#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 2.56 0.17 -3.48 0.00 -1.26 -4.24 119.74 113.50 2k8r s LYS 2 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 55.97 55.22 2k8r s LYS 2 Cb 0.00 -2.13 -0.02 0.00 0.00 0.00 0.00 37.83 35.68 2k8r s LYS 2 CO 0.00 -0.05 0.23 0.15 0.00 0.00 0.00 175.35 175.67 2k8r s LYS 3 N 0.94 1.16 -0.61 1.78 1.02 -1.26 -5.08 119.74 117.69 2k8r s LYS 3 Ca -0.06 -1.33 -0.26 0.00 0.02 0.00 0.00 55.97 54.34 2k8r s LYS 3 Cb -0.15 0.34 -0.10 0.00 -0.52 0.00 0.00 37.83 37.40 2k8r s LYS 3 CO -0.02 -0.41 2.42 -2.30 -0.92 0.00 0.00 175.35 174.12 2k8r n PRO 4 N -0.22 0.85 -2.79 -1.68 -0.02 -1.26 -4.54 135.00 125.34 2k8r n PRO 4 Ca -0.04 -0.33 -0.22 0.00 -2.02 0.00 0.00 63.50 60.89 2k8r n PRO 4 Cb 0.64 -3.54 0.03 0.00 -0.02 0.00 0.00 33.50 30.60 2k8r n PRO 4 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2k8r s LYS 5 N 8.54 2.77 0.06 -0.52 2.20 0.22 -4.72 119.74 128.29 2k8r s LYS 5 Ca 0.96 -0.65 -0.05 0.00 -0.36 0.00 0.00 55.97 55.87 2k8r s LYS 5 Cb -0.16 -2.52 -0.02 0.00 -1.51 0.00 0.00 37.83 33.62 2k8r s LYS 5 CO 0.19 -0.52 0.08 -0.48 -0.36 0.00 0.00 175.35 174.26 2k8r s LEU 6 N -4.67 1.94 -0.52 5.43 2.34 -1.26 -3.73 118.68 118.20 2k8r s LEU 6 Ca 0.53 -0.73 0.01 0.00 0.06 0.00 0.00 54.13 54.01 2k8r s LEU 6 Cb -0.10 0.58 0.13 0.00 -0.56 0.00 0.00 46.19 46.24 2k8r s LEU 6 CO 0.38 -0.60 0.29 -0.22 -1.06 0.00 0.00 176.35 175.14 2k8r s LEU 7 N -2.61 4.71 -0.07 1.48 2.96 -1.26 -2.23 118.68 121.67 2k8r s LEU 7 Ca 0.02 -2.81 -0.16 0.00 -0.22 0.00 0.00 54.13 50.96 2k8r s LEU 7 Cb 0.04 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 2k8r s LEU 7 CO -0.08 -0.31 0.43 -0.47 -1.32 0.00 0.00 176.35 174.60 2k8r s TYR 8 N 0.00 3.61 -0.19 5.38 6.14 0.15 -4.05 117.35 128.40 2k8r s TYR 8 Ca 0.16 0.92 -0.01 0.00 0.64 0.00 0.00 57.07 58.77 2k8r s TYR 8 Cb -0.23 -2.42 0.00 0.00 0.42 0.00 0.00 41.96 39.73 2k8r s TYR 8 CO -0.02 0.39 -0.12 0.00 0.64 0.00 0.00 175.55 176.43 2k8r n SER 10 N 4.59 4.25 -2.19 0.00 2.88 -1.22 -4.48 113.62 117.46 2k8r n SER 10 Ca -0.19 -2.85 0.01 0.00 -1.33 0.00 0.00 58.87 54.50 2k8r n SER 10 Cb 0.51 -1.68 0.04 0.00 -0.75 0.00 0.00 64.21 62.33 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 8.38 1.49 -1.88 -3.46 2.85 -1.26 -4.69 115.26 116.68 2k8r n ASN 11 Ca 0.49 -2.15 -0.02 0.00 -0.11 0.00 0.00 54.58 52.79 2k8r n ASN 11 Cb 0.44 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 41.06 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 -0.18 -0.86 0.00 8.20 0.00 -1.26 -4.94 105.19 106.15 2k8r n GLY 12 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.46 0.63 3.17 -0.02 0.00 -1.26 -4.99 105.19 102.26 2k8r n GLY 13 Ca 0.03 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.01 1.21 -0.05 1.61 3.76 -1.26 -4.90 115.29 112.64 2k8r s HIS 14 Ca 0.00 -0.46 -0.03 0.00 -0.15 0.00 0.00 55.06 54.42 2k8r s HIS 14 Cb 0.00 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 33.04 2k8r s HIS 14 CO 0.00 0.05 0.13 -0.06 -0.85 0.00 0.00 174.74 174.01 2k8r s PHE 15 N -1.27 -0.14 0.00 1.40 0.40 -0.97 -0.90 117.98 116.49 2k8r s PHE 15 Ca -0.02 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.71 2k8r s PHE 15 Cb -0.10 -0.05 0.00 0.00 0.51 0.00 0.00 43.02 43.38 2k8r s PHE 15 CO 0.02 -0.12 0.00 1.47 0.70 0.00 0.00 175.22 177.29 2k8r n LEU 16 N 3.78 0.00 -3.77 -0.37 -0.00 -1.23 -3.87 117.00 111.53 2k8r n LEU 16 Ca -0.22 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.67 2k8r n LEU 16 Cb 0.54 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.85 2k8r n LEU 16 CO 0.20 0.00 -0.05 -0.60 -0.00 0.00 0.00 177.39 176.94 2k8r s ARG 17 N 0.00 0.33 -0.11 1.47 3.52 -1.21 -3.18 118.95 119.77 2k8r s ARG 17 Ca 0.00 0.40 0.03 0.00 -0.13 0.00 0.00 55.73 56.02 2k8r s ARG 17 Cb 0.00 0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.56 2k8r s ARG 17 CO 0.00 -0.04 -0.18 -1.50 -0.81 0.00 0.00 175.30 172.76 2k8r s ILE 18 N 0.17 1.72 -0.12 4.11 1.10 -1.26 -0.99 121.20 125.91 2k8r s ILE 18 Ca -0.00 -0.79 -0.21 0.00 -0.51 0.00 0.00 60.65 59.14 2k8r s ILE 18 Cb -0.02 -1.53 -0.03 0.00 0.15 0.00 0.00 42.46 41.03 2k8r s ILE 18 CO 0.00 0.48 0.61 -0.76 -2.11 0.00 0.00 174.94 173.16 2k8r s LEU 19 N 0.75 4.25 0.51 8.50 2.01 0.38 -4.88 118.68 