#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 4.25 0.22 -3.48 0.00 -1.26 -4.37 119.74 115.09 2k8r s LYS 2 Ca 0.00 0.47 -0.20 0.00 0.00 0.00 0.00 55.97 56.24 2k8r s LYS 2 Cb 0.00 -3.52 0.04 0.00 0.00 0.00 0.00 37.83 34.34 2k8r s LYS 2 CO 0.00 -0.06 0.62 0.15 0.00 0.00 0.00 175.35 176.05 2k8r s LYS 3 N 1.33 1.50 -0.61 1.78 1.02 -1.26 -5.09 119.74 118.41 2k8r s LYS 3 Ca 0.26 -0.81 -0.26 0.00 0.02 0.00 0.00 55.97 55.18 2k8r s LYS 3 Cb -0.15 0.57 -0.07 0.00 -0.52 0.00 0.00 37.83 37.65 2k8r s LYS 3 CO 0.10 -0.66 2.27 -2.14 -0.92 0.00 0.00 175.35 174.00 2k8r s PRO 4 N -3.86 2.11 0.36 -1.68 0.02 -1.26 -4.37 135.00 126.32 2k8r s PRO 4 Ca 0.08 0.92 0.06 0.00 0.02 0.00 0.00 61.00 62.08 2k8r s PRO 4 Cb -0.03 -4.63 -0.01 0.00 0.02 0.00 0.00 34.50 29.85 2k8r s PRO 4 CO -0.02 -3.46 0.51 0.21 -0.33 0.00 0.00 177.00 173.91 2k8r s LYS 5 N 8.10 3.08 0.01 5.54 2.20 0.16 -4.66 119.74 134.17 2k8r s LYS 5 Ca 0.89 -0.96 -0.08 0.00 -0.36 0.00 0.00 55.97 55.46 2k8r s LYS 5 Cb -0.14 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 2k8r s LYS 5 CO 0.19 -0.02 0.16 -0.48 -0.36 0.00 0.00 175.35 174.84 2k8r s LEU 6 N -4.24 1.49 -0.72 5.43 2.34 -1.26 -3.83 118.68 117.87 2k8r s LEU 6 Ca 0.46 -0.25 -0.04 0.00 0.06 0.00 0.00 54.13 54.36 2k8r s LEU 6 Cb -0.10 0.77 0.19 0.00 -0.56 0.00 0.00 46.19 46.49 2k8r s LEU 6 CO 0.32 -0.43 0.58 -0.22 -1.06 0.00 0.00 176.35 175.54 2k8r s LEU 7 N -1.59 5.55 -0.19 1.48 2.96 -1.26 -2.39 118.68 123.25 2k8r s LEU 7 Ca -0.12 -3.04 -0.26 0.00 -0.22 0.00 0.00 54.13 50.49 2k8r s LEU 7 Cb -0.06 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2k8r s LEU 7 CO 0.00 -0.36 0.88 -0.47 -1.32 0.00 0.00 176.35 175.08 2k8r s TYR 8 N -0.34 3.39 -0.32 5.38 6.14 -0.68 -4.33 117.35 126.59 2k8r s TYR 8 Ca 0.20 1.29 -0.11 0.00 0.64 0.00 0.00 57.07 59.08 2k8r s TYR 8 Cb -0.16 -3.07 -0.02 0.00 0.42 0.00 0.00 41.96 39.13 2k8r s TYR 8 CO -0.06 -0.30 0.20 0.00 0.64 0.00 0.00 175.55 176.02 2k8r n SER 10 N 5.06 2.45 -0.91 0.00 7.64 -1.19 -4.29 113.62 122.37 2k8r n SER 10 Ca -0.13 -2.59 0.05 0.00 1.01 0.00 0.00 58.87 57.20 2k8r n SER 10 Cb 0.50 -0.99 0.08 0.00 -1.01 0.00 0.00 64.21 62.79 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 7.30 1.18 -1.65 6.43 4.05 -1.26 -4.46 115.26 126.84 2k8r n ASN 11 Ca 0.47 -2.67 -0.01 0.00 0.45 0.00 0.00 54.58 52.83 2k8r n ASN 11 Cb 0.37 -0.36 -0.01 0.00 1.23 0.00 0.00 39.78 41.01 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 -0.27 -3.22 0.00 8.20 0.00 -1.26 -4.90 105.19 103.74 2k8r n GLY 12 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.72 3.27 -0.02 0.00 -1.26 -4.96 105.19 103.15 2k8r n GLY 13 Ca -0.05 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.22 2.11 -0.05 1.61 3.76 -1.26 -4.94 115.29 115.30 2k8r s HIS 14 Ca 0.00 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2k8r s HIS 14 Cb 0.00 -1.36 0.02 0.00 1.11 0.00 0.00 32.58 32.35 2k8r s HIS 14 CO 0.00 -0.04 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.73 2k8r s PHE 15 N -0.54 0.90 0.00 1.40 0.40 -1.04 0.85 117.98 119.95 2k8r s PHE 15 Ca 0.09 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 2k8r s PHE 15 Cb -0.09 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.68 2k8r s PHE 15 CO -0.01 -0.22 0.00 1.47 0.70 0.00 0.00 175.22 177.16 2k8r n LEU 16 N 4.07 0.00 -4.05 -0.37 -0.00 -1.22 -4.05 117.00 111.37 2k8r n LEU 16 Ca -0.23 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.53 2k8r n LEU 16 Cb 0.51 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.77 2k8r n LEU 16 CO 0.23 0.00 -0.48 -0.60 -0.00 0.00 0.00 177.39 176.54 2k8r s ARG 17 N 0.00 1.66 -0.08 1.47 3.52 -1.04 -3.44 118.95 121.05 2k8r s ARG 17 Ca 0.00 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 2k8r s ARG 17 Cb 0.00 -1.40 0.01 0.00 -1.56 0.00 0.00 34.95 32.00 2k8r s ARG 17 CO 0.00 0.10 -0.14 -1.50 -0.81 0.00 0.00 175.30 172.94 2k8r s ILE 18 N 0.44 1.33 -0.17 4.11 1.10 -1.26 -0.28 121.20 126.47 2k8r s ILE 18 Ca -0.11 -0.58 -0.13 0.00 -0.51 0.00 0.00 60.65 59.32 2k8r s ILE 18 Cb -0.14 -1.20 -0.05 0.00 0.15 0.00 0.00 42.46 41.22 2k8r s ILE 18 CO 0.03 0.40 0.25 -0.76 -2.11 0.00 0.00 174.94 172.75 2k8r s LEU 19 N 0.70 4.23 0.47 8.50 2.01 0.41 -4.85 118.68 130.15 