#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 4.17 0.06 -3.48 0.00 -1.26 -4.26 119.74 114.97 2k8r s LYS 2 Ca 0.00 0.72 -0.28 0.00 0.00 0.00 0.00 55.97 56.41 2k8r s LYS 2 Cb 0.00 -3.63 0.09 0.00 0.00 0.00 0.00 37.83 34.29 2k8r s LYS 2 CO 0.00 -0.40 1.08 0.15 0.00 0.00 0.00 175.35 176.17 2k8r s LYS 3 N 2.46 0.84 -0.53 1.78 1.02 -1.26 -5.10 119.74 118.94 2k8r s LYS 3 Ca 0.30 -0.45 -0.27 0.00 0.02 0.00 0.00 55.97 55.58 2k8r s LYS 3 Cb -0.16 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2k8r s LYS 3 CO 0.09 -0.38 2.00 -2.14 -0.92 0.00 0.00 175.35 174.00 2k8r s PRO 4 N -2.93 2.60 0.32 -1.68 0.02 -1.26 -4.51 135.00 127.55 2k8r s PRO 4 Ca 0.12 0.96 0.07 0.00 0.02 0.00 0.00 61.00 62.17 2k8r s PRO 4 Cb 0.01 -4.41 -0.02 0.00 0.02 0.00 0.00 34.50 30.09 2k8r s PRO 4 CO -0.01 -2.74 0.35 0.21 -0.33 0.00 0.00 177.00 174.48 2k8r s LYS 5 N 7.15 2.94 0.06 5.54 2.20 0.30 -4.76 119.74 133.18 2k8r s LYS 5 Ca 0.78 -1.13 -0.08 0.00 -0.36 0.00 0.00 55.97 55.18 2k8r s LYS 5 Cb -0.16 -2.64 -0.00 0.00 -1.51 0.00 0.00 37.83 33.52 2k8r s LYS 5 CO 0.24 0.14 0.17 -0.48 -0.36 0.00 0.00 175.35 175.06 2k8r s LEU 6 N -4.04 1.49 -0.47 5.43 2.34 -1.26 -3.71 118.68 118.45 2k8r s LEU 6 Ca 0.41 -0.53 0.01 0.00 0.06 0.00 0.00 54.13 54.07 2k8r s LEU 6 Cb -0.08 0.92 0.12 0.00 -0.56 0.00 0.00 46.19 46.60 2k8r s LEU 6 CO 0.28 -0.63 0.24 -0.22 -1.06 0.00 0.00 176.35 174.96 2k8r s LEU 7 N -2.45 4.90 -0.01 1.48 2.96 -1.26 -1.74 118.68 122.56 2k8r s LEU 7 Ca -0.00 -2.50 -0.22 0.00 -0.22 0.00 0.00 54.13 51.18 2k8r s LEU 7 Cb 0.02 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 2k8r s LEU 7 CO -0.07 -0.38 0.64 -0.47 -1.32 0.00 0.00 176.35 174.75 2k8r s TYR 8 N 0.44 3.67 -0.14 5.38 6.14 0.10 -4.65 117.35 128.28 2k8r s TYR 8 Ca 0.13 1.25 0.02 0.00 0.64 0.00 0.00 57.07 59.11 2k8r s TYR 8 Cb -0.22 -2.69 0.01 0.00 0.42 0.00 0.00 41.96 39.49 2k8r s TYR 8 CO -0.04 0.28 -0.20 0.00 0.64 0.00 0.00 175.55 176.23 2k8r n SER 10 N 4.25 3.90 -0.26 0.00 2.88 -1.17 -4.38 113.62 118.85 2k8r n SER 10 Ca -0.20 -2.82 0.04 0.00 -1.33 0.00 0.00 58.87 54.56 2k8r n SER 10 Cb 0.51 -1.61 0.05 0.00 -0.75 0.00 0.00 64.21 62.41 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 8.10 1.00 0.00 -3.46 2.85 -1.26 -4.72 115.26 117.77 2k8r n ASN 11 Ca 0.50 -2.29 0.00 0.00 -0.11 0.00 0.00 54.58 52.68 2k8r n ASN 11 Cb 0.42 -0.25 0.00 0.00 1.24 0.00 0.00 39.78 41.20 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 -0.56 0.38 0.00 8.20 0.00 -1.26 -4.82 105.19 107.13 2k8r n GLY 12 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.42 0.00 3.39 -0.02 0.00 -1.26 -4.90 105.19 102.82 2k8r n GLY 13 Ca 0.00 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 43.93 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 1.98 -0.05 1.61 3.76 -1.26 -4.93 115.29 116.40 2k8r s HIS 14 Ca 0.00 -0.45 -0.02 0.00 -0.15 0.00 0.00 55.06 54.44 2k8r s HIS 14 Cb 0.00 -0.92 0.04 0.00 1.11 0.00 0.00 32.58 32.81 2k8r s HIS 14 CO 0.00 0.48 0.11 -0.06 -0.85 0.00 0.00 174.74 174.42 2k8r s PHE 15 N -2.47 -0.10 -0.07 1.40 0.40 0.28 0.61 117.98 118.03 2k8r s PHE 15 Ca 0.23 0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.96 2k8r s PHE 15 Cb -0.04 -0.19 0.02 0.00 0.51 0.00 0.00 43.02 43.32 2k8r s PHE 15 CO 0.10 -0.17 0.64 1.47 0.70 0.00 0.00 175.22 177.95 2k8r n LEU 16 N 4.50 -0.25 -4.18 -0.37 -0.00 -1.23 -4.44 117.00 111.04 2k8r n LEU 16 Ca -0.21 -1.19 -0.22 0.00 -0.00 0.00 0.00 56.01 54.39 2k8r n LEU 16 Cb 0.51 0.96 -0.14 0.00 -0.00 0.00 0.00 43.42 44.75 2k8r n LEU 16 CO 0.15 1.03 -0.48 -0.60 -0.00 0.00 0.00 177.39 177.49 2k8r s ARG 17 N 0.01 1.08 -0.11 1.47 3.52 -1.25 -3.33 118.95 120.33 2k8r s ARG 17 Ca 0.00 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 54.78 2k8r s ARG 17 Cb 0.02 -1.12 0.03 0.00 -1.56 0.00 0.00 34.95 32.32 2k8r s ARG 17 CO -0.01 0.28 -0.02 -1.50 -0.81 0.00 0.00 175.30 173.25 2k8r s ILE 18 N -0.82 0.63 -0.18 4.11 1.10 -1.26 -3.63 121.20 121.15 2k8r s ILE 18 Ca 0.04 -0.15 -0.24 0.00 -0.51 0.00 0.00 60.65 59.79 2k8r s ILE 18 Cb -0.08 -0.80 -0.02 0.00 0.15 0.00 0.00 42.46 41.71 2k8r s ILE 18 CO 0.01 0.21 0.76 -0.76 -2.11 0.00 0.00 174.94 173.05 2k8r s LEU 19 N 1.86 4.16 0.36 8.50 2.01 0.35 -4.93 118.68 131.00 2k8r s LEU 19 Ca 0.04 