130.20 2k8r s LEU 19 Ca -0.11 0.96 0.36 0.00 0.01 0.00 0.00 54.13 55.35 2k8r s LEU 19 Cb -0.16 -2.90 1.50 0.00 0.01 0.00 0.00 46.19 44.64 2k8r s LEU 19 CO 0.02 -0.13 1.73 1.55 1.01 0.00 0.00 176.35 180.53 2k8r h PRO 20 N 6.97 0.07 -0.80 1.29 0.13 -1.93 0.52 132.00 138.24 2k8r h PRO 20 Ca -0.38 -0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.95 2k8r h PRO 20 Cb 1.17 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 2k8r h PRO 20 CO 0.76 0.05 0.55 -0.44 -0.23 0.00 0.00 178.00 178.69 2k8r h ASP 21 N 0.07 0.20 0.00 1.44 5.19 -1.97 -3.40 116.42 117.96 2k8r h ASP 21 Ca 0.67 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 57.10 2k8r h ASP 21 Cb 2.48 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.97 2k8r h ASP 21 CO -0.11 0.09 0.00 0.61 -3.12 0.00 0.00 179.24 176.71 2k8r n GLY 22 N -1.60 0.94 3.55 2.75 0.00 0.18 -4.90 105.19 106.11 2k8r n GLY 22 Ca 0.16 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.08 0.00 -0.08 2.61 2.01 -1.03 -4.59 115.64 114.48 2k8r s THR 23 Ca 0.00 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 2k8r s THR 23 Cb 0.00 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 2k8r s THR 23 CO 0.00 -0.01 0.02 0.54 -0.69 0.00 0.00 174.62 174.48 2k8r s VAL 24 N -0.56 4.45 0.27 3.82 0.11 -1.26 0.14 120.40 127.37 2k8r s VAL 24 Ca -0.07 -0.24 0.05 0.00 -2.93 0.00 0.00 61.98 58.80 2k8r s VAL 24 Cb -0.02 -2.90 -0.02 0.00 -1.53 0.00 0.00 36.38 31.91 2k8r s VAL 24 CO 0.06 0.57 0.20 -0.90 -3.33 0.00 0.00 175.10 171.70 2k8r n ASP 25 N 1.99 -0.20 -4.77 3.54 5.75 -0.17 -4.69 116.55 118.00 2k8r n ASP 25 Ca -0.18 -2.71 -0.40 0.00 -0.01 0.00 0.00 54.79 51.49 2k8r n ASP 25 Cb 0.54 1.20 -0.06 0.00 -1.03 0.00 0.00 41.12 41.77 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 -2.85 2.98 0.18 6.12 0.00 -1.26 -3.33 107.32 109.17 2k8r s GLY 26 Ca 0.28 0.45 -0.23 0.00 0.00 0.00 0.00 44.72 45.21 2k8r s GLY 26 CO 0.20 0.97 0.74 -1.59 0.00 0.00 0.00 173.10 173.42 2k8r s THR 27 N -1.17 0.00 -0.08 0.90 2.01 -0.08 -4.83 115.64 112.40 2k8r s THR 27 Ca 0.38 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.94 2k8r s THR 27 Cb -0.24 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.78 2k8r s THR 27 CO 0.28 0.00 -0.13 0.00 -0.69 0.00 0.00 174.62 174.09 2k8r s ARG 28 N -3.64 1.81 0.35 4.92 1.70 -1.26 -2.30 118.95 120.52 2k8r s ARG 28 Ca 0.07 -0.43 -0.03 0.00 -0.47 0.00 0.00 55.73 54.87 2k8r s ARG 28 Cb -0.03 -1.53 0.01 0.00 -0.57 0.00 0.00 34.95 32.83 2k8r s ARG 28 CO -0.03 -0.01 0.50 -3.47 -1.08 0.00 0.00 175.30 171.21 2k8r n ASP 29 N 3.99 -1.41 -3.79 -2.89 -0.08 -1.26 -5.06 116.55 106.05 2k8r n ASP 29 Ca -0.21 -2.85 -0.42 0.00 -1.51 0.00 0.00 54.79 49.80 2k8r n ASP 29 Cb 0.51 2.60 0.00 0.00 2.34 0.00 0.00 41.12 46.58 2k8r n ASP 29 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2k8r n ARG 30 N -0.57 3.28 -3.47 -0.67 3.00 -1.26 -4.41 116.66 112.55 2k8r n ARG 30 Ca -0.00 -3.08 -0.25 0.00 -0.00 0.00 0.00 57.85 54.51 2k8r n ARG 30 Cb 0.58 -3.09 0.04 0.00 0.00 0.00 0.00 32.46 29.99 2k8r n ARG 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2k8r n SER 31 N 4.86 -5.53 -0.53 6.15 7.64 -1.26 -4.96 113.62 119.99 2k8r n SER 31 Ca 0.46 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2k8r n SER 31 Cb 0.37 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.15 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 -2.71 1.45 0.00 6.43 -0.08 -1.26 -4.49 116.55 115.88 2k8r n ASP 32 Ca -0.02 -0.31 0.00 0.00 -1.51 0.00 0.00 54.79 52.95 2k8r n ASP 32 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 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 -0.34 -0.67 0.00 -1.26 -4.69 117.38 110.42 2k8r n GLN 33 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 57.00 57.29 2k8r n GLN 33 Cb 0.00 0.00 0.61 0.00 0.00 0.00 0.00 30.24 30.85 2k8r n GLN 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2k8r h HIS 34 N 0.00 0.42 0.00 3.69 6.17 -1.88 -3.39 115.15 120.16 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 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 29.81 2k8r h HIS 34 CO 0.00 0.01 0.00 -0.89 0.71 0.00 0.00 177.93 177.76 2k8r n ILE 35 N -4.48 0.00 0.00 6.26 5.41 -1.26 -5.06 119.36 120.23 2k8r n ILE 35 Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.02 2k8r n ILE 35 Cb 1.08 -0.04 0.00 0.00 -0.71 0.00 0.00 39.64 39.98 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 -1.79 0.00 -3.43 0.38 7.27 -1.26 -4.83 117.38 113.72 2k8r n GLN 36 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.67 2k8r n GLN 36 Cb 0.00 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 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 4.37 -0.33 1.69 0.20 -1.24 0.22 118.68 123.59 2k8r s LEU 37 Ca 0.00 -0.18 -0.08 0.00 0.69 0.00 0.00 54.13 54.56 2k8r s LEU 37 Cb 0.00 -2.30 0.02 0.00 -0.43 0.00 0.00 46.19 43.47 2k8r s LEU 37 CO 0.00 -0.28 0.13 -1.10 -0.29 0.00 0.00 176.35 174.80 2k8r s GLN 38 N 1.96 2.96 -0.32 1.98 -0.21 0.24 0.70 119.66 126.99 2k8r s GLN 38 Ca 0.11 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.53 2k8r s GLN 38 Cb -0.17 -3.50 0.10 0.00 1.00 0.00 0.00 33.01 30.44 2k8r s GLN 38 CO 0.11 -0.55 0.09 -1.17 -2.12 0.00 0.00 175.29 171.65 2k8r s LEU 39 N 1.51 2.76 0.00 2.90 0.20 -1.26 0.16 118.68 124.95 2k8r s LEU 39 Ca 0.02 -1.75 0.00 0.00 0.69 0.00 0.00 54.13 53.09 2k8r s LEU 39 Cb -0.18 -1.02 0.00 0.00 -0.43 0.00 0.00 46.19 44.56 2k8r s LEU 39 CO 0.04 -0.41 0.00 -1.20 -0.29 0.00 0.00 176.35 174.49 2k8r n SER 40 N 4.72 0.00 -2.25 3.68 7.64 -0.88 -4.45 113.62 122.08 2k8r n SER 40 Ca -0.01 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2k8r n SER 40 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.86 -3.60 -0.43 0.00 -1.26 -3.76 120.51 108.61 2k8r n ALA 41 Ca 0.00 0.54 0.02 0.00 0.00 0.00 0.00 53.44 54.00 2k8r n ALA 41 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 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 -2.05 0.26 0.37 0.00 0.41 -1.26 -4.51 118.70 111.91 2k8r s GLU 42 Ca 0.11 -0.14 -0.27 0.00 -0.41 0.00 0.00 54.97 54.26 2k8r s GLU 42 Cb -0.03 0.09 -0.10 0.00 -1.78 0.00 0.00 34.13 32.31 2k8r s GLU 42 CO 0.41 -0.12 1.30 -1.54 -0.49 0.00 0.00 175.26 174.82 2k8r s SER 43 N -2.88 6.57 -0.29 -0.19 1.04 -1.25 -4.83 113.70 111.87 2k8r s SER 43 Ca 0.14 2.65 -0.32 0.00 0.48 0.00 0.00 55.95 58.90 2k8r s SER 43 Cb 0.05 -2.64 -0.14 0.00 0.10 0.00 0.00 66.02 63.39 2k8r s SER 43 CO -0.05 -0.67 1.04 0.55 0.98 0.00 0.00 173.24 175.09 2k8r n VAL 44 N 0.48 0.00 0.00 5.02 3.14 -1.26 0.40 118.33 126.10 2k8r n VAL 44 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2k8r n VAL 44 Cb 0.43 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.92 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 2.90 3.81 7.55 0.00 -1.26 -5.01 105.19 115.65 2k8r n GLY 45 Ca 0.20 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 2k8r n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8r s GLU 46 N 0.00 4.22 0.08 1.61 2.02 0.16 -0.25 118.70 126.54 2k8r s GLU 46 Ca 0.00 0.78 -0.06 0.00 0.02 0.00 0.00 54.97 55.71 2k8r s GLU 46 Cb 0.00 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 2k8r s GLU 46 CO 0.00 0.55 0.10 0.14 0.02 0.00 0.00 175.26 176.08 2k8r s VAL 47 N -1.26 0.17 -0.07 2.63 -7.23 0.26 -3.88 120.40 111.01 2k8r s VAL 47 Ca 0.34 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 59.10 2k8r s VAL 47 Cb -0.19 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 2k8r s VAL 47 CO 0.20 -0.78 -0.15 -0.47 -0.31 0.00 0.00 175.10 173.59 2k8r s TYR 48 N -3.89 2.71 -0.32 2.82 5.04 -1.25 -1.13 117.35 121.33 2k8r s TYR 48 Ca 0.06 -0.35 -0.05 0.00 -2.44 0.00 0.00 57.07 54.29 2k8r s TYR 48 Cb 0.06 -1.69 0.04 0.00 0.35 0.00 0.00 41.96 40.72 2k8r s TYR 48 CO -0.10 0.03 0.06 0.42 -1.34 0.00 0.00 175.55 174.62 2k8r s ILE 49 N -0.37 3.55 -0.41 3.14 1.01 -1.25 -2.08 121.20 124.79 2k8r s ILE 49 Ca 0.04 -1.11 -0.00 0.00 0.00 0.00 0.00 60.65 59.57 2k8r s ILE 49 Cb -0.12 -2.97 0.11 0.00 0.01 0.00 0.00 42.46 39.49 2k8r s ILE 49 CO 0.02 -0.09 0.17 -0.75 0.00 0.00 0.00 174.94 174.30 2k8r s LYS 50 N 1.38 1.87 -0.22 2.79 2.20 0.42 -3.55 119.74 124.63 2k8r s LYS 50 Ca -0.02 -1.94 -0.25 0.00 -0.36 0.00 0.00 55.97 53.40 2k8r s LYS 50 Cb -0.19 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 2k8r s LYS 50 CO 0.01 -1.04 0.86 -1.12 -0.36 0.00 0.00 175.35 173.70 2k8r s SER 51 N 1.31 6.90 0.00 1.43 0.01 -1.26 0.81 113.70 122.90 2k8r s SER 51 Ca 0.10 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.48 