2k8r s LEU 19 Ca -0.13 0.44 0.31 0.00 0.01 0.00 0.00 54.13 54.75 2k8r s LEU 19 Cb -0.16 -2.30 1.41 0.00 0.01 0.00 0.00 46.19 45.14 2k8r s LEU 19 CO 0.03 0.12 1.71 1.55 1.01 0.00 0.00 176.35 180.78 2k8r h PRO 20 N 6.68 0.14 -0.07 1.29 0.13 -1.90 0.54 132.00 138.80 2k8r h PRO 20 Ca -0.41 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2k8r h PRO 20 Cb 1.16 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2k8r h PRO 20 CO 0.76 0.09 0.21 -0.44 -0.23 0.00 0.00 178.00 178.38 2k8r h ASP 21 N 0.14 0.00 0.00 1.44 3.32 -1.95 -3.36 116.42 116.01 2k8r h ASP 21 Ca 0.69 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.74 2k8r h ASP 21 Cb 2.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.86 2k8r h ASP 21 CO -0.21 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.92 2k8r n GLY 22 N -1.25 0.71 3.51 2.75 0.00 0.19 -4.88 105.19 106.21 2k8r n GLY 22 Ca -0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.67 -0.00 -0.04 2.61 2.01 -0.98 -4.56 115.64 114.01 2k8r s THR 23 Ca 0.00 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.05 2k8r s THR 23 Cb 0.00 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 2k8r s THR 23 CO 0.00 0.00 -0.18 0.54 -0.69 0.00 0.00 174.62 174.29 2k8r s VAL 24 N 0.43 2.77 0.13 3.82 0.11 -1.26 0.15 120.40 126.55 2k8r s VAL 24 Ca -0.01 -0.84 -0.00 0.00 -2.93 0.00 0.00 61.98 58.20 2k8r s VAL 24 Cb -0.04 -2.05 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2k8r s VAL 24 CO -0.01 0.59 0.18 -0.90 -3.33 0.00 0.00 175.10 171.63 2k8r n ASP 25 N 2.36 -0.50 -4.78 3.54 5.75 0.61 -4.23 116.55 119.30 2k8r n ASP 25 Ca -0.17 -1.73 -0.34 0.00 -0.01 0.00 0.00 54.79 52.55 2k8r n ASP 25 Cb 0.52 0.94 0.01 0.00 -1.03 0.00 0.00 41.12 41.57 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 -1.83 2.35 0.00 6.12 0.00 -1.22 -2.49 107.32 110.26 2k8r s GLY 26 Ca 0.11 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.44 2k8r s GLY 26 CO 0.08 0.95 0.00 2.41 0.00 0.00 0.00 173.10 176.54 2k8r n THR 27 N -1.79 0.00 -4.70 0.90 -1.04 0.25 -4.67 114.28 103.23 2k8r n THR 27 Ca 0.10 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.79 2k8r n THR 27 Cb 0.52 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.91 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 2.42 0.32 -2.82 1.70 -1.26 -2.48 118.95 114.83 2k8r s ARG 28 Ca 0.00 -0.76 -0.18 0.00 -0.47 0.00 0.00 55.73 54.32 2k8r s ARG 28 Cb 0.00 -2.38 0.07 0.00 -0.57 0.00 0.00 34.95 32.07 2k8r s ARG 28 CO 0.00 0.60 0.89 0.34 -1.08 0.00 0.00 175.30 176.05 2k8r s ASP 29 N -1.10 0.03 -1.00 -2.89 -1.08 -1.26 -5.06 116.67 104.31 2k8r s ASP 29 Ca 0.14 -1.02 -0.12 0.00 -0.52 0.00 0.00 52.55 51.03 2k8r s ASP 29 Cb -0.11 0.73 0.23 0.00 -1.46 0.00 0.00 42.92 42.31 2k8r s ASP 29 CO 0.04 -1.46 1.02 -0.60 0.52 0.00 0.00 175.17 174.69 2k8r s ARG 30 N -2.12 3.91 -1.21 4.34 6.06 -1.26 -4.63 118.95 124.03 2k8r s ARG 30 Ca 0.18 -2.71 -0.18 0.00 -2.50 0.00 0.00 55.73 50.52 2k8r s ARG 30 Cb -0.04 -4.61 0.00 0.00 0.06 0.00 0.00 34.95 30.36 2k8r s ARG 30 CO 0.10 -1.38 0.70 0.43 -2.50 0.00 0.00 175.30 172.65 2k8r n SER 31 N 3.91 -4.06 -0.02 -2.12 7.64 -1.26 -4.95 113.62 112.77 2k8r n SER 31 Ca 0.22 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 59.04 2k8r n SER 31 Cb 0.44 -3.07 0.00 0.00 -1.01 0.00 0.00 64.21 60.57 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 -2.67 0.00 0.00 6.43 -0.08 -1.26 -4.45 116.55 114.53 2k8r n ASP 32 Ca -0.14 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 2k8r n ASP 32 Cb 0.61 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.07 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 0.10 -0.67 7.27 -1.26 -4.45 117.38 118.37 2k8r n GLN 33 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 2k8r n GLN 33 Cb 0.00 0.00 0.17 0.00 2.41 0.00 0.00 30.24 32.82 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 0.26 0.00 3.69 6.17 -1.88 -3.44 115.15 119.94 2k8r h HIS 34 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 60.99 2k8r h HIS 34 Cb 0.00 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 29.88 2k8r h HIS 34 CO 0.00 0.69 0.00 -0.89 0.71 0.00 0.00 177.93 178.44 2k8r n ILE 35 N -3.93 0.00 -3.17 6.26 5.41 -1.26 -5.04 119.36 117.64 2k8r n ILE 35 