1.05 0.17 0.00 0.01 0.00 0.00 54.13 55.39 2k8r s LEU 19 Cb -0.13 -3.10 1.13 0.00 0.01 0.00 0.00 46.19 44.09 2k8r s LEU 19 CO -0.07 -0.35 1.68 1.55 1.01 0.00 0.00 176.35 180.17 2k8r h PRO 20 N 7.38 0.31 -0.35 1.29 0.13 -1.89 0.94 132.00 139.81 2k8r h PRO 20 Ca -0.30 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 64.91 2k8r h PRO 20 Cb 1.14 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2k8r h PRO 20 CO 0.81 0.20 0.36 -0.44 -0.23 0.00 0.00 178.00 178.71 2k8r h ASP 21 N 0.32 0.00 0.00 1.44 5.19 -1.94 -3.34 116.42 118.08 2k8r h ASP 21 Ca 0.72 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.13 2k8r h ASP 21 Cb 1.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.26 2k8r h ASP 21 CO -0.53 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.20 2k8r n GLY 22 N -1.48 0.59 3.34 2.75 0.00 0.32 -4.84 105.19 105.86 2k8r n GLY 22 Ca 0.06 -0.81 -0.12 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 -0.81 0.05 0.00 2.61 2.01 -0.88 -4.61 115.64 114.01 2k8r s THR 23 Ca 0.00 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.58 2k8r s THR 23 Cb 0.00 -1.04 -0.00 0.00 0.01 0.00 0.00 72.50 71.46 2k8r s THR 23 CO 0.00 -0.24 -0.04 0.54 -0.69 0.00 0.00 174.62 174.19 2k8r s VAL 24 N -3.04 0.28 0.16 3.82 0.11 -1.26 0.13 120.40 120.60 2k8r s VAL 24 Ca -0.02 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 2k8r s VAL 24 Cb 0.00 -0.26 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 2k8r s VAL 24 CO -0.06 0.02 0.22 -0.90 -3.33 0.00 0.00 175.10 171.04 2k8r n ASP 25 N 2.83 -0.61 -4.73 3.54 5.75 -1.24 -3.71 116.55 118.38 2k8r n ASP 25 Ca -0.14 -1.88 -0.37 0.00 -0.01 0.00 0.00 54.79 52.40 2k8r n ASP 25 Cb 0.58 1.14 0.06 0.00 -1.03 0.00 0.00 41.12 41.88 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 -2.00 2.86 -0.23 6.12 0.00 -1.11 -3.85 107.32 109.11 2k8r s GLY 26 Ca 0.14 1.22 -0.29 0.00 0.00 0.00 0.00 44.72 45.78 2k8r s GLY 26 CO 0.10 1.65 1.17 -0.51 0.00 0.00 0.00 173.10 175.52 2k8r s THR 27 N -1.39 0.00 -0.02 0.90 -4.23 0.20 -4.70 115.64 106.39 2k8r s THR 27 Ca 0.81 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.38 2k8r s THR 27 Cb -0.38 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.45 2k8r s THR 27 CO 0.40 0.00 -0.19 0.00 -0.54 0.00 0.00 174.62 174.29 2k8r s ARG 28 N -0.92 1.63 0.07 3.99 1.70 -1.26 -0.56 118.95 123.60 2k8r s ARG 28 Ca 0.03 -0.67 -0.27 0.00 -0.47 0.00 0.00 55.73 54.35 2k8r s ARG 28 Cb -0.01 -1.52 0.09 0.00 -0.57 0.00 0.00 34.95 32.93 2k8r s ARG 28 CO -0.04 0.37 1.06 0.34 -1.08 0.00 0.00 175.30 175.95 2k8r s ASP 29 N -0.31 -0.16 -1.04 -2.89 -1.08 -1.26 -5.04 116.67 104.89 2k8r s ASP 29 Ca 0.04 -0.27 -0.17 0.00 -0.52 0.00 0.00 52.55 51.63 2k8r s ASP 29 Cb -0.09 0.37 0.14 0.00 -1.46 0.00 0.00 42.92 41.88 2k8r s ASP 29 CO 0.00 -0.67 1.27 -0.60 0.52 0.00 0.00 175.17 175.69 2k8r s ARG 30 N -2.98 3.77 -0.93 4.34 6.06 -1.26 -4.49 118.95 123.46 2k8r s ARG 30 Ca 0.12 -2.01 -0.08 0.00 -2.50 0.00 0.00 55.73 51.26 2k8r s ARG 30 Cb 0.00 -5.01 -0.01 0.00 0.06 0.00 0.00 34.95 29.99 2k8r s ARG 30 CO -0.01 -1.81 0.74 0.43 -2.50 0.00 0.00 175.30 172.15 2k8r n SER 31 N 6.44 -6.21 -1.58 -2.12 7.64 -1.26 -4.99 113.62 111.54 2k8r n SER 31 Ca 0.29 -0.66 -0.03 0.00 1.01 0.00 0.00 58.87 59.48 2k8r n SER 31 Cb 0.47 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 59.81 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 -2.42 -0.63 0.00 6.43 -0.08 -1.26 -4.70 116.55 113.88 2k8r n ASP 32 Ca -0.11 -1.53 0.00 0.00 -1.51 0.00 0.00 54.79 51.64 2k8r n ASP 32 Cb 0.59 1.08 0.00 0.00 2.34 0.00 0.00 41.12 45.13 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 -0.17 0.00 -0.17 -0.67 7.27 -1.26 -4.73 117.38 117.64 2k8r n GLN 33 Ca -0.02 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.09 2k8r n GLN 33 Cb 0.19 0.00 0.32 0.00 2.41 0.00 0.00 30.24 33.15 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 0.80 0.00 3.69 6.17 -1.91 -3.41 115.15 120.49 2k8r h HIS 34 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 2k8r h HIS 34 Cb 0.00 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 29.66 2k8r h HIS 34 CO 0.00 0.47 0.00 -0.89 0.71 0.00 0.00 177.93 178.22 2k8r n ILE 35 N -4.46 0.00 -3.15 6.26 5.41 -1.26 -5.09 119.36 117.08 2k8r n ILE 35 Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.90 2k8r n ILE 35 Cb 0.13 -0.05 -0.02 0.00 -0.71 0.00 0.00 39.64 38.99 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 -1.21 0.00 -0.10 0.38 0.74 -1.26 -4.92 119.66 113.29 2k8r s GLN 36 Ca 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 55.36 55.24 2k8r s GLN 36 Cb 0.00 0.00 -0.04 0.00 1.10 0.00 0.00 33.01 34.07 2k8r s GLN 36 CO 0.00 -0.00 0.46 -1.17 -0.55 0.00 0.00 175.29 174.03 2k8r s LEU 37 N 3.00 4.30 0.09 3.68 0.20 -1.24 0.18 118.68 128.88 2k8r s LEU 37 Ca -0.09 0.83 0.08 0.00 0.69 0.00 0.00 54.13 55.63 2k8r s LEU 37 Cb -0.08 -2.67 -0.03 0.00 -0.43 0.00 0.00 46.19 42.98 2k8r s LEU 37 CO -0.07 0.04 -0.21 -1.10 -0.29 0.00 0.00 176.35 174.73 2k8r s GLN 38 N 0.41 1.18 -0.28 1.98 -0.21 0.52 0.11 119.66 123.36 2k8r s GLN 38 Ca 0.25 -1.10 0.01 0.00 0.02 0.00 0.00 55.36 54.54 2k8r s GLN 38 Cb -0.15 -1.40 0.15 0.00 1.00 0.00 0.00 33.01 32.61 2k8r s GLN 38 CO 0.10 0.33 0.40 -1.17 -2.12 0.00 0.00 175.29 172.84 2k8r s LEU 39 N -1.73 -0.74 0.00 2.90 0.20 -1.26 0.16 118.68 118.21 2k8r s LEU 39 Ca 0.06 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 54.63 2k8r s LEU 39 Cb -0.10 1.10 0.00 0.00 -0.43 0.00 0.00 46.19 46.76 2k8r s LEU 39 CO 0.04 -0.34 0.00 -1.20 -0.29 0.00 0.00 176.35 174.55 2k8r n SER 40 N 5.36 0.00 -0.39 3.68 7.64 -0.58 -4.21 113.62 125.12 2k8r n SER 40 Ca -0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2k8r n SER 40 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.09 -2.32 -0.43 0.00 -1.26 -3.77 120.51 112.64 2k8r n ALA 41 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 2k8r n ALA 41 Cb 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 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 -4.27 1.55 0.98 0.00 0.41 -1.26 -4.85 118.70 111.26 2k8r s GLU 42 Ca 0.01 -1.83 -0.16 0.00 -0.41 0.00 0.00 54.97 52.58 2k8r s GLU 42 Cb -0.00 0.32 0.20 0.00 -1.78 0.00 0.00 34.13 32.86 2k8r s GLU 42 CO 0.01 -0.56 1.27 -1.54 -0.49 0.00 0.00 175.26 173.95 2k8r s SER 43 N -3.27 2.96 0.25 -0.19 1.04 -1.21 -4.92 113.70 108.35 2k8r s SER 43 Ca 0.39 0.40 -0.31 0.00 0.48 0.00 0.00 55.95 56.91 2k8r s SER 43 Cb 0.04 -0.54 -0.13 0.00 0.10 0.00 0.00 66.02 65.49 2k8r s SER 43 CO 0.21 -2.84 1.52 0.55 0.98 0.00 0.00 173.24 173.66 2k8r n VAL 44 N -3.86 0.77 0.00 5.02 3.14 -1.26 -3.07 118.33 119.06 2k8r n VAL 44 Ca 0.14 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2k8r n VAL 44 Cb 0.60 -1.70 0.00 0.00 -1.06 0.00 0.00 33.84 31.68 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 2.47 2.02 3.70 7.55 0.00 -1.26 -4.93 105.19 114.73 2k8r n GLY 45 Ca 0.12 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 4.30 0.06 1.61 2.02 -1.18 0.12 118.70 125.63 2k8r s GLU 46 Ca 0.00 1.99 0.03 0.00 0.02 0.00 0.00 54.97 57.01 2k8r s GLU 46 Cb 0.00 -3.48 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 2k8r s GLU 46 CO 0.00 -0.53 -0.10 0.14 0.02 0.00 0.00 175.26 174.79 2k8r s VAL 47 N 2.02 0.78 -0.24 2.63 -7.23 0.46 -3.33 120.40 115.48 2k8r s VAL 47 Ca 0.64 -1.23 -0.06 0.00 -1.81 0.00 0.00 61.98 59.52 2k8r s VAL 47 Cb -0.33 -0.87 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 2k8r s VAL 47 CO 0.28 -0.36 0.04 -0.47 -0.31 0.00 0.00 175.10 174.28 2k8r s TYR 48 N -1.50 3.05 -0.07 2.82 5.04 -1.25 -1.11 117.35 124.33 2k8r s TYR 48 Ca -0.05 -0.60 -0.12 0.00 -2.44 0.00 0.00 57.07 53.86 2k8r s TYR 48 Cb -0.09 -2.20 -0.05 0.00 0.35 0.00 0.00 41.96 39.97 2k8r s TYR 48 CO 0.01 -0.43 0.29 0.42 -1.34 0.00 0.00 175.55 174.50 2k8r s ILE 49 N 1.57 5.26 -0.08 3.14 1.01 -1.24 -1.52 121.20 129.33 2k8r s ILE 49 Ca 0.06 0.55 -0.02 0.00 0.00 0.00 0.00 60.65 61.24 2k8r s ILE 49 Cb -0.15 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.78 2k8r s ILE 49 CO 0.01 0.57 0.04 -0.75 0.00 0.00 0.00 174.94 174.81 2k8r s LYS 50 N -0.82 0.21 -0.40 2.79 2.47 0.42 -4.36 119.74 120.06 2k8r s LYS 50 Ca 0.19 0.18 -0.16 0.00 -1.56 0.00 0.00 55.97 54.63 2k8r s LYS 50 Cb -0.14 -0.92 0.01 0.00 -1.46 0.00 0.00 37.83 35.32 2k8r s LYS 50 CO 0.08 -0.38 0.37 -1.12 0.16 0.00 0.00 175.35 174.46 2k8r s SER 51 N 2.08 6.16 0.00 1.43 0.01 -1.26 0.19 113.70 122.31 2k8r s SER 51 Ca 0.04 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2k8r s SER 51 Cb -0.13 