 Cb -0.13 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.76 2k8r s LEU 126 CO 0.02 -0.51 0.00 -0.81 -1.32 0.00 0.00 176.35 173.73 2k8r n PRO 127 N 4.56 2.71 -4.24 0.98 -0.04 -1.26 0.04 135.00 137.73 2k8r n PRO 127 Ca -0.02 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.12 2k8r n PRO 127 Cb 0.41 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.79 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 3.47 0.57 1.53 2.96 -1.21 -4.87 118.68 121.13 2k8r s LEU 128 Ca 0.00 -0.08 0.34 0.00 -0.22 0.00 0.00 54.13 54.17 2k8r s LEU 128 Cb 0.00 -2.07 1.44 0.00 0.50 0.00 0.00 46.19 46.07 2k8r s LEU 128 CO 0.00 0.24 1.72 -0.65 -1.32 0.00 0.00 176.35 176.34 2k8r h PRO 129 N 4.03 0.00 -5.69 0.98 0.11 -1.97 -3.40 132.00 126.06 2k8r h PRO 129 Ca -0.48 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.11 2k8r h PRO 129 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k8r h PRO 129 CO 0.58 0.00 1.59 1.33 -0.21 0.00 0.00 178.00 181.29 2k8r n VAL 130 N -3.87 0.05 -3.50 3.15 0.24 -1.26 -4.88 118.33 108.26 2k8r n VAL 130 Ca 0.23 -0.60 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 2k8r n VAL 130 Cb 1.23 -2.45 -0.03 0.00 -1.47 0.00 0.00 33.84 31.12 2k8r n VAL 130 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2k8r s SER 131 N 10.55 -0.46 -1.46 -1.34 0.01 -1.26 -4.79 113.70 114.95 2k8r s SER 131 Ca 1.03 -0.08 -0.12 0.00 1.31 0.00 0.00 55.95 58.09 2k8r s SER 131 Cb -0.37 0.55 0.04 0.00 0.21 0.00 0.00 66.02 66.45 2k8r s SER 131 CO 0.32 -0.91 2.34 -1.20 0.41 0.00 0.00 173.24 174.20 2k8r n SER 132 N -0.26 5.43 0.00 2.44 7.64 -1.26 -4.86 113.62 122.75 2k8r n SER 132 Ca -0.17 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 56.86 2k8r n SER 132 Cb 0.64 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2k8r n SER 132 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36