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.78 2k8r n ILE 35 Cb 0.56 -0.01 -0.02 0.00 -0.71 0.00 0.00 39.64 39.46 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 -1.35 0.17 -0.26 0.38 0.74 -1.26 -4.82 119.66 113.25 2k8r s GLN 36 Ca 0.00 0.31 -0.17 0.00 0.05 0.00 0.00 55.36 55.55 2k8r s GLN 36 Cb 0.00 0.18 -0.03 0.00 1.10 0.00 0.00 33.01 34.26 2k8r s GLN 36 CO 0.00 -0.16 0.47 -1.17 -0.55 0.00 0.00 175.29 173.88 2k8r s LEU 37 N 2.85 4.05 -0.11 3.68 0.20 -1.25 0.10 118.68 128.21 2k8r s LEU 37 Ca -0.02 0.45 0.03 0.00 0.69 0.00 0.00 54.13 55.28 2k8r s LEU 37 Cb -0.09 -2.59 -0.00 0.00 -0.43 0.00 0.00 46.19 43.07 2k8r s LEU 37 CO -0.11 -0.26 -0.22 -1.10 -0.29 0.00 0.00 176.35 174.37 2k8r s GLN 38 N 2.24 3.10 -0.24 1.98 -0.21 0.41 0.39 119.66 127.33 2k8r s GLN 38 Ca 0.19 -0.84 -0.03 0.00 0.02 0.00 0.00 55.36 54.70 2k8r s GLN 38 Cb -0.16 -2.37 0.08 0.00 1.00 0.00 0.00 33.01 31.56 2k8r s GLN 38 CO 0.09 0.17 0.08 -1.17 -2.12 0.00 0.00 175.29 172.34 2k8r s LEU 39 N 0.39 1.12 0.00 2.90 0.20 -1.26 0.13 118.68 122.16 2k8r s LEU 39 Ca -0.17 -1.10 0.00 0.00 0.69 0.00 0.00 54.13 53.56 2k8r s LEU 39 Cb -0.17 -0.54 0.00 0.00 -0.43 0.00 0.00 46.19 45.05 2k8r s LEU 39 CO 0.07 -0.37 0.00 -1.20 -0.29 0.00 0.00 176.35 174.56 2k8r n SER 40 N 5.09 0.00 -0.00 3.68 7.64 -1.12 -4.15 113.62 124.76 2k8r n SER 40 Ca -0.06 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.82 2k8r n SER 40 Cb 0.45 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.23 -0.43 0.00 -1.26 -4.04 120.51 112.55 2k8r n ALA 41 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2k8r n ALA 41 Cb 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.87 1.01 1.02 0.00 0.41 -1.26 -4.94 118.70 112.07 2k8r s GLU 42 Ca 0.00 -1.43 -0.12 0.00 -0.41 0.00 0.00 54.97 53.01 2k8r s GLU 42 Cb 0.00 -0.48 0.20 0.00 -1.78 0.00 0.00 34.13 32.07 2k8r s GLU 42 CO 0.00 0.03 1.08 -1.54 -0.49 0.00 0.00 175.26 174.34 2k8r s SER 43 N -3.14 2.39 0.14 -0.19 1.04 -1.26 -4.74 113.70 107.94 2k8r s SER 43 Ca 0.16 1.33 -0.34 0.00 0.48 0.00 0.00 55.95 57.58 2k8r s SER 43 Cb 0.04 -2.01 -0.17 0.00 0.10 0.00 0.00 66.02 63.98 2k8r s SER 43 CO -0.00 -3.30 1.08 0.55 0.98 0.00 0.00 173.24 172.54 2k8r n VAL 44 N -4.30 0.83 0.00 5.02 3.14 -1.26 -1.87 118.33 119.89 2k8r n VAL 44 Ca 0.05 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2k8r n VAL 44 Cb 0.56 -0.59 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 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 1.95 1.85 3.76 7.55 0.00 -1.26 -4.95 105.19 114.08 2k8r n GLY 45 Ca 0.16 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 4.27 0.02 1.61 2.02 -0.78 -2.09 118.70 123.75 2k8r s GLU 46 Ca 0.00 2.32 0.00 0.00 0.02 0.00 0.00 54.97 57.31 2k8r s GLU 46 Cb 0.00 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.13 2k8r s GLU 46 CO 0.00 -0.37 -0.03 0.14 0.02 0.00 0.00 175.26 175.02 2k8r s VAL 47 N -0.49 0.15 -0.18 2.63 -7.23 0.22 -4.09 120.40 111.42 2k8r s VAL 47 Ca 0.55 -0.78 -0.02 0.00 -1.81 0.00 0.00 61.98 59.92 2k8r s VAL 47 Cb -0.42 -0.26 -0.01 0.00 0.56 0.00 0.00 36.38 36.25 2k8r s VAL 47 CO 0.49 -0.40 -0.09 -0.47 -0.31 0.00 0.00 175.10 174.32 2k8r s TYR 48 N -1.20 2.89 -0.48 2.82 6.14 -1.26 -0.61 117.35 125.65 2k8r s TYR 48 Ca -0.13 -0.85 -0.18 0.00 0.64 0.00 0.00 57.07 56.56 2k8r s TYR 48 Cb -0.08 -1.98 0.06 0.00 0.42 0.00 0.00 41.96 40.37 2k8r s TYR 48 CO -0.01 -0.42 0.52 0.42 0.64 0.00 0.00 175.55 176.71 2k8r s ILE 49 N 0.98 5.03 -0.44 3.14 1.01 -1.24 -2.79 121.20 126.88 2k8r s ILE 49 Ca -0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.90 2k8r s ILE 49 Cb -0.15 -4.20 0.10 0.00 0.01 0.00 0.00 42.46 38.22 2k8r s ILE 49 CO -0.01 -0.67 0.30 -0.75 0.00 0.00 0.00 174.94 173.82 2k8r s LYS 50 N 2.23 2.53 -0.40 2.79 2.47 0.35 -3.88 119.74 125.82 2k8r s LYS 50 Ca 0.11 -1.61 -0.18 0.00 -1.56 0.00 0.00 55.97 52.72 2k8r s LYS 50 Cb -0.20 -3.84 0.01 0.00 -1.46 0.00 0.00 37.83 32.34 2k8r s LYS 50 CO 0.11 -1.07 0.51 -1.12 0.16 0.00 0.00 175.35 173.93 2k8r s SER 51 N 2.37 6.26 0.00 1.43 0.01 -1.26 0.15 113.70 122.67 2k8r s SER 51 Ca 0.04 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2k8r s SER 51 Cb -0.25 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2k8r