#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8r s LYS 2 N 0.00 3.46 0.07 -3.48 -2.85 -1.26 -4.41 119.74 111.27 2k8r s LYS 2 Ca 0.00 -0.17 -0.11 0.00 -1.00 0.00 0.00 55.97 54.69 2k8r s LYS 2 Cb 0.00 -3.89 0.01 0.00 -2.06 0.00 0.00 37.83 31.89 2k8r s LYS 2 CO 0.00 -0.89 0.24 0.15 0.10 0.00 0.00 175.35 174.95 2k8r s LYS 3 N 2.79 0.82 -0.82 1.78 1.02 -1.26 -5.08 119.74 118.98 2k8r s LYS 3 Ca 0.24 -0.74 -0.23 0.00 0.02 0.00 0.00 55.97 55.25 2k8r s LYS 3 Cb -0.14 0.34 -0.17 0.00 -0.52 0.00 0.00 37.83 37.34 2k8r s LYS 3 CO 0.17 -0.26 2.37 -2.30 -0.92 0.00 0.00 175.35 174.41 2k8r n PRO 4 N 0.27 0.47 -2.61 -1.68 -0.02 -1.26 -4.41 135.00 125.76 2k8r n PRO 4 Ca -0.17 -0.75 -0.25 0.00 -2.02 0.00 0.00 63.50 60.32 2k8r n PRO 4 Cb 0.61 -3.31 0.03 0.00 -0.02 0.00 0.00 33.50 30.81 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 8.63 2.85 0.01 -0.52 2.20 0.21 -4.76 119.74 128.37 2k8r s LYS 5 Ca 0.98 -0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 56.20 2k8r s LYS 5 Cb -0.23 -2.39 0.01 0.00 -1.51 0.00 0.00 37.83 33.71 2k8r s LYS 5 CO 0.15 -0.61 0.21 -0.48 -0.36 0.00 0.00 175.35 174.26 2k8r s LEU 6 N -4.84 1.29 -0.61 5.43 2.34 -1.26 -3.87 118.68 117.16 2k8r s LEU 6 Ca 0.53 -0.18 -0.03 0.00 0.06 0.00 0.00 54.13 54.51 2k8r s LEU 6 Cb -0.10 0.94 0.16 0.00 -0.56 0.00 0.00 46.19 46.63 2k8r s LEU 6 CO 0.42 -0.46 0.43 -0.22 -1.06 0.00 0.00 176.35 175.46 2k8r s LEU 7 N -1.61 5.30 -0.12 1.48 2.96 -1.26 -1.67 118.68 123.76 2k8r s LEU 7 Ca -0.11 -2.76 -0.24 0.00 -0.22 0.00 0.00 54.13 50.81 2k8r s LEU 7 Cb -0.05 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2k8r s LEU 7 CO 0.00 -0.40 0.73 -0.47 -1.32 0.00 0.00 176.35 174.90 2k8r s TYR 8 N 0.08 3.50 -0.16 5.38 5.04 0.34 -4.48 117.35 127.05 2k8r s TYR 8 Ca 0.16 1.20 -0.04 0.00 -2.44 0.00 0.00 57.07 55.95 2k8r s TYR 8 Cb -0.20 -2.87 -0.03 0.00 0.35 0.00 0.00 41.96 39.21 2k8r s TYR 8 CO -0.04 -0.05 -0.03 0.00 -1.34 0.00 0.00 175.55 174.10 2k8r s SER 10 N 0.34 6.24 -0.04 0.00 0.15 -1.17 -4.56 113.70 114.66 2k8r s SER 10 Ca -0.03 -1.51 0.18 0.00 0.70 0.00 0.00 55.95 55.28 2k8r s SER 10 Cb -0.14 -2.57 0.31 0.00 -1.71 0.00 0.00 66.02 61.91 2k8r s SER 10 CO 0.03 -1.75 1.13 -3.20 1.20 0.00 0.00 173.24 170.65 2k8r n ASN 11 N 10.01 0.35 -2.27 5.45 4.05 -1.26 -4.57 115.26 127.02 2k8r n ASN 11 Ca 0.38 -2.01 -0.04 0.00 0.45 0.00 0.00 54.58 53.35 2k8r n ASN 11 Cb 0.49 -0.09 0.01 0.00 1.23 0.00 0.00 39.78 41.41 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 0.14 -1.17 0.00 8.20 0.00 -1.26 -4.89 105.19 106.20 2k8r n GLY 12 Ca -0.05 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.35 