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2k8r s SER 51 CO -0.05 -0.49 0.00 0.41 0.41 0.00 0.00 173.24 173.53 2k8r n THR 52 N 5.30 -0.99 -0.24 1.44 -1.04 0.47 -3.30 114.28 115.92 2k8r n THR 52 Ca -0.09 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.93 2k8r n THR 52 Cb 0.48 -0.90 0.09 0.00 -1.82 0.00 0.00 70.33 68.18 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 0.02 -2.40 -2.82 4.57 -1.90 -3.40 114.58 108.66 2k8r h GLU 53 Ca 0.00 -0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 2k8r h GLU 53 Cb 0.00 -0.01 -0.31 0.00 -0.16 0.00 0.00 28.75 28.27 2k8r h GLU 53 CO 0.00 0.02 -0.49 0.95 -1.18 0.00 0.00 179.01 178.30 2k8r s THR 54 N -6.21 -0.51 0.00 0.32 -4.23 -1.26 -4.94 115.64 98.80 2k8r s THR 54 Ca -0.14 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 2k8r s THR 54 Cb 0.21 -0.66 0.00 0.00 1.34 0.00 0.00 72.50 73.39 2k8r s THR 54 CO 0.74 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 2k8r n GLY 55 N 5.36 2.69 3.51 3.99 0.00 -1.26 -5.14 105.19 114.34 2k8r n GLY 55 Ca -0.06 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 1.75 -0.23 1.61 -1.52 -1.21 -4.50 119.66 115.57 2k8r s GLN 56 Ca 0.00 -1.92 -0.03 0.00 -1.95 0.00 0.00 55.36 51.46 2k8r s GLN 56 Cb 0.00 -1.47 0.12 0.00 -0.22 0.00 0.00 33.01 31.44 2k8r s GLN 56 CO 0.00 0.06 0.33 -0.47 -0.25 0.00 0.00 175.29 174.96 2k8r s TYR 57 N -2.79 -0.65 -0.24 0.91 6.14 0.29 -4.49 117.35 116.51 2k8r s TYR 57 Ca 0.32 0.65 -0.29 0.00 0.64 0.00 0.00 57.07 58.39 2k8r s TYR 57 Cb 0.04 -0.10 -0.01 0.00 0.42 0.00 0.00 41.96 42.32 2k8r s TYR 57 CO 0.15 -0.68 1.34 -1.17 0.64 0.00 0.00 175.55 175.84 2k8r s LEU 58 N 2.48 3.98 0.00 6.97 1.98 -1.26 -2.36 118.68 130.47 2k8r s LEU 58 Ca 0.11 1.43 -0.02 0.00 -2.89 0.00 0.00 54.13 52.76 2k8r s LEU 58 Cb -0.15 -3.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.15 2k8r s LEU 58 CO -0.14 -1.01 0.02 0.00 -1.89 0.00 0.00 176.35 173.33 2k8r s ALA 59 N 4.22 -0.03 -0.26 5.97 0.00 0.26 -4.36 121.76 127.57 2k8r s ALA 59 Ca 0.58 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 2k8r s ALA 59 Cb -0.20 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2k8r s ALA 59 CO 0.22 -0.11 0.16 0.00 0.00 0.00 0.00 175.76 176.03 2k8r s MET 60 N -0.89 4.00 0.33 0.00 0.23 -1.24 0.33 119.30 122.05 2k8r s MET 60 Ca -0.10 -0.30 -0.28 0.00 -1.03 0.00 0.00 55.69 53.98 2k8r s MET 60 Cb -0.06 -3.57 -0.10 0.00 -1.53 0.00 0.00 34.83 29.58 2k8r s MET 60 CO -0.00 -0.04 1.20 0.34 -2.03 0.00 0.00 175.02 174.48 2k8r s ASP 61 N 1.36 6.91 0.32 -1.18 -1.08 0.54 -4.82 116.67 118.71 2k8r s ASP 61 Ca 0.07 2.46 0.09 0.00 -0.52 0.00 0.00 52.55 54.65 2k8r s ASP 61 Cb -0.15 -2.63 0.90 0.00 -1.46 0.00 0.00 42.92 39.58 2k8r s ASP 61 CO 0.07 -0.42 1.70 0.00 0.52 0.00 0.00 175.17 177.05 2k8r h THR 62 N 2.90 0.46 0.00 1.71 1.03 -1.98 0.49 112.91 117.53 2k8r h THR 62 Ca -0.48 -0.16 -0.03 0.00 -0.01 0.00 0.00 66.41 65.73 2k8r h THR 62 Cb 1.22 -0.06 -0.00 0.00 -1.07 0.00 0.00 68.15 68.24 2k8r h THR 62 CO 0.65 0.09 -0.14 -0.78 -0.01 0.00 0.00 175.52 175.33 2k8r h ASP 63 N 0.47 0.00 0.00 0.00 3.58 -2.02 -3.46 116.42 115.00 2k8r h ASP 63 Ca 0.65 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.10 2k8r h ASP 63 Cb 1.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.36 2k8r h ASP 63 CO -0.52 0.14 0.00 0.61 -2.88 0.00 0.00 179.24 176.59 2k8r n GLY 64 N -0.60 0.99 2.98 -0.78 0.00 0.17 -3.71 105.19 104.25 2k8r n GLY 64 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 1.52 -0.23 0.99 1.98 -1.14 -2.83 118.68 118.97 2k8r s LEU 65 Ca 0.00 -0.42 -0.20 0.00 -2.89 0.00 0.00 54.13 50.62 2k8r s LEU 65 Cb 0.00 -1.06 -0.02 0.00 0.66 0.00 0.00 46.19 45.77 2k8r s LEU 65 CO 0.00 -0.07 0.62 -0.76 -1.89 0.00 0.00 176.35 174.25 2k8r s LEU 66 N 1.51 4.10 0.24 -0.68 1.02 -1.26 0.20 118.68 123.81 2k8r s LEU 66 Ca 0.04 0.75 0.06 0.00 0.02 0.00 0.00 54.13 55.00 2k8r s LEU 66 Cb -0.13 -2.85 -0.05 0.00 0.02 0.00 0.00 46.19 43.17 2k8r s LEU 66 CO -0.09 -0.32 -0.08 -0.72 0.02 0.00 0.00 176.35 175.17 2k8r s TYR 67 N 2.21 1.78 -0.17 0.29 1.13 0.15 -4.50 117.35 118.24 2k8r s TYR 67 Ca 0.27 -0.70 0.16 0.00 -1.41 0.00 0.00 57.07 55.39 2k8r s TYR 67 Cb -0.16 -0.96 0.41 0.00 -1.10 0.00 0.00 41.96 40.15 2k8r s TYR 67 CO 0.09 0.24 