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 -0.05 -0.50 0.00 0.41 0.41 0.00 0.00 173.24 173.51 2k8r n THR 52 N 5.11 -1.03 -0.14 1.44 -1.04 0.59 -4.04 114.28 115.17 2k8r n THR 52 Ca 0.06 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.01 2k8r n THR 52 Cb 0.48 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 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 -0.19 -3.18 -2.82 4.57 -1.86 -3.41 114.58 107.69 2k8r h GLU 53 Ca 0.00 0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.00 2k8r h GLU 53 Cb 0.00 0.04 -0.28 0.00 -0.16 0.00 0.00 28.75 28.35 2k8r h GLU 53 CO 0.00 -0.12 -0.50 0.95 -1.18 0.00 0.00 179.01 178.16 2k8r s THR 54 N -6.05 -0.02 0.00 0.32 -4.23 -1.26 -4.89 115.64 99.51 2k8r s THR 54 Ca -0.15 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2k8r s THR 54 Cb 0.15 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.67 2k8r s THR 54 CO 0.69 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 2k8r n GLY 55 N 3.49 1.56 3.09 3.99 0.00 -1.26 -5.10 105.19 110.96 2k8r n GLY 55 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.03 0.60 -0.24 1.61 -1.52 -1.26 -4.67 119.66 114.14 2k8r s GLN 56 Ca 0.00 -1.06 -0.03 0.00 -1.95 0.00 0.00 55.36 52.32 2k8r s GLN 56 Cb 0.00 0.21 0.11 0.00 -0.22 0.00 0.00 33.01 33.12 2k8r s GLN 56 CO 0.00 -0.12 0.25 -0.47 -0.25 0.00 0.00 175.29 174.70 2k8r s TYR 57 N -3.45 -0.34 -0.21 0.91 6.14 0.40 -4.61 117.35 116.19 2k8r s TYR 57 Ca 0.03 0.06 -0.29 0.00 0.64 0.00 0.00 57.07 57.51 2k8r s TYR 57 Cb 0.04 -0.40 -0.03 0.00 0.42 0.00 0.00 41.96 41.98 2k8r s TYR 57 CO -0.08 -0.73 1.76 -1.17 0.64 0.00 0.00 175.55 175.96 2k8r s LEU 58 N 2.34 3.83 0.05 6.97 1.98 -1.23 -3.16 118.68 129.45 2k8r s LEU 58 Ca 0.08 1.71 0.03 0.00 -2.89 0.00 0.00 54.13 53.06 2k8r s LEU 58 Cb -0.15 -3.53 -0.03 0.00 0.66 0.00 0.00 46.19 43.15 2k8r s LEU 58 CO -0.21 -1.40 -0.09 0.00 -1.89 0.00 0.00 176.35 172.76 2k8r s ALA 59 N 5.79 0.70 0.15 5.97 0.00 0.37 -4.47 121.76 130.27 2k8r s ALA 59 Ca 0.78 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.94 2k8r s ALA 59 Cb -0.27 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2k8r s ALA 59 CO 0.32 0.01 0.28 0.00 0.00 0.00 0.00 175.76 176.37 2k8r s MET 60 N -1.68 3.44 -0.12 0.00 0.23 -1.20 0.08 119.30 120.05 2k8r s MET 60 Ca -0.08 -0.59 -0.13 0.00 -1.03 0.00 0.00 55.69 53.86 2k8r s MET 60 Cb -0.10 -2.97 -0.05 0.00 -1.53 0.00 0.00 34.83 30.19 2k8r s MET 60 CO 0.01 0.52 0.29 0.34 -2.03 0.00 0.00 175.02 174.15 2k8r s ASP 61 N -3.22 6.51 0.40 -1.18 2.15 0.27 -4.89 116.67 116.70 2k8r s ASP 61 Ca 0.35 0.60 0.17 0.00 0.43 0.00 0.00 52.55 54.10 2k8r s ASP 61 Cb -0.11 -2.18 1.07 0.00 -0.30 0.00 0.00 42.92 41.40 2k8r s ASP 61 CO 0.28 0.20 1.80 0.00 -0.17 0.00 0.00 175.17 177.29 2k8r h THR 62 N 4.34 0.59 0.00 1.71 1.03 -1.99 -3.08 112.91 115.52 2k8r h THR 62 Ca -0.46 -0.15 -0.00 0.00 -0.01 0.00 0.00 66.41 65.79 2k8r h THR 62 Cb 1.19 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.39 2k8r h THR 62 CO 0.69 0.08 -0.00 -0.78 -0.01 0.00 0.00 175.52 175.50 2k8r h ASP 63 N 0.43 -0.00 0.00 0.00 1.82 -2.02 -3.47 116.42 113.17 2k8r h ASP 63 Ca 0.55 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 2k8r h ASP 63 Cb 1.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.36 2k8r h ASP 63 CO -0.26 -0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.98 2k8r n GLY 64 N 0.59 0.00 3.40 -0.78 0.00 -1.16 -4.43 105.19 102.81 2k8r n GLY 64 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 2.43 -0.02 0.99 1.98 -1.25 -2.22 118.68 120.60 2k8r s LEU 65 Ca 0.00 -1.19 0.04 0.00 -2.89 0.00 0.00 54.13 50.09 2k8r s LEU 65 Cb 0.00 -0.57 -0.01 0.00 0.66 0.00 0.00 46.19 46.28 2k8r s LEU 65 CO 0.00 -0.37 -0.13 -0.76 -1.89 0.00 0.00 176.35 173.21 2k8r s LEU 66 N -3.41 1.97 0.19 -0.68 1.02 -1.26 0.94 118.68 117.44 2k8r s LEU 66 Ca 0.29 -0.24 -0.09 0.00 0.02 0.00 0.00 54.13 54.11 2k8r s LEU 66 Cb 0.04 -0.68 -0.01 0.00 0.02 0.00 0.00 46.19 45.55 2k8r s LEU 66 CO 0.11 0.14 0.32 -0.72 0.02 0.00 0.00 176.35 176.22 2k8r s TYR 67 N -0.17 0.47 -0.11 0.29 1.13 0.11 -4.42 117.35 114.65 2k8r s TYR 67 Ca 0.03 -0.82 0.06 0.00 -1.41 0.00 0.00 57.07 54.93 2k8r s TYR 67 Cb -0.06 -0.05 0.12 0.00 -1.10 0.00 0.00 