0.63 3.16 -0.02 0.00 -1.26 -5.07 105.19 102.28 2k8r n GLY 13 Ca 0.07 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.17 1.48 -0.04 1.61 3.76 -1.26 -4.93 115.29 112.75 2k8r s HIS 14 Ca 0.00 -0.30 0.01 0.00 -0.15 0.00 0.00 55.06 54.62 2k8r s HIS 14 Cb 0.00 -0.94 0.02 0.00 1.11 0.00 0.00 32.58 32.78 2k8r s HIS 14 CO 0.00 -0.00 -0.02 -0.06 -0.85 0.00 0.00 174.74 173.81 2k8r s PHE 15 N -0.50 0.51 0.00 1.40 0.40 -0.93 0.45 117.98 119.31 2k8r s PHE 15 Ca 0.06 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 2k8r s PHE 15 Cb -0.07 -0.54 0.00 0.00 0.51 0.00 0.00 43.02 42.92 2k8r s PHE 15 CO -0.00 -0.17 0.00 1.47 0.70 0.00 0.00 175.22 177.22 2k8r n LEU 16 N 4.18 0.00 -4.13 -0.37 -0.00 -1.19 -4.21 117.00 111.28 2k8r n LEU 16 Ca -0.24 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.52 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 0.22 0.00 -0.49 -0.60 -0.00 0.00 0.00 177.39 176.51 2k8r s ARG 17 N 0.00 1.59 -0.07 1.47 3.52 -0.94 -3.30 118.95 121.21 2k8r s ARG 17 Ca 0.00 -0.58 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 2k8r s ARG 17 Cb 0.00 -1.43 0.01 0.00 -1.56 0.00 0.00 34.95 31.97 2k8r s ARG 17 CO 0.00 0.26 -0.15 -1.50 -0.81 0.00 0.00 175.30 173.10 2k8r s ILE 18 N -0.06 1.34 -0.16 4.11 1.10 -1.26 0.29 121.20 126.56 2k8r s ILE 18 Ca -0.01 -0.60 -0.17 0.00 -0.51 0.00 0.00 60.65 59.36 2k8r s ILE 18 Cb -0.10 -1.21 -0.04 0.00 0.15 0.00 0.00 42.46 41.26 2k8r s ILE 18 CO 0.01 0.40 0.44 -0.76 -2.11 0.00 0.00 174.94 172.93 2k8r s LEU 19 N 0.62 4.21 0.57 8.50 2.01 0.54 -4.84 118.68 130.30 2k8r s LEU 19 Ca -0.15 0.67 0.35 0.00 0.01 0.00 0.00 54.13 55.01 2k8r s LEU 19 Cb -0.16 -2.61 1.46 0.00 0.01 0.00 0.00 46.19 44.88 2k8r s LEU 19 CO 0.04 -0.04 1.70 1.55 1.01 0.00 0.00 176.35 180.62 2k8r h PRO 20 N 7.03 0.00 0.00 1.29 0.13 -1.86 0.58 132.00 139.17 2k8r h PRO 20 Ca -0.38 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 2k8r h PRO 20 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k8r h PRO 20 CO 0.74 0.00 -0.11 -0.44 -0.23 0.00 0.00 178.00 177.96 2k8r h ASP 21 N 0.00 0.00 0.00 1.44 3.32 -1.93 -3.42 116.42 115.83 2k8r h ASP 21 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 2k8r h ASP 21 Cb 2.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.92 2k8r h ASP 21 CO -0.01 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.24 2k8r n GLY 22 N -0.88 0.50 3.63 2.75 0.00 0.20 -4.92 105.19 106.47 2k8r n GLY 22 Ca -0.02 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.29 0.00 -0.07 2.61 2.01 -1.01 -4.57 115.64 114.32 2k8r s THR 23 Ca 0.00 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2k8r