s SER 51 CO 0.01 -0.60 0.00 0.41 0.41 0.00 0.00 173.24 173.47 2k8r n THR 52 N 5.54 -0.65 -0.32 1.44 -1.04 0.29 -4.16 114.28 115.38 2k8r n THR 52 Ca -0.05 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.94 2k8r n THR 52 Cb 0.48 -0.65 0.04 0.00 -1.82 0.00 0.00 70.33 68.38 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 0.00 -0.05 -2.55 -2.82 4.57 -1.86 -3.42 114.58 108.45 2k8r h GLU 53 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.09 2k8r h GLU 53 Cb 0.00 0.01 -0.22 0.00 -0.16 0.00 0.00 28.75 28.39 2k8r h GLU 53 CO 0.00 -0.03 -0.10 0.95 -1.18 0.00 0.00 179.01 178.64 2k8r s THR 54 N -6.01 0.01 0.00 0.32 -4.23 -1.26 -4.94 115.64 99.54 2k8r s THR 54 Ca -0.14 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 2k8r s THR 54 Cb 0.20 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 73.30 2k8r s THR 54 CO 0.71 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 2k8r n GLY 55 N 2.09 1.06 3.11 3.99 0.00 -1.26 -5.09 105.19 109.09 2k8r n GLY 55 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.33 0.68 -0.21 1.61 -1.52 -1.26 -4.67 119.66 113.96 2k8r s GLN 56 Ca 0.00 -1.23 -0.04 0.00 -1.95 0.00 0.00 55.36 52.14 2k8r s GLN 56 Cb 0.00 0.23 0.11 0.00 -0.22 0.00 0.00 33.01 33.13 2k8r s GLN 56 CO 0.00 -0.15 0.33 -0.47 -0.25 0.00 0.00 175.29 174.75 2k8r s TYR 57 N -3.94 -0.62 -0.31 0.91 6.14 0.28 -4.68 117.35 115.14 2k8r s TYR 57 Ca 0.10 0.75 -0.29 0.00 0.64 0.00 0.00 57.07 58.27 2k8r s TYR 57 Cb 0.08 -0.06 0.01 0.00 0.42 0.00 0.00 41.96 42.40 2k8r s TYR 57 CO -0.08 -0.62 1.17 -1.17 0.64 0.00 0.00 175.55 175.49 2k8r s LEU 58 N 2.48 3.92 0.02 6.97 1.98 -1.25 -2.57 118.68 130.23 2k8r s LEU 58 Ca 0.08 1.13 0.00 0.00 -2.89 0.00 0.00 54.13 52.45 2k8r s LEU 58 Cb -0.15 -3.54 -0.02 0.00 0.66 0.00 0.00 46.19 43.14 2k8r s LEU 58 CO -0.14 -0.96 -0.04 0.00 -1.89 0.00 0.00 176.35 173.33 2k8r s ALA 59 N 3.93 0.20 0.12 5.97 0.00 0.31 -4.46 121.76 127.83 2k8r s ALA 59 Ca 0.50 -0.55 -0.14 0.00 0.00 0.00 0.00 51.96 51.76 2k8r s ALA 59 Cb -0.14 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.02 2k8r s ALA 59 CO 0.19 -0.11 0.52 0.00 0.00 0.00 0.00 175.76 176.36 2k8r s MET 60 N -1.29 3.98 0.30 0.00 0.23 -1.26 0.48 119.30 121.74 2k8r s MET 60 Ca -0.13 0.48 -0.20 0.00 -1.03 0.00 0.00 55.69 54.82 2k8r s MET 60 Cb -0.09 -3.01 -0.09 0.00 -1.53 0.00 0.00 34.83 30.11 2k8r s MET 60 CO -0.01 0.53 0.80 0.34 -2.03 0.00 0.00 175.02 174.65 2k8r s ASP 61 N -1.58 7.01 0.35 -1.18 2.15 0.15 -4.88 116.67 118.69 2k8r s ASP 61 Ca 0.35 1.50 0.03 0.00 0.43 0.00 0.00 52.55 54.86 2k8r s ASP 61 Cb -0.16 -2.45 0.67 0.00 -0.30 0.00 0.00 42.92 40.68 2k8r s ASP 61 CO 0.18 -0.11 1.99 0.00 -0.17 0.00 0.00 175.17 177.07 2k8r h THR 62 N 2.38 1.11 0.00 1.71 1.03 -1.98 -3.34 112.91 113.83 2k8r h THR 62 Ca -0.48 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 65.64 2k8r h THR 62 Cb 1.19 0.21 0.00 0.00 -1.07 0.00 0.00 68.15 68.48 2k8r h THR 62 CO 0.65 0.15 0.00 -0.67 -0.01 0.00 0.00 175.52 175.64 2k8r n ASP 63 N -4.45 0.00 -0.41 0.00 -0.08 -1.26 -4.94 116.55 105.41 2k8r n ASP 63 Ca 0.08 0.22 -0.00 0.00 -1.51 0.00 0.00 54.79 53.58 2k8r n ASP 63 Cb 0.11 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.56 2k8r n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k8r n GLY 64 N 1.13 0.69 2.17 0.27 0.00 -1.25 -4.71 105.19 103.49 2k8r n GLY 64 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2k8r n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k8r n LEU 65 N 0.00 0.00 -3.86 0.99 7.99 -1.26 -1.43 117.00 119.43 2k8r n LEU 65 Ca -0.02 -1.80 -0.12 0.00 -0.01 0.00 0.00 56.01 54.07 2k8r n LEU 65 Cb 0.39 0.12 -0.12 0.00 -0.11 0.00 0.00 43.42 43.70 2k8r n LEU 65 CO -0.01 -0.33 -0.24 -0.76 -1.51 0.00 0.00 177.39 174.53 2k8r s LEU 66 N 0.00 1.67 0.06 2.23 1.02 -1.26 0.29 118.68 122.69 2k8r s LEU 66 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 54.13 54.22 2k8r s LEU 66 Cb -0.01 0.41 -0.04 0.00 0.02 0.00 0.00 46.19 46.58 2k8r s LEU 66 CO 0.04 -0.16 -0.04 -0.72 0.02 0.00 0.00 176.35 175.49 2k8r s TYR 67 N -0.53 0.60 -0.35 0.29 1.13 0.18 -4.50 117.35 114.17 2k8r s TYR 67 Ca -0.06 -0.93 0.11 0.00 -1.41 0.00 0.00 57.07 54.79 2k8r s TYR 67 Cb -0.04 -0.40 0.29 0.00 -1.10 