41.96 40.87 2k8r s TYR 67 CO -0.00 -0.78 1.07 0.41 -2.51 0.00 0.00 175.55 173.74 2k8r n GLY 68 N -0.27 3.52 3.63 5.49 0.00 -1.25 0.14 105.19 116.45 2k8r n GLY 68 Ca -0.05 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.53 6.22 -0.88 1.61 0.01 -1.19 0.15 113.70 118.10 2k8r s SER 69 Ca 0.12 1.99 -0.28 0.00 1.31 0.00 0.00 55.95 59.09 2k8r s SER 69 Cb 0.10 -2.53 -0.19 0.00 0.21 0.00 0.00 66.02 63.60 2k8r s SER 69 CO 0.02 -1.33 2.39 1.67 0.41 0.00 0.00 173.24 176.40 2k8r n GLN 70 N 7.82 0.00 -3.35 12.44 0.00 -1.26 -4.53 117.38 128.50 2k8r n GLN 70 Ca 0.21 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 57.06 2k8r n GLN 70 Cb 0.44 -1.33 -0.07 0.00 0.00 0.00 0.00 30.24 29.27 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 7.92 -0.41 -0.31 1.69 2.01 -1.26 -4.96 115.64 120.32 2k8r s THR 71 Ca 1.21 -0.79 -0.28 0.00 0.31 0.00 0.00 61.69 62.13 2k8r s THR 71 Cb -1.13 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2k8r s THR 71 CO 0.44 -0.50 2.10 -2.16 -0.69 0.00 0.00 174.62 173.81 2k8r s PRO 72 N 1.69 3.01 0.07 4.92 0.04 -1.26 -4.90 135.00 138.57 2k8r s PRO 72 Ca 0.15 1.69 -0.26 0.00 0.04 0.00 0.00 61.00 62.62 2k8r s PRO 72 Cb -0.14 -4.35 0.08 0.00 0.04 0.00 0.00 34.50 30.13 2k8r s PRO 72 CO -0.10 -2.24 0.70 1.21 0.04 0.00 0.00 177.00 176.60 2k8r s ASN 73 N 8.20 -0.53 0.57 6.66 3.84 -1.26 -5.03 114.94 127.40 2k8r s ASN 73 Ca 0.92 0.15 0.29 0.00 0.21 0.00 0.00 52.86 54.44 2k8r s ASN 73 Cb -0.27 0.53 1.47 0.00 -0.55 0.00 0.00 41.25 42.43 2k8r s ASN 73 CO 0.33 -0.80 1.90 -0.33 -2.79 0.00 0.00 177.10 175.40 2k8r h GLU 74 N 2.21 0.00 0.00 0.43 5.08 -2.00 -1.17 114.58 119.13 2k8r h GLU 74 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2k8r h GLU 74 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2k8r h GLU 74 CO 0.36 0.00 0.30 0.93 -1.00 0.00 0.00 179.01 179.60 2k8r h GLU 75 N 0.00 0.00 -0.00 2.33 4.39 -1.93 0.38 114.58 119.75 2k8r h GLU 75 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2k8r h GLU 75 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2k8r h GLU 75 CO -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 179.01 177.83 2k8r s LEU 77 N -2.50 4.10 0.26 0.00 2.01 0.13 -3.81 118.68 118.87 2k8r s LEU 77 Ca 0.31 0.24 0.11 0.00 0.01 0.00 0.00 54.13 54.80 2k8r s LEU 77 Cb 0.20 -3.09 -0.05 0.00 0.01 0.00 0.00 46.19 43.26 2k8r s LEU 77 CO 0.45 -0.87 -0.20 -0.36 1.01 0.00 0.00 176.35 176.39 2k8r s PHE 78 N 3.36 2.22 -0.27 0.29 0.40 -0.28 -1.94 117.98 121.76 2k8r s PHE 78 Ca 0.33 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 56.23 2k8r s PHE 78 Cb -0.12 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.40 2k8r s PHE 78 CO 0.21 0.64 0.08 -1.17 0.70 0.00 0.00 175.22 175.68 2k8r s LEU 79 N -3.35 3.64 -0.44 -0.37 1.98 0.16 0.90 118.68 121.20 2k8r s LEU 79 Ca 0.28 -0.38 -0.16 0.00 -2.89 0.00 0.00 54.13 50.97 2k8r s LEU 79 Cb -0.05 -1.92 0.04 0.00 0.66 0.00 0.00 46.19 44.92 2k8r s LEU 79 CO 0.13 -0.10 0.40 -0.70 -1.89 0.00 0.00 176.35 174.20 2k8r s GLU 80 N 1.59 3.02 -0.77 1.98 2.12 0.65 -1.78 118.70 125.52 2k8r s GLU 80 Ca 0.05 -1.04 -0.08 0.00 0.36 0.00 0.00 54.97 54.26 2k8r s GLU 80 Cb -0.16 -4.04 0.20 0.00 0.26 0.00 0.00 34.13 30.39 2k8r s GLU 80 CO 0.04 -0.92 0.66 0.50 -0.54 0.00 0.00 175.26 174.99 2k8r s ARG 81 N 1.90 3.19 -0.22 4.30 3.52 0.26 -4.67 118.95 127.23 2k8r s ARG 81 Ca 0.08 -2.63 -0.15 0.00 -0.13 0.00 0.00 55.73 52.90 2k8r s ARG 81 Cb -0.20 -4.10 -0.04 0.00 -1.56 0.00 0.00 34.95 29.05 2k8r s ARG 81 CO 0.10 -1.24 0.36 -1.17 -0.81 0.00 0.00 175.30 172.54 2k8r s LEU 82 N -0.20 4.12 0.00 -0.88 2.96 -1.26 0.95 118.68 124.37 2k8r s LEU 82 Ca 0.19 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 2k8r s LEU 82 Cb -0.14 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.12 2k8r s LEU 82 CO -0.07 -0.08 0.00 1.21 -1.32 0.00 0.00 176.35 176.09 2k8r n GLU 83 N 4.63 0.00 0.00 1.98 2.13 -1.10 -5.01 120.64 123.27 2k8r n GLU 83 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 2k8r n GLU 83 Cb 0.51 -0.27 0.00 0.00 0.27 0.00 0.00 31.44 31.95 2k8r n GLU 83 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2k8r n GLU 84 N -0.69 0.00 -0.67 5.31 0.28 -1.25 -5.02 120.64 118.60 2k8r n GLU 84 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 