s THR 23 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2k8r s THR 23 CO 0.00 0.00 -0.09 0.54 -0.69 0.00 0.00 174.62 174.38 2k8r s VAL 24 N 0.77 3.53 0.16 3.82 0.11 -1.26 0.20 120.40 127.74 2k8r s VAL 24 Ca -0.03 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.49 2k8r s VAL 24 Cb -0.05 -2.44 -0.00 0.00 -1.53 0.00 0.00 36.38 32.36 2k8r s VAL 24 CO -0.06 0.59 0.19 -0.90 -3.33 0.00 0.00 175.10 171.59 2k8r n ASP 25 N 2.35 -0.52 -4.80 3.54 5.75 0.15 -4.42 116.55 118.60 2k8r n ASP 25 Ca -0.18 -1.94 -0.34 0.00 -0.01 0.00 0.00 54.79 52.33 2k8r n ASP 25 Cb 0.53 1.03 -0.01 0.00 -1.03 0.00 0.00 41.12 41.64 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 -2.04 2.38 -0.23 6.12 0.00 -1.26 -2.22 107.32 110.06 2k8r s GLY 26 Ca 0.16 0.55 -0.30 0.00 0.00 0.00 0.00 44.72 45.13 2k8r s GLY 26 CO 0.11 0.87 1.23 -1.59 0.00 0.00 0.00 173.10 173.72 2k8r s THR 27 N -2.14 0.00 -0.22 0.90 2.01 0.17 -4.65 115.64 111.71 2k8r s THR 27 Ca 0.67 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.67 2k8r s THR 27 Cb -0.17 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.37 2k8r s THR 27 CO 0.27 0.00 -0.13 0.00 -0.69 0.00 0.00 174.62 174.07 2k8r s ARG 28 N -1.22 2.78 0.26 4.92 1.70 -1.26 -2.20 118.95 123.93 2k8r s ARG 28 Ca 0.06 -0.99 0.03 0.00 -0.47 0.00 0.00 55.73 54.35 2k8r s ARG 28 Cb -0.01 -2.79 -0.04 0.00 -0.57 0.00 0.00 34.95 31.55 2k8r s ARG 28 CO -0.05 -0.35 0.20 0.34 -1.08 0.00 0.00 175.30 174.36 2k8r s ASP 29 N 1.26 0.84 -1.23 -2.89 -1.08 -1.26 -5.07 116.67 107.24 2k8r s ASP 29 Ca 0.00 -1.56 -0.13 0.00 -0.52 0.00 0.00 52.55 50.34 2k8r s ASP 29 Cb -0.16 0.46 0.16 0.00 -1.46 0.00 0.00 42.92 41.93 2k8r s ASP 29 CO -0.08 -0.94 1.54 -1.14 0.52 0.00 0.00 175.17 175.06 2k8r n ARG 30 N -0.43 3.39 -3.74 4.34 3.00 -1.26 -4.44 116.66 117.52 2k8r n ARG 30 Ca 0.04 -3.75 -0.23 0.00 -0.00 0.00 0.00 57.85 53.92 2k8r n ARG 30 Cb 0.64 -3.06 0.03 0.00 0.00 0.00 0.00 32.46 30.07 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 5.59 -1.79 -2.92 6.15 7.64 -1.26 -4.97 113.62 122.05 2k8r n SER 31 Ca 0.38 -0.81 -0.16 0.00 1.01 0.00 0.00 58.87 59.30 2k8r n SER 31 Cb 0.42 -4.03 -0.05 0.00 -1.01 0.00 0.00 64.21 59.54 2k8r n SER 31 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k8r n ASP 32 N -3.02 0.82 0.00 6.43 -0.08 -1.26 -4.62 116.55 114.82 2k8r n ASP 32 Ca -0.24 -2.42 0.00 0.00 -1.51 0.00 0.00 54.79 50.62 2k8r n ASP 32 Cb 0.65 0.75 0.00 0.00 2.34 0.00 0.00 41.12 44.86 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 -0.56 0.00 -0.29 -0.67 7.27 -1.26 -4.79 117.38 117.07 2k8r n GLN 33 Ca -0.02 0.00 0.27 0.00 0.07 0.00 0.00 57.00 57.32 