0.00 0.00 41.96 40.71 2k8r s TYR 67 CO 0.00 -0.27 1.22 0.41 -2.51 0.00 0.00 175.55 174.40 2k8r n GLY 68 N 0.34 3.58 3.76 5.49 0.00 -1.24 0.11 105.19 117.23 2k8r n GLY 68 Ca -0.15 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.62 7.32 -0.29 1.61 0.01 -1.06 0.10 113.70 119.76 2k8r s SER 69 Ca 0.24 2.22 -0.38 0.00 1.31 0.00 0.00 55.95 59.35 2k8r s SER 69 Cb 0.18 -2.62 -0.14 0.00 0.21 0.00 0.00 66.02 63.65 2k8r s SER 69 CO 0.08 -0.11 1.91 1.67 0.41 0.00 0.00 173.24 177.19 2k8r n GLN 70 N 1.28 1.21 -3.15 12.44 0.00 -1.26 -4.15 117.38 123.75 2k8r n GLN 70 Ca -0.01 0.42 0.04 0.00 -0.00 0.00 0.00 57.00 57.45 2k8r n GLN 70 Cb 0.45 -2.24 -0.00 0.00 0.00 0.00 0.00 30.24 28.44 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 4.78 -0.77 -1.08 1.69 2.01 -1.26 -4.97 115.64 116.04 2k8r s THR 71 Ca 1.02 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.79 2k8r s THR 71 Cb -0.99 -0.82 -0.11 0.00 0.01 0.00 0.00 72.50 70.59 2k8r s THR 71 CO 0.60 0.00 1.93 -0.81 -0.69 0.00 0.00 174.62 175.64 2k8r n PRO 72 N 5.35 1.56 -4.51 4.92 -0.04 -1.26 -4.90 135.00 136.12 2k8r n PRO 72 Ca 0.04 -2.32 -0.25 0.00 -0.04 0.00 0.00 63.50 60.93 2k8r n PRO 72 Cb 0.54 -3.54 -0.10 0.00 -0.04 0.00 0.00 33.50 30.36 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 6.16 3.69 0.44 3.54 3.84 -1.26 -5.03 114.94 126.32 2k8r s ASN 73 Ca 0.66 -1.12 0.23 0.00 0.21 0.00 0.00 52.86 52.84 2k8r s ASN 73 Cb 0.03 -0.34 0.91 0.00 -0.55 0.00 0.00 41.25 41.31 2k8r s ASN 73 CO 0.14 -0.10 1.83 -0.33 -2.79 0.00 0.00 177.10 175.84 2k8r h GLU 74 N 2.12 0.00 -0.53 0.43 5.08 -2.00 -3.16 114.58 116.52 2k8r h GLU 74 Ca -0.41 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.10 2k8r h GLU 74 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2k8r h GLU 74 CO 0.66 0.24 0.70 0.93 -1.00 0.00 0.00 179.01 180.54 2k8r h GLU 75 N 0.00 0.00 0.00 2.33 4.39 -1.95 0.24 114.58 119.59 2k8r h GLU 75 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k8r h GLU 75 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2k8r h GLU 75 CO 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.88 2k8r s LEU 77 N -5.21 3.54 0.45 0.00 2.01 0.84 -3.68 118.68 116.64 2k8r s LEU 77 Ca -0.01 0.41 0.04 0.00 0.01 0.00 0.00 54.13 54.58 2k8r s LEU 77 Cb 0.09 -3.38 -0.05 0.00 0.01 0.00 0.00 46.19 42.86 2k8r s LEU 77 CO 0.36 -1.42 0.01 -0.36 1.01 0.00 0.00 176.35 175.95 2k8r s PHE 78 N 5.00 2.20 -0.17 0.29 0.08 0.22 -1.31 117.98 124.29 2k8r s PHE 78 Ca 0.50 -0.81 0.00 0.00 0.12 0.00 0.00 56.93 56.74 2k8r s PHE 78 Cb -0.09 -1.69 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2k8r s PHE 78 CO 0.29 0.33 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.41 2k8r s LEU 79 N -3.78 2.36 -0.23 -0.37 1.98 0.40 0.73 118.68 119.77 2k8r s LEU 79 Ca 0.22 -0.54 -0.07 0.00 -2.89 0.00 0.00 54.13 50.84 2k8r s LEU 79 Cb 0.06 -1.54 -0.03 0.00 0.66 0.00 0.00 46.19 45.34 2k8r s LEU 79 CO 0.11 0.04 0.06 -0.70 -1.89 0.00 0.00 176.35 173.97 2k8r s GLU 80 N 1.07 3.72 -0.33 1.98 2.12 -0.89 -1.43 118.70 124.94 2k8r s GLU 80 Ca -0.01 -0.45 0.03 0.00 0.36 0.00 0.00 54.97 54.90 2k8r s GLU 80 Cb -0.14 -3.28 0.10 0.00 0.26 0.00 0.00 34.13 31.06 2k8r s GLU 80 CO -0.05 -0.07 0.05 0.50 -0.54 0.00 0.00 175.26 175.14 2k8r s ARG 81 N 1.30 1.43 -0.25 4.30 3.52 0.16 -4.74 118.95 124.68 2k8r s ARG 81 Ca 0.05 -1.74 -0.20 0.00 -0.13 0.00 0.00 55.73 53.71 2k8r s ARG 81 Cb -0.15 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 2k8r s ARG 81 CO 0.03 -0.92 0.62 -1.17 -0.81 0.00 0.00 175.30 173.05 2k8r s LEU 82 N 1.00 4.07 0.00 -0.88 2.96 -1.26 0.23 118.68 124.80 2k8r s LEU 82 Ca 0.10 0.71 0.26 0.00 -0.22 0.00 0.00 54.13 54.97 2k8r s LEU 82 Cb -0.19 -2.84 0.97 0.00 0.50 0.00 0.00 46.19 44.63 2k8r s LEU 82 CO -0.10 -0.35 1.69 1.21 -1.32 0.00 0.00 176.35 177.48 2k8r n GLU 83 N 5.63 1.67 0.00 1.98 2.13 0.19 -4.95 120.64 127.29 2k8r n GLU 83 Ca -0.01 -0.99 0.00 0.00 0.66 0.00 0.00 57.16 56.82 2k8r n GLU 83 Cb 0.49 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.75 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 0.20 0.00 -1.27 5.31 2.13 -1.24 -4.81 120.64 120.96 2k8r n GLU 84 Ca 0.18 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.58 2k8r n GLU 