2k8r n GLU 84 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 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 4.44 -4.50 -1.84 5.15 -1.26 -4.47 115.26 112.78 2k8r n ASN 85 Ca 0.00 -2.29 -0.41 0.00 -0.60 0.00 0.00 54.58 51.27 2k8r n ASN 85 Cb 0.00 -1.04 -0.08 0.00 -0.53 0.00 0.00 39.78 38.13 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 4.32 -1.16 -3.71 1.20 1.44 -1.26 -4.89 115.22 111.16 2k8r n HIS 86 Ca 0.40 0.67 -0.13 0.00 -2.01 0.00 0.00 57.72 56.65 2k8r n HIS 86 Cb 0.12 -1.95 -0.08 0.00 0.12 0.00 0.00 29.99 28.21 2k8r n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2k8r s TYR 87 N -3.36 -0.23 0.26 -1.40 1.13 -1.26 -4.64 117.35 107.85 2k8r s TYR 87 Ca 0.74 0.29 -0.10 0.00 -1.41 0.00 0.00 57.07 56.59 2k8r s TYR 87 Cb -0.43 0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 40.58 2k8r s TYR 87 CO 1.02 -0.47 0.45 0.54 -2.51 0.00 0.00 175.55 174.57 2k8r s ASN 88 N -1.59 0.09 -0.01 -0.18 2.20 -0.50 -2.70 114.94 112.25 2k8r s ASN 88 Ca -0.10 -1.07 0.02 0.00 -0.94 0.00 0.00 52.86 50.77 2k8r s ASN 88 Cb -0.03 0.58 -0.00 0.00 -2.00 0.00 0.00 41.25 39.80 2k8r s ASN 88 CO 0.02 -1.15 -0.08 0.42 -2.94 0.00 0.00 177.10 173.38 2k8r s THR 89 N -3.84 0.63 -0.08 0.54 -4.23 0.27 -3.44 115.64 105.49 2k8r s THR 89 Ca 0.25 -0.32 0.04 0.00 -1.18 0.00 0.00 61.69 60.49 2k8r s THR 89 Cb 0.00 -0.55 -0.01 0.00 1.34 0.00 0.00 72.50 73.29 2k8r s THR 89 CO 0.11 0.19 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.86 2k8r s TYR 90 N -0.03 2.58 0.03 3.99 2.02 -1.26 0.90 117.35 125.58 2k8r s TYR 90 Ca 0.01 -0.72 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 2k8r s TYR 90 Cb -0.05 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 2k8r s TYR 90 CO -0.00 -0.22 -0.04 0.96 -1.57 0.00 0.00 175.55 174.68 2k8r s ILE 91 N -0.00 0.23 -0.24 2.71 -4.36 -0.73 -3.95 121.20 114.85 2k8r s ILE 91 Ca -0.07 -1.17 -0.29 0.00 -0.26 0.00 0.00 60.65 58.87 2k8r s ILE 91 Cb -0.15 -0.63 -0.03 0.00 1.25 0.00 0.00 42.46 42.90 2k8r s ILE 91 CO 0.05 -0.60 1.75 -0.44 0.24 0.00 0.00 174.94 175.94 2k8r s SER 92 N -1.85 6.14 0.15 4.36 0.01 -1.26 0.36 113.70 121.62 2k8r s SER 92 Ca -0.09 1.59 -0.12 0.00 1.31 0.00 0.00 55.95 58.64 2k8r s SER 92 Cb -0.06 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.67 2k8r s SER 92 CO -0.03 -1.46 1.62 0.50 0.41 0.00 0.00 173.24 174.29 2k8r h LYS 93 N 11.80 0.88 -0.34 12.44 3.11 -1.67 -3.03 116.57 139.77 2k8r h LYS 93 Ca -0.35 -0.26 -0.17 0.00 -2.81 0.00 0.00 60.65 57.06 2k8r h LYS 93 Cb 1.17 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2k8r h LYS 93 CO 1.00 0.89 -0.44 -0.22 -2.81 0.00 0.00 179.45 177.87 2k8r h LYS 94 N 0.76 0.88 -2.40 1.90 3.64 -1.86 -3.27 116.57 116.21 2k8r h LYS 94 Ca 0.15 -0.49 -0.73 0.00 -1.27 0.00 0.00 60.65 58.31 2k8r h LYS 94 Cb 0.46 0.03 -0.18 0.00 -0.41 0.00 0.00 32.23 32.14 2k8r h LYS 94 CO 0.02 1.14 1.72 0.72 -2.27 0.00 0.00 179.45 180.77 2k8r n HIS 95 N -4.04 2.52 0.02 1.91 8.25 -1.15 -4.68 115.22 118.05 2k8r n HIS 95 Ca -0.03 -2.60 0.02 0.00 -0.26 0.00 0.00 57.72 54.85 2k8r n HIS 95 Cb 0.57 -1.58 0.36 0.00 1.12 0.00 0.00 29.99 30.46 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 4.18 1.52 0.00 -1.41 0.00 -1.61 0.11 119.26 122.06 2k8r h ALA 96 Ca 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2k8r h ALA 96 Cb 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k8r h ALA 96 CO 1.32 0.36 0.00 0.39 0.00 0.00 0.00 179.25 181.31 2k8r n GLU 97 N -4.36 0.21 -2.65 0.00 -0.58 -1.26 -3.70 120.64 108.30 2k8r n GLU 97 Ca 0.02 0.23 -0.10 0.00 -0.42 0.00 0.00 57.16 56.89 2k8r n GLU 97 Cb 0.17 -1.78 0.03 0.00 -0.57 0.00 0.00 31.44 29.30 2k8r n GLU 97 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2k8r n LYS 98 N -2.15 1.50 -2.48 3.49 5.02 -0.56 -5.08 118.16 117.89 2k8r n LYS 98 Ca 0.05 -3.43 -0.43 0.00 -2.02 0.00 0.00 58.31 52.48 2k8r n LYS 98 Cb 0.37 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.95 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 -3.25 6.86 -0.02 4.39 4.22 -0.08 -4.90 114.94 122.15 2k8r s ASN 99 Ca 0.30 1.40 0.03 0.00 -2.14 0.00 0.00 52.86 52.44 2k8r s ASN 99 Cb 0.44 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 40.43 2k8r s ASN 99 CO 