1.28 0.41 -2.51 0.00 0.00 175.55 175.07 2k8r n GLY 68 N -0.48 4.62 3.74 5.49 0.00 -1.24 0.93 105.19 118.25 2k8r n GLY 68 Ca -0.06 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.55 7.20 -0.54 1.61 0.01 -1.00 0.11 113.70 118.54 2k8r s SER 69 Ca 0.37 2.13 -0.27 0.00 1.31 0.00 0.00 55.95 59.49 2k8r s SER 69 Cb 0.32 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.86 2k8r s SER 69 CO 0.04 -0.28 2.44 1.67 0.41 0.00 0.00 173.24 177.51 2k8r n GLN 70 N 2.49 0.95 -3.06 12.44 0.00 -1.26 -4.04 117.38 124.90 2k8r n GLN 70 Ca 0.03 0.04 -0.04 0.00 -0.00 0.00 0.00 57.00 57.03 2k8r n GLN 70 Cb 0.46 -3.12 -0.01 0.00 0.00 0.00 0.00 30.24 27.56 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 11.36 -0.85 -0.22 1.69 2.01 -1.26 -4.97 115.64 123.40 2k8r s THR 71 Ca 1.04 -0.65 -0.36 0.00 0.31 0.00 0.00 61.69 62.03 2k8r s THR 71 Cb -0.36 -0.14 -0.13 0.00 0.01 0.00 0.00 72.50 71.88 2k8r s THR 71 CO 0.31 -0.13 1.92 -0.81 -0.69 0.00 0.00 174.62 175.22 2k8r n PRO 72 N 3.73 1.58 -3.45 4.92 -0.04 -1.26 -4.93 135.00 135.55 2k8r n PRO 72 Ca 0.15 0.55 -0.12 0.00 -0.04 0.00 0.00 63.50 64.04 2k8r n PRO 72 Cb 0.55 -2.44 -0.02 0.00 -0.04 0.00 0.00 33.50 31.54 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 4.78 -0.53 0.56 3.54 2.47 -1.26 -5.03 114.94 119.46 2k8r s ASN 73 Ca 0.99 0.08 0.27 0.00 0.42 0.00 0.00 52.86 54.62 2k8r s ASN 73 Cb -0.85 0.55 1.47 0.00 -1.45 0.00 0.00 41.25 40.97 2k8r s ASN 73 CO 0.55 -0.85 1.99 -0.33 -3.72 0.00 0.00 177.10 174.74 2k8r h GLU 74 N 2.11 0.00 -0.04 0.43 5.08 -2.00 -1.71 114.58 118.45 2k8r h GLU 74 Ca -0.31 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2k8r h GLU 74 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 2k8r h GLU 74 CO 0.37 0.00 0.42 0.93 -1.00 0.00 0.00 179.01 179.73 2k8r h GLU 75 N 0.00 0.00 0.00 2.33 4.39 -1.95 0.97 114.58 120.32 2k8r h GLU 75 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2k8r h GLU 75 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2k8r h GLU 75 CO -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 2k8r s LEU 77 N -4.28 4.11 0.34 0.00 2.01 0.33 -3.71 118.68 117.48 2k8r s LEU 77 Ca 0.06 0.09 0.09 0.00 0.01 0.00 0.00 54.13 54.37 2k8r s LEU 77 Cb 0.10 -3.09 -0.07 0.00 0.01 0.00 0.00 46.19 43.14 2k8r s LEU 77 CO 0.41 -0.95 -0.07 -0.36 1.01 0.00 0.00 176.35 176.38 2k8r s PHE 78 N 3.49 2.32 -0.26 0.29 0.08 -0.27 -1.34 117.98 122.29 2k8r s PHE 78 Ca 0.34 -0.57 -0.07 0.00 0.12 0.00 0.00 56.93 56.75 2k8r s PHE 78 Cb -0.11 -1.38 -0.01 0.00 -0.57 0.00 0.00 43.02 40.95 2k8r s PHE 78 CO 0.23 0.50 0.07 -1.17 -0.10 0.00 0.00 175.22 174.75 2k8r s LEU 79 N -3.59 3.55 -0.32 -0.37 1.98 0.44 0.17 118.68 120.54 2k8r s LEU 79 Ca 0.32 -0.41 -0.14 0.00 -2.89 0.00 0.00 54.13 51.02 2k8r s LEU 79 Cb 0.04 -1.89 -0.02 0.00 0.66 0.00 0.00 46.19 44.97 2k8r s LEU 79 CO 0.16 -0.09 0.29 -0.70 -1.89 0.00 0.00 176.35 174.11 2k8r s GLU 80 N 1.56 3.64 -0.31 1.98 2.12 0.31 -1.62 118.70 126.38 2k8r s GLU 80 Ca 0.05 -0.44 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 2k8r s GLU 80 Cb -0.16 -3.77 0.07 0.00 0.26 0.00 0.00 34.13 30.53 2k8r s GLU 80 CO 0.03 -0.41 0.02 0.50 -0.54 0.00 0.00 175.26 174.85 2k8r s ARG 81 N 1.87 2.23 -0.33 4.30 3.52 0.21 -4.38 118.95 126.37 2k8r s ARG 81 Ca 0.09 -1.43 -0.14 0.00 -0.13 0.00 0.00 55.73 54.12 2k8r s ARG 81 Cb -0.17 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 2k8r s ARG 81 CO 0.11 -0.72 0.32 -1.17 -0.81 0.00 0.00 175.30 173.03 2k8r s LEU 82 N 1.17 4.41 0.06 -0.88 2.96 -1.26 0.14 118.68 125.29 2k8r s LEU 82 Ca -0.02 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 2k8r s LEU 82 Cb -0.20 -2.27 -0.24 0.00 0.50 0.00 0.00 46.19 43.98 2k8r s LEU 82 CO -0.03 -0.28 1.05 -0.08 -1.32 0.00 0.00 176.35 175.69 2k8r h GLU 83 N 8.45 0.08 0.00 1.98 4.81 -1.91 -3.48 114.58 124.51 2k8r h GLU 83 Ca -0.31 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2k8r h GLU 83 Cb 1.15 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2k8r h GLU 83 CO 0.66 0.95 0.00 -0.85 -0.73 0.00 0.00 179.01 179.04 2k8r n GLU 84 N -3.33 0.00 -0.67 1.92 0.28 -1.23 -4.96 120.64 112.66 2k8r n GLU 84 Ca -0.08 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.72 2k8r n GLU 84 Cb 0.99 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.85 