84 Cb 0.34 -0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.01 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 2.63 3.02 -4.46 4.31 5.15 -1.26 -4.42 115.26 120.24 2k8r n ASN 85 Ca 0.00 -2.70 -0.40 0.00 -0.60 0.00 0.00 54.58 50.88 2k8r n ASN 85 Cb 0.00 -1.24 -0.07 0.00 -0.53 0.00 0.00 39.78 37.94 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 6.94 -1.29 -3.73 1.20 1.44 -1.26 -4.91 115.22 113.61 2k8r n HIS 86 Ca 0.50 0.71 -0.12 0.00 -2.01 0.00 0.00 57.72 56.80 2k8r n HIS 86 Cb 0.39 -2.19 -0.12 0.00 0.12 0.00 0.00 29.99 28.19 2k8r n HIS 86 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 2k8r s TYR 87 N -3.37 -0.41 -0.02 -1.40 5.04 -1.26 -4.73 117.35 111.20 2k8r s TYR 87 Ca 0.73 0.93 0.01 0.00 -2.44 0.00 0.00 57.07 56.30 2k8r s TYR 87 Cb -0.42 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.03 2k8r s TYR 87 CO 1.01 -0.24 -0.01 1.21 -1.34 0.00 0.00 175.55 176.17 2k8r s ASN 88 N 0.99 0.33 -0.01 4.32 2.47 -0.51 0.55 114.94 123.07 2k8r s ASN 88 Ca -0.07 -0.03 -0.11 0.00 0.42 0.00 0.00 52.86 53.07 2k8r s ASN 88 Cb -0.07 -0.13 -0.05 0.00 -1.45 0.00 0.00 41.25 39.54 2k8r s ASN 88 CO -0.07 -0.05 0.33 -0.89 -3.72 0.00 0.00 177.10 172.70 2k8r s THR 89 N 0.58 5.17 -0.13 -5.21 2.01 0.63 -3.49 115.64 115.20 2k8r s THR 89 Ca -0.06 0.56 -0.00 0.00 0.31 0.00 0.00 61.69 62.50 2k8r s THR 89 Cb -0.08 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.84 2k8r s THR 89 CO -0.01 0.51 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.03 2k8r s TYR 90 N -1.16 1.63 0.06 4.92 2.02 -1.26 0.38 117.35 123.95 2k8r s TYR 90 Ca 0.24 -0.87 0.01 0.00 -0.37 0.00 0.00 57.07 56.08 2k8r s TYR 90 Cb -0.15 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 40.07 2k8r s TYR 90 CO 0.13 -0.55 -0.05 0.96 -1.57 0.00 0.00 175.55 174.46 2k8r s ILE 91 N 1.66 0.41 0.03 2.71 -4.36 -0.51 -3.79 121.20 117.35 2k8r s ILE 91 Ca 0.04 -1.48 -0.30 0.00 -0.26 0.00 0.00 60.65 58.65 2k8r s ILE 91 Cb -0.13 -1.08 -0.05 0.00 1.25 0.00 0.00 42.46 42.45 2k8r s ILE 91 CO -0.09 -0.71 1.27 -0.44 0.24 0.00 0.00 174.94 175.21 2k8r s SER 92 N -2.32 6.99 -0.10 4.36 0.01 -1.26 0.15 113.70 121.53 2k8r s SER 92 Ca -0.01 2.03 -0.20 0.00 1.31 0.00 0.00 55.95 59.09 2k8r s SER 92 Cb -0.01 -2.57 -0.17 0.00 0.21 0.00 0.00 66.02 63.48 2k8r s SER 92 CO -0.04 -0.57 0.65 0.50 0.41 0.00 0.00 173.24 174.19 2k8r h LYS 93 N 7.17 -0.07 -0.64 12.44 3.11 -1.44 -3.29 116.57 133.85 2k8r h LYS 93 Ca -0.39 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.49 2k8r h LYS 93 Cb 1.19 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.40 2k8r h LYS 93 CO 0.85 0.50 0.42 -0.22 -2.81 0.00 0.00 179.45 178.20 2k8r h LYS 94 N -0.93 0.70 -1.39 1.90 3.64 -1.86 -2.13 116.57 116.51 2k8r h LYS 94 Ca -0.01 -0.04 -0.45 0.00 -1.27 0.00 0.00 60.65 58.88 2k8r h LYS 94 Cb 0.60 -0.16 -0.19 0.00 -0.41 0.00 0.00 32.23 32.07 2k8r h LYS 94 CO 0.01 0.46 0.57 0.72 -2.27 0.00 0.00 179.45 178.95 2k8r n HIS 95 N -4.47 2.10 -0.29 1.91 8.25 -1.25 -4.60 115.22 116.88 2k8r n HIS 95 Ca 0.08 -2.31 0.18 0.00 -0.26 0.00 0.00 57.72 55.41 2k8r n HIS 95 Cb 0.16 -1.14 0.45 0.00 1.12 0.00 0.00 29.99 30.59 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 1.73 2.06 0.00 -1.41 0.00 -1.44 0.53 119.26 120.72 2k8r h ALA 96 Ca 0.40 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 2k8r h ALA 96 Cb 0.86 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2k8r h ALA 96 CO 1.04 -0.38 -0.02 0.93 0.00 0.00 0.00 179.25 180.81 2k8r h GLU 97 N 0.51 0.00 -1.80 0.00 4.39 -1.88 -3.21 114.58 112.60 2k8r h GLU 97 Ca 0.52 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.75 2k8r h GLU 97 Cb 1.14 0.00 -0.37 0.00 -0.10 0.00 0.00 28.75 29.42 2k8r h GLU 97 CO -0.25 0.02 -1.10 1.63 -1.16 0.00 0.00 179.01 178.15 2k8r n LYS 98 N -3.61 0.91 -2.61 2.33 5.02 0.18 -5.09 118.16 115.29 2k8r n LYS 98 Ca -0.03 -3.19 -0.43 0.00 -2.02 0.00 0.00 58.31 52.65 2k8r n LYS 98 Cb 0.11 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.04 6.49 -0.00 4.39 4.22 -0.73 -4.90 114.94 122.37 2k8r s ASN 99 Ca 0.37 0.17 0.06 0.00 -2.14 0.00 0.00 52.86 51.33 2k8r s ASN 99 Cb 0.30 -2.54 -0.03 0.00 1.28 0.00 0.00 41.25 40.26 2k8r s ASN 99 CO -0.09 -1.39 -0.20 0.26 -2.04 0.00 0.00 