2k8r n GLN 33 Cb 0.40 0.00 0.61 0.00 2.41 0.00 0.00 30.24 33.66 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 0.36 0.00 3.69 6.17 -1.87 -3.38 115.15 120.11 2k8r h HIS 34 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 2k8r h HIS 34 Cb 0.00 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 29.83 2k8r h HIS 34 CO 0.00 0.04 0.00 -0.89 0.71 0.00 0.00 177.93 177.79 2k8r n ILE 35 N -4.43 0.00 -3.64 6.26 5.41 -1.26 -5.04 119.36 116.66 2k8r n ILE 35 Ca 0.24 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.96 2k8r n ILE 35 Cb 0.97 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.87 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 -1.00 0.06 -0.10 0.38 0.74 -1.26 -4.80 119.66 113.68 2k8r s GLN 36 Ca 0.00 -0.00 -0.00 0.00 0.05 0.00 0.00 55.36 55.41 2k8r s GLN 36 Cb 0.00 0.03 0.02 0.00 1.10 0.00 0.00 33.01 34.16 2k8r s GLN 36 CO 0.00 -0.02 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.49 2k8r s LEU 37 N -1.39 1.10 -0.05 3.68 0.20 -1.25 0.25 118.68 121.22 2k8r s LEU 37 Ca 0.10 -0.25 0.05 0.00 0.69 0.00 0.00 54.13 54.72 2k8r s LEU 37 Cb -0.01 -0.74 -0.02 0.00 -0.43 0.00 0.00 46.19 44.99 2k8r s LEU 37 CO -0.06 -0.12 -0.18 -1.10 -0.29 0.00 0.00 176.35 174.60 2k8r s GLN 38 N 1.64 2.47 -0.23 1.98 -0.21 0.37 0.66 119.66 126.35 2k8r s GLN 38 Ca 0.03 -0.76 -0.03 0.00 0.02 0.00 0.00 55.36 54.61 2k8r s GLN 38 Cb -0.13 -2.30 0.12 0.00 1.00 0.00 0.00 33.01 31.70 2k8r s GLN 38 CO -0.06 0.57 0.35 -1.17 -2.12 0.00 0.00 175.29 172.86 2k8r s LEU 39 N -0.60 -0.55 0.00 2.90 0.20 -1.25 0.14 118.68 119.52 2k8r s LEU 39 Ca 0.09 0.23 0.00 0.00 0.69 0.00 0.00 54.13 55.13 2k8r s LEU 39 Cb -0.11 1.01 0.00 0.00 -0.43 0.00 0.00 46.19 46.66 2k8r s LEU 39 CO 0.01 -0.30 0.00 -1.20 -0.29 0.00 0.00 176.35 174.57 2k8r n SER 40 N 5.36 0.00 0.00 3.68 7.64 -1.18 -4.03 113.62 125.09 2k8r n SER 40 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2k8r n SER 40 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.66 -0.43 0.00 -1.26 -3.45 120.51 114.71 2k8r n ALA 41 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2k8r n ALA 41 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 2k8r n ALA 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k8r n GLU 42 N 0.00 -0.81 -1.28 0.00 -0.58 -1.26 -4.99 120.64 111.72 2k8r n GLU 42 Ca 0.00 -0.18 -0.29 0.00 -0.42 0.00 0.00 57.16 56.27 2k8r n GLU 42 Cb 0.00 -2.22 0.17 0.00 -0.57 0.00 0.00 31.44 28.82 2k8r n GLU 42 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2k8r s SER 43 N -2.45 2.83 -0.34 1.62 1.04 -1.26 -4.81 113.70 110.33 2k8r s SER 43 Ca 0.65 1.10 -0.41 0.00 0.48 0.00 0.00 55.95 57.76 2k8r s SER 43 Cb -0.23 -1.73 -0.16 0.00 0.10 0.00 0.00 66.02 64.00 2k8r s SER 43 CO 0.61 -2.99 1.77 0.55 0.98 0.00 0.00 173.24 174.16 2k8r n VAL 44 N -4.07 0.23 0.00 5.02 3.14 -1.26 -0.65 118.33 120.73 2k8r n VAL 44 Ca 0.05 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2k8r n VAL 44 Cb 0.58 -1.