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 0.00 4.28 -2.22 -1.84 5.15 -1.26 -4.44 115.26 114.93 2k8r n ASN 85 Ca 0.00 -2.30 -0.07 0.00 -0.60 0.00 0.00 54.58 51.61 2k8r n ASN 85 Cb 0.00 -1.03 -0.01 0.00 -0.53 0.00 0.00 39.78 38.21 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 4.43 -1.49 -3.52 1.20 1.44 -1.26 -4.86 115.22 111.16 2k8r n HIS 86 Ca 0.40 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 56.02 2k8r n HIS 86 Cb 0.13 -1.93 -0.02 0.00 0.12 0.00 0.00 29.99 28.28 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 -2.19 -0.36 0.29 -1.40 -0.85 -1.26 -4.66 117.35 106.92 2k8r s TYR 87 Ca 0.00 0.18 0.04 0.00 -0.52 0.00 0.00 57.07 56.77 2k8r s TYR 87 Cb 0.00 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.87 2k8r s TYR 87 CO 0.00 -0.65 0.25 0.54 -1.52 0.00 0.00 175.55 174.17 2k8r s ASN 88 N -2.60 1.18 -0.01 -0.18 2.20 0.22 -2.98 114.94 112.77 2k8r s ASN 88 Ca 0.05 -1.63 0.04 0.00 -0.94 0.00 0.00 52.86 50.38 2k8r s ASN 88 Cb -0.01 0.51 -0.01 0.00 -2.00 0.00 0.00 41.25 39.74 2k8r s ASN 88 CO -0.08 -1.02 -0.13 -0.89 -2.94 0.00 0.00 177.10 172.04 2k8r s THR 89 N -3.63 1.05 -0.04 0.54 2.01 0.37 -3.53 115.64 112.41 2k8r s THR 89 Ca 0.39 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.85 2k8r s THR 89 Cb 0.03 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.66 2k8r s THR 89 CO 0.23 0.27 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.91 2k8r s TYR 90 N -0.35 1.96 0.06 4.92 2.02 -1.26 0.66 117.35 125.35 2k8r s TYR 90 Ca 0.05 -0.52 -0.07 0.00 -0.37 0.00 0.00 57.07 56.16 2k8r s TYR 90 Cb -0.05 -1.29 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 2k8r s TYR 90 CO -0.00 -0.15 0.13 0.96 -1.57 0.00 0.00 175.55 174.91 2k8r s ILE 91 N -0.15 0.15 0.07 2.71 -4.36 -0.64 -3.76 121.20 115.22 2k8r s ILE 91 Ca -0.01 -1.22 -0.31 0.00 -0.26 0.00 0.00 60.65 58.86 2k8r s ILE 91 Cb -0.11 -1.17 -0.07 0.00 1.25 0.00 0.00 42.46 42.36 2k8r s ILE 91 CO 0.02 -0.67 1.35 -0.44 0.24 0.00 0.00 174.94 175.44 2k8r s SER 92 N -2.53 6.89 -0.04 4.36 0.01 -1.26 0.17 113.70 121.29 2k8r s SER 92 Ca 0.01 2.20 -0.16 0.00 1.31 0.00 0.00 55.95 59.31 2k8r s SER 92 Cb 0.03 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 2k8r s SER 92 CO -0.08 -0.63 0.67 0.50 0.41 0.00 0.00 173.24 174.11 2k8r h LYS 93 N 7.07 -0.48 0.00 12.44 3.11 -1.48 -3.28 116.57 133.95 2k8r h LYS 93 Ca -0.41 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.45 2k8r h LYS 93 Cb 1.20 0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 32.54 2k8r h LYS 93 CO 0.86 -0.27 -0.07 -0.22 -2.81 0.00 0.00 179.45 176.95 2k8r h LYS 94 N -1.10 0.00 -1.55 1.90 3.64 -1.87 -2.91 116.57 114.69 2k8r h LYS 94 Ca -0.05 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.61 2k8r h LYS 94 Cb 0.43 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 31.96 2k8r h LYS 94 CO 0.08 0.07 0.80 0.72 -2.27 0.00 0.00 179.45 178.85 2k8r n HIS 95 N -3.51 3.09 -0.21 1.91 8.25 -1.24 -4.72 115.22 118.80 2k8r n HIS 95 Ca -0.02 -2.63 0.17 0.00 -0.26 0.00 0.00 57.72 54.99 2k8r n HIS 95 Cb 0.19 -1.18 0.51 0.00 1.12 0.00 0.00 29.99 30.63 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 2.57 2.16 0.00 -1.41 0.00 -1.58 0.22 119.26 121.23 2k8r h ALA 96 Ca 0.56 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 2k8r h ALA 96 Cb 0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k8r h ALA 96 CO 1.43 -0.41 -0.12 0.93 0.00 0.00 0.00 179.25 181.08 2k8r h GLU 97 N 0.41 0.00 -1.47 0.00 4.39 -1.90 -3.25 114.58 112.77 2k8r h GLU 97 Ca 0.43 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.60 2k8r h GLU 97 Cb 1.03 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.26 2k8r h GLU 97 CO -0.15 0.12 -0.87 1.63 -1.16 0.00 0.00 179.01 178.58 2k8r n LYS 98 N -3.22 2.68 -2.06 2.33 5.02 0.71 -5.04 118.16 118.58 2k8r n LYS 98 Ca 0.01 -4.15 -0.39 0.00 -2.02 0.00 0.00 58.31 51.76 2k8r n LYS 98 Cb 0.42 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 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 -3.37 5.37 -0.13 4.39 4.22 -0.85 -4.87 114.94 119.70 2k8r s ASN 99 Ca 0.42 0.40 0.00 0.00 -2.14 0.00 0.00 52.86 51.55 2k8r s ASN 99 Cb 0.40 -2.53 -0.01 0.00 1.28 0.00 0.00 41.25 40.39 2k8r s ASN 99 CO -0.12 -2.29 -0.14 0.26 -2.04 0.00 0.00 177.10 172.77 2k8r s TRP 100 N 8.71 2.78 0.27 1.54 0.52 -1.26 -4.99 118.94 126.52 2k8r s TRP 100 Ca 0.67 -0.77 -0.30 0.00 0.02 0.00 0.00 56.10 55.72 2k8r s TRP 100 Cb -0.13 -1.84 -0.11 0.00 -1.15 0.00 0.00 33.47 30.24 2k8r s TRP 100 CO 0.22 -0.29 1.52 -0.06 0.02 0.00 0.00 176.95 178.35 2k8r s PHE 101 N 0.47 2.88 0.00 -1.98 0.08 -1.26 -4.58 117.98 113.59 2k8r s PHE 101 Ca -0.10 0.91 0.00 0.00 0.12 0.00 0.00 56.93 57.86 2k8r s PHE 101 Cb -0.16 -3.95 0.00 0.00 -0.57 0.00 0.00 43.02 38.34 2k8r s PHE 101 CO 0.05 -3.13 0.00 1.33 -0.10 0.00 0.00 175.22 173.37 2k8r n VAL 102 N 2.21 0.00 0.00 -0.44 0.24 -1.25 -4.60 118.33 114.49 2k8r n VAL 102 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 2k8r n VAL 102 Cb 0.39 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 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 2.63 3.70 3.43 7.63 0.00 -1.26 -4.61 105.19 116.71 2k8r n GLY 103 Ca 0.00 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 2.52 -0.07 0.99 2.34 -1.26 0.12 118.68 123.31 2k8r s LEU 104 Ca 0.00 -0.46 -0.14 0.00 0.06 0.00 0.00 54.13 53.59 2k8r s LEU 104 Cb 0.00 -1.47 -0.05 0.00 -0.56 0.00 0.00 46.19 44.11 2k8r s LEU 104 CO 0.00 0.26 0.36 -0.75 -1.06 0.00 0.00 176.35 175.15 2k8r s LYS 105 N -1.41 4.01 0.42 1.48 2.47 0.33 -4.93 119.74 122.11 2k8r s LYS 105 Ca 0.14 0.28 0.26 0.00 -1.56 0.00 0.00 55.97 55.09 2k8r s LYS 105 Cb -0.10 -3.30 1.32 0.00 -1.46 0.00 0.00 37.83 34.29 2k8r s LYS 105 CO 0.05 0.51 1.67 1.57 0.16 0.00 0.00 175.35 179.31 2k8r h LYS 106 N 5.52 0.17 0.00 4.03 2.10 -1.88 1.01 116.57 127.53 2k8r h LYS 106 Ca -0.48 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2k8r h LYS 106 Cb 1.20 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2k8r h LYS 106 CO 0.67 0.11 0.00 -0.97 -2.00 0.00 0.00 179.45 177.26 2k8r h ASN 107 N 0.18 0.00 -0.08 7.07 -0.73 -1.93 -2.94 115.58 117.14 2k8r h ASN 107 Ca 0.75 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.92 2k8r h ASN 107 Cb 2.23 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.82 2k8r h ASN 107 CO -0.39 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.28 2k8r n GLY 108 N -1.23 0.62 3.31 1.57 0.00 0.35 -4.95 105.19 104.85 2k8r n GLY 108 Ca -0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.35 -0.35 0.46 1.61 0.01 -1.01 -4.81 113.70 108.25 2k8r s SER 109 Ca 0.00 1.05 -0.20 0.00 1.31 0.00 0.00 55.95 58.11 2k8r s SER 109 Cb 0.00 1.46 -0.10 0.00 0.21 0.00 0.00 66.02 67.59 2k8r s SER 109 CO 0.00 -0.23 0.96 0.00 0.41 0.00 0.00 173.24 174.38 2k8r s LYS 111 N -3.44 1.04 0.00 0.00 -0.14 0.32 -4.87 119.74 112.64 2k8r s LYS 111 Ca 0.61 -1.84 0.00 0.00 -1.36 0.00 0.00 55.97 53.39 2k8r s LYS 111 Cb -0.10 -1.91 0.00 0.00 -1.68 0.00 0.00 37.83 34.14 2k8r s LYS 111 CO 0.19 -1.21 0.00 -2.13 -0.76 0.00 0.00 175.35 171.44 2k8r n ARG 112 N 3.57 0.00 0.02 1.68 0.00 -1.21 -4.22 116.66 116.49 2k8r n ARG 112 Ca 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.94 2k8r n ARG 112 Cb 0.37 -0.81 -0.02 0.00 0.00 0.00 0.00 32.46 32.00 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 -0.17 -0.73 5.14 0.00 -1.60 -3.38 103.07 102.32 2k8r h GLY 113 Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 47.33 47.53 2k8r h GLY 113 CO 0.00 -0.06 -0.33 -2.55 0.00 0.00 0.00 176.54 173.60 2k8r h PRO 114 N -1.03 -0.06 0.00 4.80 0.11 -1.89 -3.45 132.00 130.49 2k8r h PRO 114 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2k8r h PRO 114 Cb 0.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2k8r h PRO 114 CO 0.03 -0.04 0.00 -2.13 -0.21 0.00 0.00 178.00 175.65 2k8r n ARG 115 N -5.48 0.00 -3.57 1.05 0.63 -1.26 -5.16 116.66 102.87 2k8r n ARG 115 Ca 0.09 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.84 2k8r n ARG 115 Cb 0.39 0.00 -0.14 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 -0.62 -0.32 0.00 5.15 -1.32 -1.26 -4.64 115.64 112.62 2k8r s THR 116 Ca 0.00 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 2k8r s THR 116 Cb 0.00 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.45 2k8r s THR 116 CO 0.00 -0.06 0.00 1.41 -2.21 0.00 0.00 174.62 173.76 2k8r n HIS 117 N 5.33 0.00 -2.80 9.09 -0.00 -1.26 -4.67 115.22 120.90 2k8r n HIS 117 Ca -0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.28 