177.10 173.64 2k8r s TRP 100 N 4.71 2.52 0.27 1.54 0.52 -1.26 -4.96 118.94 122.27 2k8r s TRP 100 Ca 0.43 -0.29 -0.30 0.00 0.02 0.00 0.00 56.10 55.96 2k8r s TRP 100 Cb -0.08 -1.52 -0.10 0.00 -1.15 0.00 0.00 33.47 30.63 2k8r s TRP 100 CO 0.27 0.14 1.36 -0.06 0.02 0.00 0.00 176.95 178.68 2k8r s PHE 101 N -0.76 3.08 0.00 -1.98 0.08 -1.26 -4.56 117.98 112.58 2k8r s PHE 101 Ca 0.12 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.38 2k8r s PHE 101 Cb -0.10 -3.72 0.00 0.00 -0.57 0.00 0.00 43.02 38.62 2k8r s PHE 101 CO 0.02 -2.21 0.00 1.33 -0.10 0.00 0.00 175.22 174.25 2k8r n VAL 102 N 1.84 0.00 0.00 -0.44 0.24 -1.25 -4.44 118.33 114.29 2k8r n VAL 102 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2k8r n VAL 102 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 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 5.00 1.62 3.96 7.63 0.00 -1.26 -4.61 105.19 117.53 2k8r n GLY 103 Ca 0.00 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 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 3.86 -0.14 0.99 2.34 -1.26 -2.05 118.68 122.41 2k8r s LEU 104 Ca 0.00 0.23 -0.05 0.00 0.06 0.00 0.00 54.13 54.37 2k8r s LEU 104 Cb 0.00 -3.11 -0.04 0.00 -0.56 0.00 0.00 46.19 42.49 2k8r s LEU 104 CO 0.00 -0.49 0.04 -0.75 -1.06 0.00 0.00 176.35 174.09 2k8r s LYS 105 N -4.37 3.60 0.33 1.48 2.47 0.53 -4.91 119.74 118.86 2k8r s LYS 105 Ca 0.44 -0.36 0.18 0.00 -1.56 0.00 0.00 55.97 54.67 2k8r s LYS 105 Cb -0.10 -3.05 1.20 0.00 -1.46 0.00 0.00 37.83 34.42 2k8r s LYS 105 CO 0.35 0.45 1.42 0.36 0.16 0.00 0.00 175.35 178.09 2k8r n LYS 106 N 2.97 -0.05 -0.06 4.03 2.85 -1.26 0.12 118.16 126.76 2k8r n LYS 106 Ca -0.18 1.25 0.24 0.00 -1.05 0.00 0.00 58.31 58.57 2k8r n LYS 106 Cb 0.53 -2.23 0.72 0.00 -0.65 0.00 0.00 35.03 33.40 2k8r n LYS 106 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2k8r h ASN 107 N 0.00 0.00 0.00 -5.58 -0.73 -1.97 -3.22 115.58 104.09 2k8r h ASN 107 Ca 0.76 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.93 2k8r h ASN 107 Cb 1.99 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.58 2k8r h ASN 107 CO -0.70 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 176.97 2k8r n GLY 108 N -1.63 0.86 3.12 1.57 0.00 0.33 -4.95 105.19 104.49 2k8r n GLY 108 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.87 -0.25 -0.22 1.61 0.01 -1.07 -4.87 113.70 108.03 2k8r s SER 109 Ca 0.00 0.48 -0.08 0.00 1.31 0.00 0.00 55.95 57.66 2k8r s SER 109 Cb 0.00 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.68 2k8r s SER 109 CO 0.00 -0.08 0.09 0.00 0.41 0.00 0.00 173.24 173.65 2k8r s LYS 111 N 1.09 2.84 -0.06 0.00 -0.14 -0.87 -4.78 119.74 117.82 2k8r s LYS 111 Ca 0.05 -2.85 -0.05 0.00 -1.36 0.00 0.00 55.97 51.76 2k8r s LYS 111 Cb -0.14 -3.81 -0.03 0.00 -1.68 0.00 0.00 37.83 32.17 2k8r s LYS 111 CO 0.04 -1.22 -0.12 -2.13 -0.76 0.00 0.00 175.35 171.16 2k8r n ARG 112 N 2.98 0.19 -0.03 1.68 0.00 -1.21 -4.56 116.66 115.71 2k8r n ARG 112 Ca 0.14 0.08 -0.15 0.00 -0.00 0.00 0.00 57.85 57.92 2k8r n ARG 112 Cb 0.37 -0.82 -0.11 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 -0.32 0.17 -0.85 5.14 0.00 -1.53 -3.29 103.07 102.38 2k8r h GLY 113 Ca -0.16 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 46.98 2k8r h GLY 113 CO -0.10 0.24 -0.50 -1.05 0.00 0.00 0.00 176.54 175.13 2k8r n PRO 114 N -4.56 -0.37 0.00 4.80 -0.02 -1.26 -4.59 135.00 129.00 2k8r n PRO 114 Ca -0.09 1.29 0.00 0.00 -2.02 0.00 0.00 63.50 62.68 2k8r n PRO 114 Cb 0.46 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 -5.07 0.00 -4.26 -0.52 0.00 -1.26 -5.16 116.66 100.39 2k8r n ARG 115 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.53 2k8r n ARG 115 Cb 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.58 2k8r n ARG 115 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2k8r s THR 116 N 0.00 4.31 0.00 5.15 -1.32 -1.24 -4.71 115.64 117.82 2k8r s THR 116 Ca 0.00 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 2k8r s THR 116 Cb 0.00 -2.