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.28 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 4.52 2.97 3.76 7.55 0.00 -1.26 -5.03 105.19 117.71 2k8r n GLY 45 Ca 0.30 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 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 4.57 -0.01 1.61 2.02 0.18 -2.30 118.70 124.76 2k8r s GLU 46 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 54.97 56.65 2k8r s GLU 46 Cb 0.00 -3.04 0.01 0.00 0.10 0.00 0.00 34.13 31.20 2k8r s GLU 46 CO 0.00 0.19 0.00 0.14 0.02 0.00 0.00 175.26 175.61 2k8r s VAL 47 N -1.30 0.05 -0.39 2.63 -7.23 0.50 -4.07 120.40 110.58 2k8r s VAL 47 Ca 0.47 0.03 -0.10 0.00 -1.81 0.00 0.00 61.98 60.57 2k8r s VAL 47 Cb -0.28 -0.08 0.05 0.00 0.56 0.00 0.00 36.38 36.63 2k8r s VAL 47 CO 0.35 0.04 0.22 -0.47 -0.31 0.00 0.00 175.10 174.93 2k8r s TYR 48 N 0.29 3.28 -0.17 2.82 5.04 -1.22 -2.06 117.35 125.33 2k8r s TYR 48 Ca -0.02 -1.22 -0.23 0.00 -2.44 0.00 0.00 57.07 53.16 2k8r s TYR 48 Cb -0.04 -2.61 -0.02 0.00 0.35 0.00 0.00 41.96 39.64 2k8r s TYR 48 CO -0.01 -0.73 0.72 0.42 -1.34 0.00 0.00 175.55 174.61 2k8r s ILE 49 N 1.49 4.97 -0.20 3.14 1.01 -1.26 -3.10 121.20 127.25 2k8r s ILE 49 Ca 0.02 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.07 2k8r s ILE 49 Cb -0.21 -4.03 0.05 0.00 0.01 0.00 0.00 42.46 38.28 2k8r s ILE 49 CO 0.05 0.10 -0.07 -0.75 0.00 0.00 0.00 174.94 174.26 2k8r s LYS 50 N 1.82 1.74 -0.24 2.79 2.47 0.36 -4.18 119.74 124.50 2k8r s LYS 50 Ca 0.34 -0.77 -0.10 0.00 -1.56 0.00 0.00 55.97 53.88 2k8r s LYS 50 Cb -0.16 -2.33 -0.05 0.00 -1.46 0.00 0.00 37.83 33.83 2k8r s LYS 50 CO 0.12 -0.47 0.14 -1.12 0.16 0.00 0.00 175.35 174.18 2k8r s SER 51 N 1.47 5.89 0.05 1.43 0.01 -1.26 0.14 113.70 121.43 2k8r s SER 51 Ca -0.02 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2k8r s SER 51 Cb -0.17 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2k8r s SER 51 CO -0.08 0.03 0.00 0.41 0.41 0.00 0.00 173.24 174.02 2k8r n THR 52 N 4.49 -3.77 -0.35 1.44 -1.04 0.69 -3.82 114.28 111.93 2k8r n THR 52 Ca -0.15 0.65 0.09 0.00 -2.04 0.00 0.00 64.05 62.60 2k8r n THR 52 Cb 0.52 -2.43 0.19 0.00 -1.82 0.00 0.00 70.33 66.79 2k8r n THR 52 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k8r n GLU 53 N 0.22 -0.08 -3.69 -2.82 4.07 -1.26 -4.44 120.64 