0.01 -0.89 -0.09 0.26 -2.04 0.00 0.00 177.10 174.35 2k8r s TRP 100 N 3.82 0.97 0.36 1.54 0.52 -1.26 -4.97 118.94 119.91 2k8r s TRP 100 Ca 0.53 -0.24 -0.28 0.00 0.02 0.00 0.00 56.10 56.13 2k8r s TRP 100 Cb -0.18 -0.68 -0.10 0.00 -1.15 0.00 0.00 33.47 31.35 2k8r s TRP 100 CO 0.17 -0.09 1.38 -0.06 0.02 0.00 0.00 176.95 178.37 2k8r s PHE 101 N 0.15 2.82 0.00 -1.98 0.08 -1.26 -4.59 117.98 113.20 2k8r s PHE 101 Ca -0.02 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.34 2k8r s PHE 101 Cb -0.08 -3.83 0.00 0.00 -0.57 0.00 0.00 43.02 38.54 2k8r s PHE 101 CO 0.00 -2.37 0.00 1.33 -0.10 0.00 0.00 175.22 174.08 2k8r n VAL 102 N 0.57 0.00 0.00 -0.44 0.24 -1.25 -4.47 118.33 112.98 2k8r n VAL 102 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 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 3.06 3.97 7.63 0.00 -1.26 -4.60 105.19 119.00 2k8r n GLY 103 Ca 0.00 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 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 3.76 -0.06 0.99 2.34 -1.26 -0.95 118.68 123.49 2k8r s LEU 104 Ca 0.00 0.04 0.05 0.00 0.06 0.00 0.00 54.13 54.28 2k8r s LEU 104 Cb 0.00 -2.95 -0.00 0.00 -0.56 0.00 0.00 46.19 42.68 2k8r s LEU 104 CO 0.00 -0.63 -0.21 -0.75 -1.06 0.00 0.00 176.35 173.70 2k8r s LYS 105 N -4.40 2.29 0.51 1.48 2.47 0.23 -4.88 119.74 117.44 2k8r s LYS 105 Ca 0.48 -0.76 0.25 0.00 -1.56 0.00 0.00 55.97 54.38 2k8r s LYS 105 Cb -0.10 -1.91 1.39 0.00 -1.46 0.00 0.00 37.83 35.75 2k8r s LYS 105 CO 0.35 0.28 1.75 1.57 0.16 0.00 0.00 175.35 179.46 2k8r h LYS 106 N 6.28 0.00 -0.07 4.03 2.10 -1.92 0.18 116.57 127.17 2k8r h LYS 106 Ca -0.30 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.37 2k8r h LYS 106 Cb 1.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2k8r h LYS 106 CO 0.47 0.00 0.29 -0.97 -2.00 0.00 0.00 179.45 177.24 2k8r h ASN 107 N 0.00 0.00 0.00 7.07 -0.73 -1.99 -3.45 115.58 116.48 2k8r h ASN 107 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2k8r h ASN 107 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.06 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 -1.25 1.97 3.37 1.57 0.00 0.60 -5.12 105.19 106.33 2k8r n GLY 108 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 -0.41 0.07 1.61 0.01 -1.03 -5.02 113.70 106.92 2k8r s SER 109 Ca 0.00 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.59 2k8r s SER 109 Cb 0.00 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.63 2k8r s SER 109 CO 0.00 -0.57 0.21 0.00 0.41 0.00 0.00 173.24 173.28 2k8r s LYS 111 N -2.56 0.53 0.00 0.00 -0.14 -0.13 -4.91 119.74 112.53 2k8r s LYS 111 Ca 0.35 -0.95 0.00 0.00 -1.36 0.00 0.00 55.97 54.00 2k8r s LYS 111 Cb -0.13 -1.62 0.00 0.00 -1.68 0.00 0.00 37.83 34.40 2k8r s LYS 111 CO 0.28 -1.03 0.00 -2.13 -0.76 0.00 0.00 175.35 171.70 2k8r n ARG 112 N 4.84 0.38 -0.08 1.68 0.00 -1.15 -4.16 116.66 118.17 2k8r n ARG 112 Ca -0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.67 2k8r n ARG 112 Cb 0.41 -0.75 -0.12 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 0.00 -0.85 5.14 0.00 -1.66 -3.38 103.07 102.33 2k8r h GLY 113 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 2k8r h GLY 113 CO 0.00 0.00 -0.46 -1.05 0.00 0.00 0.00 176.54 175.03 2k8r n PRO 114 N -4.56 -0.33 0.00 4.80 -0.02 -1.26 -4.61 135.00 129.02 2k8r n PRO 114 Ca -0.17 1.29 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 2k8r n PRO 114 Cb 0.53 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 -5.11 0.00 -3.43 -0.52 0.63 -1.26 -5.14 116.66 101.83 2k8r n ARG 115 Ca 0.03 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.58 2k8r n ARG 115 Cb 0.25 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.08 2k8r n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2k8r s THR 116 N 0.00 5.22 0.00 5.15 2.01 -1.26 -4.61 115.64 122.15 2k8r s THR 116 Ca 0.00 0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.62 2k8r s THR 116 Cb 0.00 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2k8r s THR 116 CO 0.00 0.26 0.00 1.41 -0.69 0.00 0.00 174.62 175.60 2k8r n HIS 117 N 4.49 0.00 -4.12 4.92 -0.00 -1.26 -4.89 115.22 114.36 2k8r n HIS 117 Ca -0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.31 2k8r n HIS 117 Cb 0.51 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.43 