2k8r n HIS 117 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.42 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 3.83 0.00 4.41 2.02 -1.26 -4.74 117.35 121.61 2k8r s TYR 118 Ca 0.00 1.81 0.00 0.00 -0.37 0.00 0.00 57.07 58.51 2k8r s TYR 118 Cb 0.00 -2.92 0.00 0.00 -0.40 0.00 0.00 41.96 38.64 2k8r s TYR 118 CO 0.00 0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.74 2k8r n GLY 119 N 1.04 0.25 0.34 0.71 0.00 -1.26 -4.50 105.19 101.77 2k8r n GLY 119 Ca -0.01 -1.27 0.27 0.00 0.00 0.00 0.00 46.02 45.02 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 0.20 -0.86 1.61 1.08 -1.92 0.48 115.11 115.70 2k8r h GLN 120 Ca 0.00 -0.01 0.25 0.00 -1.45 0.00 0.00 58.65 57.44 2k8r h GLN 120 Cb 0.00 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 2k8r h GLN 120 CO 0.00 0.13 0.64 1.57 -0.95 0.00 0.00 178.83 180.23 2k8r h LYS 121 N 0.21 0.00 -0.08 1.46 5.09 -1.86 0.27 116.57 121.66 2k8r h LYS 121 Ca 0.78 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 61.43 2k8r h LYS 121 Cb 1.91 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.22 2k8r h LYS 121 CO -0.64 0.00 -0.32 0.00 -2.09 0.00 0.00 179.45 176.39 2k8r h ALA 122 N 1.53 1.30 -1.37 0.07 0.00 -0.26 -3.37 119.26 117.17 2k8r h ALA 122 Ca 0.41 -0.33 -0.44 0.00 0.00 0.00 0.00 54.91 54.55 2k8r h ALA 122 Cb 1.69 -0.08 -0.31 0.00 0.00 0.00 0.00 17.79 19.09 2k8r h ALA 122 CO -0.00 0.49 -0.93 -0.89 0.00 0.00 0.00 179.25 177.91 2k8r n ILE 123 N -4.11 -0.35 -2.74 0.00 -0.00 0.87 -4.68 119.36 108.36 2k8r n ILE 123 Ca -0.01 -3.36 -0.09 0.00 -0.00 0.00 0.00 62.75 59.29 2k8r n ILE 123 Cb 0.40 -0.46 0.08 0.00 -0.00 0.00 0.00 39.64 39.66 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 1.07 -2.49 -4.49 1.39 7.94 -0.64 -4.94 117.00 114.84 2k8r n LEU 124 Ca 0.18 -3.61 -0.34 0.00 -1.11 0.00 0.00 56.01 51.13 2k8r n LEU 124 Cb 0.60 0.91 -0.12 0.00 0.53 0.00 0.00 43.42 45.34 2k8r n LEU 124 CO 0.14 2.06 -0.35 -0.36 -1.11 0.00 0.00 177.39 177.77 2k8r s PHE 125 N 0.38 3.02 -0.32 1.96 0.08 -1.23 -3.03 117.98 118.84 2k8r s PHE 125 Ca 0.25 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.01 2k8r s PHE 125 Cb 0.27 -1.96 0.09 0.00 -0.57 0.00 0.00 43.02 40.86 2k8r s PHE 125 CO -0.10 -0.04 0.04 -1.17 -0.10 0.00 0.00 175.22 173.85 2k8r s LEU 126 N 0.38 3.95 0.40 -0.37 2.96 0.38 0.69 118.68 127.08 2k8r s LEU 126 Ca -0.04 -1.92 0.07 0.00 -0.22 0.00 0.00 54.13 52.01 2k8r s LEU 126 Cb -0.14 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.13 2k8r s LEU 126 CO 0.03 -0.37 0.55 -2.16 -1.32 0.00 0.00 176.35 173.09 2k8r s PRO 127 N 1.11 2.92 0.31 0.98 0.04 -1.26 0.02 135.00 139.13 2k8r s PRO 127 Ca 0.08 -1.09 -0.29 0.00 0.04 0.00 0.00 61.00 59.75 2k8r s PRO 127 Cb -0.19 -2.75 -0.10 0.00 0.04 0.00 0.00 34.50 31.50 2k8r s PRO 127 CO -0.12 -0.18 1.23 -1.17 0.04 0.00 0.00 177.00 176.80 2k8r s LEU 128 N -4.33 4.47 0.28 -3.56 2.96 -0.71 -4.92 118.68 112.87 2k8r s LEU 128 Ca 0.51 2.54 -0.01 0.00 -0.22 0.00 0.00 54.13 56.95 2k8r s LEU 128 Cb -0.10 -3.64 0.64 0.00 0.50 0.00 0.00 46.19 43.58 2k8r s LEU 128 CO 0.33 -0.39 1.62 -0.65 -1.32 0.00 0.00 176.35 175.94 2k8r h PRO 129 N 3.54 0.12 -5.03 0.98 0.11 -1.97 -3.41 132.00 126.34 2k8r h PRO 129 Ca -0.48 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.13 2k8r h PRO 129 Cb 1.22 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 2k8r h PRO 129 CO 0.66 0.08 1.76 1.33 -0.21 0.00 0.00 178.00 181.62 2k8r n VAL 130 N -5.33 -0.00 -3.94 3.15 0.24 -1.26 -4.83 118.33 106.35 2k8r n VAL 130 Ca 0.19 -0.06 -0.09 0.00 -2.04 0.00 0.00 64.34 62.34 2k8r n VAL 130 Cb 0.64 -0.60 -0.03 0.00 -1.47 0.00 0.00 33.84 32.38 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 8.75 0.04 -0.68 -1.34 0.01 -1.26 -4.78 113.70 114.45 2k8r s SER 131 Ca 1.34 -0.98 -0.16 0.00 1.31 0.00 0.00 55.95 57.46 2k8r s SER 131 Cb -1.18 0.69 0.16 0.00 0.21 0.00 0.00 66.02 65.90 2k8r s SER 131 CO 0.48 -1.33 0.65 -0.44 0.41 0.00 0.00 173.24 173.01 2k8r s SER 132 N -3.04 6.44 0.00 2.44 0.01 -1.26 -4.66 113.70 113.64 2k8r s SER 132 Ca 0.19 -2.14 0.25 0.00 1.31 0.00 0.00 55.95 55.56 2k8r s SER 132 Cb -0.03 -2.22 1.46 0.00 0.21 0.00 0.00 66.02 65.44 2k8r s SER 132 CO 0.11 -0.77 1.83 -0.67 0.41 0.00 0.00 173.24 174.15