112.64 2k8r n GLU 53 Ca 0.00 1.50 -0.10 0.00 -0.06 0.00 0.00 57.16 58.50 2k8r n GLU 53 Cb 0.00 -2.29 -0.10 0.00 -0.06 0.00 0.00 31.44 28.99 2k8r n GLU 53 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2k8r s THR 54 N -6.14 -0.02 0.00 6.31 -4.23 -1.26 -4.94 115.64 105.35 2k8r s THR 54 Ca -0.14 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2k8r s THR 54 Cb 0.27 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.43 2k8r s THR 54 CO 0.76 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.48 2k8r n GLY 55 N 4.02 0.81 3.45 3.99 0.00 -1.26 -5.11 105.19 111.08 2k8r n GLY 55 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 1.60 -0.13 1.61 -1.52 -1.25 -4.46 119.66 115.51 2k8r s GLN 56 Ca 0.00 -1.75 -0.06 0.00 -1.95 0.00 0.00 55.36 51.59 2k8r s GLN 56 Cb 0.00 -1.54 0.05 0.00 -0.22 0.00 0.00 33.01 31.31 2k8r s GLN 56 CO 0.00 0.24 0.30 -0.47 -0.25 0.00 0.00 175.29 175.11 2k8r s TYR 57 N -2.69 -0.44 -0.20 0.91 5.04 -1.23 -4.50 117.35 114.25 2k8r s TYR 57 Ca 0.28 0.98 -0.20 0.00 -2.44 0.00 0.00 57.07 55.69 2k8r s TYR 57 Cb -0.02 0.12 -0.03 0.00 0.35 0.00 0.00 41.96 42.38 2k8r s TYR 57 CO 0.13 -0.29 0.61 -1.17 -1.34 0.00 0.00 175.55 173.49 2k8r s LEU 58 N 1.45 4.14 0.01 6.97 1.98 -1.26 0.11 118.68 132.09 2k8r s LEU 58 Ca -0.08 0.80 -0.06 0.00 -2.89 0.00 0.00 54.13 51.90 2k8r s LEU 58 Cb -0.10 -2.86 -0.00 0.00 0.66 0.00 0.00 46.19 43.89 2k8r s LEU 58 CO -0.10 -0.26 0.11 0.00 -1.89 0.00 0.00 176.35 174.21 2k8r s ALA 59 N 1.88 -0.21 0.34 5.97 0.00 0.40 -4.52 121.76 125.61 2k8r s ALA 59 Ca 0.28 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.90 2k8r s ALA 59 Cb -0.16 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 2k8r s ALA 59 CO 0.10 -0.23 0.61 0.00 0.00 0.00 0.00 175.76 176.24 2k8r s MET 60 N -1.73 3.61 0.13 0.00 0.23 -1.20 -0.87 119.30 119.47 2k8r s MET 60 Ca -0.12 0.04 0.02 0.00 -1.03 0.00 0.00 55.69 54.60 2k8r s MET 60 Cb -0.06 -2.58 -0.04 0.00 -1.53 0.00 0.00 34.83 30.62 2k8r s MET 60 CO -0.00 0.11 0.23 0.34 -2.03 0.00 0.00 175.02 173.67 2k8r s ASP 61 N -3.44 6.17 0.23 -1.18 2.15 0.27 -4.91 116.67 115.96 2k8r s ASP 61 Ca 0.45 0.14 -0.06 0.00 0.43 0.00 0.00 52.55 53.51 2k8r s ASP 61 Cb -0.10 -1.82 0.36 0.00 -0.30 0.00 0.00 42.92 41.06 2k8r s ASP 61 CO 0.33 0.09 1.79 0.74 -0.17 0.00 0.00 175.17 177.95 2k8r h THR 62 N 1.86 0.86 0.39 1.71 2.02 -1.99 -3.15 112.91 114.61 2k8r h THR 62 Ca -0.47 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 2k8r h THR 62 Cb 1.19 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2k8r h THR 62 CO 0.69 0.12 -0.19 -0.78 0.37 0.00 0.00 175.52 175.73 2k8r h ASP 63 N 0.66 -0.45 0.00 4.18 1.82 -2.02 -3.47 116.42 117.14 2k8r h ASP 63 Ca 0.37 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.03 2k8r h ASP 63 Cb 0.38 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.51 2k8r h ASP 63 CO -0.27 -0.23 0.00 0.61 -1.61 0.00 0.00 179.24 177.75 2k8r n GLY 64 N -0.33 0.00 3.30 -0.78 0.00 -1.19 -4.23 105.19 101.96 2k8r n GLY 64 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 2.40 -0.13 0.99 1.98 -1.26 -1.62 118.68 121.04 2k8r s LEU 65 Ca 0.00 -0.81 -0.01 0.00 -2.89 0.00 0.00 54.13 50.42 2k8r s LEU 65 Cb 0.00 -0.78 -0.02 0.00 0.66 0.00 0.00 46.19 46.05 2k8r s LEU 65 CO 0.00 -0.04 -0.09 -0.76 -1.89 0.00 0.00 176.35 173.58 2k8r s LEU 66 N -2.44 2.99 0.07 -0.68 1.02 -1.26 0.94 118.68 119.31 2k8r s LEU 66 Ca 0.12 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.07 2k8r s LEU 66 Cb -0.07 -1.69 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 2k8r s LEU 66 CO 0.05 0.20 -0.05 -0.72 0.02 0.00 0.00 176.35 175.85 2k8r s TYR 67 N 0.16 0.68 -0.31 0.29 -0.85 -0.05 -4.39 117.35 112.87 2k8r s TYR 67 Ca -0.04 -0.92 0.03 0.00 -0.52 0.00 0.00 57.07 55.61 2k8r s TYR 67 Cb -0.14 -0.43 0.09 0.00 0.38 0.00 0.00 41.96 41.85 2k8r s TYR 67 CO 0.04 -0.25 0.00 0.20 -1.52 0.00 0.00 175.55 174.02 2k8r s GLY 68 N -2.78 1.84 -0.04 5.49 0.00 -1.26 -0.46 107.32 110.12 2k8r s GLY 68 Ca 0.06 -2.25 -0.25 0.00 0.00 0.00 0.00 44.72 42.28 2k8r s GLY 68 CO -0.06 0.82 0.54 -0.56 0.00 0.00 0.00 173.10 173.84 2k8r s SER 69 N 1.02 -0.48 -0.67 1.64 0.01 0.31 -3.75 113.70 111.78 2k8r s SER 69 Ca 0.04 0.48 -0.26 0.00 1.31 0.00 0.00 55.95 57.52 2k8r s SER 69 Cb -0.20 0.46 -0.06 0.00 0.21 0.00 0.00 66.02 66.44 2k8r s SER 69 CO -0.07 -0.54 2.12 -1.58 0.41 0.00 0.00 173.24 173.59 2k8r s GLN 70 N -1.22 2.29 -0.29 12.44 -0.44 -1.26 -3.52 119.66 127.67 2k8r s GLN 70 Ca -0.12 0.63 0.04 0.00 -2.50 0.00 0.00 55.36 53.41 2k8r s GLN 70 Cb -0.02 -4.65 0.19 0.00 -1.64 0.00 0.00 33.01 26.89 2k8r s GLN 70 CO 0.08 -3.30 0.56 0.99 0.50 0.00 0.00 175.29 174.11 2k8r s THR 71 N 11.10 -0.93 0.02 -0.34 2.01 -1.26 -5.01 115.64 121.22 2k8r s THR 71 Ca 0.80 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.45 2k8r s THR 71 Cb -0.13 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 2k8r s THR 71 CO 0.16 -0.05 1.23 -2.16 -0.69 0.00 0.00 174.62 173.11 2k8r s PRO 72 N 2.78 4.39 -0.17 4.92 0.04 -1.26 -4.93 135.00 140.77 2k8r s PRO 72 Ca 0.11 1.77 -0.34 0.00 0.04 0.00 0.00 61.00 62.59 2k8r s PRO 72 Cb -0.11 -3.44 0.14 0.00 0.04 0.00 0.00 34.50 31.12 2k8r s PRO 72 CO -0.26 -0.36 1.16 1.21 0.04 0.00 0.00 177.00 178.79 2k8r s ASN 73 N 1.30 -0.18 0.60 6.66 