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 3.18 0.00 4.41 1.51 -1.26 -4.98 117.35 120.21 2k8r s TYR 118 Ca 0.00 0.11 0.00 0.00 -1.01 0.00 0.00 57.07 56.17 2k8r s TYR 118 Cb 0.00 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 2k8r s TYR 118 CO 0.00 0.52 0.00 0.41 -1.11 0.00 0.00 175.55 175.37 2k8r n GLY 119 N 0.87 0.45 0.33 0.71 0.00 -1.26 -4.59 105.19 101.70 2k8r n GLY 119 Ca -0.11 -1.08 0.27 0.00 0.00 0.00 0.00 46.02 45.10 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 0.10 -1.08 1.61 4.20 -1.94 0.70 115.11 118.70 2k8r h GLN 120 Ca 0.00 -0.01 0.31 0.00 0.06 0.00 0.00 58.65 59.02 2k8r h GLN 120 Cb 0.00 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 2k8r h GLN 120 CO 0.00 0.07 0.79 1.57 -0.67 0.00 0.00 178.83 180.59 2k8r h LYS 121 N 0.11 0.00 0.00 1.46 5.09 -1.85 0.70 116.57 122.08 2k8r h LYS 121 Ca 0.77 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 61.47 2k8r h LYS 121 Cb 1.90 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.22 2k8r h LYS 121 CO -0.73 0.00 -0.18 0.00 -2.09 0.00 0.00 179.45 176.44 2k8r h ALA 122 N 1.44 1.01 -0.26 0.07 0.00 0.18 -3.32 119.26 118.39 2k8r h ALA 122 Ca 0.51 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 55.05 2k8r h ALA 122 Cb 2.09 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 19.48 2k8r h ALA 122 CO -0.01 0.23 -0.98 -0.89 0.00 0.00 0.00 179.25 177.60 2k8r n ILE 123 N -3.32 0.76 -3.22 0.00 -0.00 0.20 -4.65 119.36 109.13 2k8r n ILE 123 Ca 0.00 -2.10 -0.23 0.00 -0.00 0.00 0.00 62.75 60.42 2k8r n ILE 123 Cb 0.42 1.16 -0.07 0.00 -0.00 0.00 0.00 39.64 41.15 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 -0.37 -0.56 -4.55 1.39 7.94 0.12 -4.80 117.00 116.17 2k8r n LEU 124 Ca 0.03 -4.34 -0.34 0.00 -1.11 0.00 0.00 56.01 50.25 2k8r n LEU 124 Cb 0.90 0.62 -0.11 0.00 0.53 0.00 0.00 43.42 45.35 2k8r n LEU 124 CO 0.01 1.96 -0.36 -0.36 -1.11 0.00 0.00 177.39 177.53 2k8r s PHE 125 N -0.37 3.00 -0.38 1.96 0.40 -1.22 -3.43 117.98 117.94 2k8r s PHE 125 Ca 0.34 -0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.57 2k8r s PHE 125 Cb 0.10 -1.83 0.11 0.00 0.51 0.00 0.00 43.02 41.91 2k8r s PHE 125 CO -0.15 0.18 0.13 -1.17 0.70 0.00 0.00 175.22 174.90 2k8r s LEU 126 N -0.30 4.97 0.20 -0.37 2.96 0.36 -1.41 118.68 125.09 2k8r s LEU 126 Ca 0.05 -2.15 0.02 0.00 -0.22 0.00 0.00 54.13 51.83 2k8r s LEU 126 Cb -0.13 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 2k8r s LEU 126 CO 0.02 -0.44 0.34 -2.16 -1.32 0.00 0.00 176.35 172.80 2k8r s PRO 127 N 0.94 3.46 0.14 0.98 0.04 -1.26 0.34 135.00 139.64 2k8r s PRO 127 Ca 0.10 -0.58 -0.31 0.00 0.04 0.00 0.00 61.00 60.25 2k8r s PRO 127 Cb -0.21 -2.90 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 2k8r s PRO 127 CO -0.06 0.45 1.42 -1.17 0.04 0.00 0.00 177.00 177.67 2k8r s LEU 128 N -3.54 4.37 0.18 -3.56 2.96 -0.95 -4.90 118.68 113.24 2k8r s LEU 128 Ca 0.35 2.40 -0.10 0.00 -0.22 0.00 0.00 54.13 56.56 2k8r s LEU 128 Cb -0.10 -3.59 0.23 0.00 0.50 0.00 0.00 46.19 43.22 2k8r s LEU 128 CO 0.29 -0.68 1.12 -2.65 -1.32 0.00 0.00 176.35 173.11 2k8r n PRO 129 N 3.78 -0.13 -1.35 0.98 -0.01 -1.26 -4.44 135.00 132.56 2k8r n PRO 129 Ca 0.11 1.11 -0.34 0.00 -0.01 0.00 0.00 63.50 64.37 2k8r n PRO 129 Cb 0.42 -1.65 -0.15 0.00 -0.01 0.00 0.00 33.50 32.11 2k8r n PRO 129 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 175.50 176.82 2k8r n VAL 130 N -5.10 0.00 -3.65 -1.45 0.24 -1.26 -4.84 118.33 102.27 2k8r n VAL 130 Ca 0.09 -0.08 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 2k8r n VAL 130 Cb 0.31 -0.37 -0.05 0.00 -1.47 0.00 0.00 33.84 32.26 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 6.60 -0.23 -0.03 -1.34 0.01 -1.26 -4.79 113.70 112.66 2k8r s SER 131 Ca 1.22 -0.23 -0.25 0.00 1.31 0.00 0.00 55.95 58.00 2k8r s SER 131 Cb -1.07 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 2k8r s SER 131 CO 0.45 -0.79 0.77 -0.44 0.41 0.00 0.00 173.24 173.65 2k8r s SER 132 N -2.55 7.12 0.00 2.44 0.01 -1.26 -4.96 113.70 114.50 2k8r s SER 132 Ca 0.00 1.34 0.23 0.00 1.31 0.00 0.00 55.95 58.84 2k8r s SER 132 Cb 0.01 -2.46 0.18 0.00 0.21 0.00 0.00 66.02 63.97 2k8r s SER 132 CO -0.09 -0.11 1.23 -0.67 0.41 0.00 0.00 173.24 174.02