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 2k8r s THR 116 CO 0.00 0.51 0.00 1.41 -2.21 0.00 0.00 174.62 174.33 2k8r n HIS 117 N 3.15 0.00 -2.98 9.09 -0.00 -1.26 -4.85 115.22 118.38 2k8r n HIS 117 Ca -0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.23 2k8r n HIS 117 Cb 0.53 0.00 -0.05 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 3.40 0.00 4.41 1.51 -1.26 -4.83 117.35 120.58 2k8r s TYR 118 Ca 0.00 1.23 0.00 0.00 -1.01 0.00 0.00 57.07 57.29 2k8r s TYR 118 Cb 0.00 -2.56 0.00 0.00 -0.11 0.00 0.00 41.96 39.29 2k8r s TYR 118 CO 0.00 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 2k8r n GLY 119 N -0.73 -2.65 0.44 0.71 0.00 -1.26 -4.36 105.19 97.33 2k8r n GLY 119 Ca 0.04 -0.88 0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 0.16 -0.92 1.61 4.20 -1.92 0.69 115.11 118.93 2k8r h GLN 120 Ca 0.00 -0.01 0.25 0.00 0.06 0.00 0.00 58.65 58.95 2k8r h GLN 120 Cb 0.00 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 2k8r h GLN 120 CO 0.00 0.11 0.64 1.57 -0.67 0.00 0.00 178.83 180.48 2k8r h LYS 121 N 0.17 0.11 -0.25 1.46 5.09 -1.86 0.21 116.57 121.49 2k8r h LYS 121 Ca 0.76 -0.01 -0.05 0.00 0.09 0.00 0.00 60.65 61.44 2k8r h LYS 121 Cb 2.25 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 34.54 2k8r h LYS 121 CO -0.42 0.07 -0.07 0.00 -2.09 0.00 0.00 179.45 176.94 2k8r h ALA 122 N 1.57 1.41 -1.13 0.07 0.00 0.20 -3.35 119.26 118.02 2k8r h ALA 122 Ca 0.45 -0.21 -0.37 0.00 0.00 0.00 0.00 54.91 54.78 2k8r h ALA 122 Cb 1.60 -0.12 -0.31 0.00 0.00 0.00 0.00 17.79 18.96 2k8r h ALA 122 CO -0.06 0.41 -0.92 -0.89 0.00 0.00 0.00 179.25 177.78 2k8r n ILE 123 N -4.27 0.08 -2.80 0.00 -0.00 0.52 -4.47 119.36 108.43 2k8r n ILE 123 Ca 0.00 -3.25 -0.10 0.00 -0.00 0.00 0.00 62.75 59.40 2k8r n ILE 123 Cb 0.26 0.47 0.06 0.00 -0.00 0.00 0.00 39.64 40.44 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 0.17 -2.05 -4.87 1.39 7.94 0.03 -4.89 117.00 114.71 2k8r n LEU 124 Ca 0.15 -3.80 -0.36 0.00 -1.11 0.00 0.00 56.01 50.90 2k8r n LEU 124 Cb 0.71 0.89 -0.06 0.00 0.53 0.00 0.00 43.42 45.49 2k8r n LEU 124 CO 0.15 2.09 0.02 -0.36 -1.11 0.00 0.00 177.39 178.17 2k8r s PHE 125 N 0.03 3.61 -0.60 1.96 0.08 -1.23 -3.15 117.98 118.68 2k8r s PHE 125 Ca 0.26 0.74 0.03 0.00 0.12 0.00 0.00 56.93 58.08 2k8r s PHE 125 Cb 0.28 -2.11 0.15 0.00 -0.57 0.00 0.00 43.02 40.77 2k8r s PHE 125 CO -0.10 0.60 0.37 -1.17 -0.10 0.00 0.00 175.22 174.82 2k8r s LEU 126 N -1.60 4.65 0.50 -0.37 2.96 0.25 -1.43 118.68 123.64 2k8r s LEU 126 Ca 0.28 -3.22 -0.04 0.00 -0.22 0.00 0.00 54.13 50.92 2k8r s LEU 126 Cb -0.14 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2k8r s LEU 126 CO 0.15 -0.22 0.79 -2.16 -1.32 0.00 0.00 176.35 173.59 2k8r s PRO 127 N -0.58 3.34 0.29 0.98 0.04 -1.26 -1.69 135.00 136.12 2k8r s PRO 127 Ca 0.19 0.05 -0.29 0.00 0.04 0.00 0.00 61.00 60.99 2k8r s PRO 127 Cb -0.19 -2.39 -0.10 0.00 0.04 0.00 0.00 34.50 31.86 2k8r s PRO 127 CO -0.05 -0.31 1.17 -1.17 0.04 0.00 0.00 177.00 176.69 2k8r s LEU 128 N -4.76 4.51 0.32 -3.56 2.96 -1.01 -4.92 118.68 112.22 2k8r s LEU 128 Ca 0.49 2.39 0.07 0.00 -0.22 0.00 0.00 54.13 56.86 2k8r s LEU 128 Cb -0.10 -3.63 0.89 0.00 0.50 0.00 0.00 46.19 43.85 2k8r s LEU 128 CO 0.44 -0.28 1.61 -0.65 -1.32 0.00 0.00 176.35 176.15 2k8r h PRO 129 N 3.83 0.12 -5.43 0.98 0.11 -1.97 -3.40 132.00 126.25 2k8r h PRO 129 Ca -0.47 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.09 2k8r h PRO 129 Cb 1.22 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2k8r h PRO 129 CO 0.67 0.08 1.63 1.33 -0.21 0.00 0.00 178.00 181.51 2k8r n VAL 130 N -5.29 0.01 -3.19 3.15 0.24 -1.26 -4.81 118.33 107.19 2k8r n VAL 130 Ca 0.26 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2k8r n VAL 130 Cb 0.86 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 2k8r n VAL 130 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2k8r n SER 131 N 11.82 0.00 -4.75 -1.34 7.64 -1.26 -4.77 113.62 120.96 2k8r n SER 131 Ca 0.52 -0.83 -0.24 0.00 1.01 0.00 0.00 58.87 59.34 2k8r n SER 131 Cb 0.22 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 2k8r n SER 131 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k8r s SER 132 N -0.54 5.17 0.00 6.43 0.01 -1.26 -4.80 113.70 118.71 2k8r s SER 132 Ca 0.00 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2k8r s SER 132 Cb 0.00 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 65.01 2k8r s SER 132 CO 0.00 0.02 0.00 -0.67 0.41 0.00 0.00 173.24 173.00