3.84 -1.26 -5.01 114.94 120.89 2k8r s ASN 73 Ca 0.59 0.02 0.29 0.00 0.21 0.00 0.00 52.86 53.97 2k8r s ASN 73 Cb -0.28 0.18 1.56 0.00 -0.55 0.00 0.00 41.25 42.16 2k8r s ASN 73 CO 0.27 -0.28 1.97 -0.33 -2.79 0.00 0.00 177.10 175.94 2k8r h GLU 74 N 2.03 0.00 0.00 0.43 5.08 -1.99 -0.22 114.58 119.91 2k8r h GLU 74 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2k8r h GLU 74 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k8r h GLU 74 CO 0.24 0.00 0.14 0.93 -1.00 0.00 0.00 179.01 179.32 2k8r h GLU 75 N 0.00 0.00 -0.00 2.33 4.39 -1.95 0.15 114.58 119.50 2k8r h GLU 75 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2k8r h GLU 75 Cb 0.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2k8r h GLU 75 CO -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 179.01 177.82 2k8r s LEU 77 N -2.80 4.17 0.35 0.00 2.01 0.53 -4.12 118.68 118.82 2k8r s LEU 77 Ca 0.20 0.25 0.09 0.00 0.01 0.00 0.00 54.13 54.69 2k8r s LEU 77 Cb 0.19 -2.98 -0.07 0.00 0.01 0.00 0.00 46.19 43.35 2k8r s LEU 77 CO 0.51 -0.74 -0.08 -0.36 1.01 0.00 0.00 176.35 176.69 2k8r s PHE 78 N 3.06 2.42 -0.25 0.29 0.08 -0.87 -1.75 117.98 120.96 2k8r s PHE 78 Ca 0.30 -0.51 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 2k8r s PHE 78 Cb -0.13 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 40.92 2k8r s PHE 78 CO 0.17 0.57 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.64 2k8r s LEU 79 N -3.62 3.22 -0.34 -0.37 1.98 0.22 -0.37 118.68 119.39 2k8r s LEU 79 Ca 0.33 -0.82 -0.13 0.00 -2.89 0.00 0.00 54.13 50.62 2k8r s LEU 79 Cb 0.03 -1.69 -0.02 0.00 0.66 0.00 0.00 46.19 45.17 2k8r s LEU 79 CO 0.17 -0.13 0.25 -0.70 -1.89 0.00 0.00 176.35 174.05 2k8r s GLU 80 N 1.35 3.53 -0.36 1.98 2.12 -0.98 -1.46 118.70 124.89 2k8r s GLU 80 Ca 0.01 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.76 2k8r s GLU 80 Cb -0.16 -3.80 0.10 0.00 0.26 0.00 0.00 34.13 30.53 2k8r s GLU 80 CO -0.04 -0.44 0.09 0.50 -0.54 0.00 0.00 175.26 174.84 2k8r s ARG 81 N 1.76 1.67 0.03 4.30 3.52 0.17 -4.73 118.95 125.67 2k8r s ARG 81 Ca 0.07 -1.84 -0.20 0.00 -0.13 0.00 0.00 55.73 53.63 2k8r s ARG 81 Cb -0.17 -3.32 -0.06 0.00 -1.56 0.00 0.00 34.95 29.84 2k8r s ARG 81 CO 0.11 -0.97 0.58 -1.17 -0.81 0.00 0.00 175.30 173.04 2k8r s LEU 82 N 0.98 4.47 -0.29 -0.88 2.96 -1.26 0.14 118.68 124.80 2k8r s LEU 82 Ca 0.09 1.21 0.10 0.00 -0.22 0.00 0.00 54.13 55.31 2k8r s LEU 82 Cb -0.20 -2.91 0.55 0.00 0.50 0.00 0.00 46.19 44.13 2k8r s LEU 82 CO -0.07 0.18 1.54 1.21 -1.32 0.00 0.00 176.35 177.89 2k8r n GLU 83 N 2.27 2.26 0.00 1.98 2.13 0.00 -4.96 120.64 124.32 2k8r n GLU 83 Ca -0.08 -3.08 0.00 0.00 0.66 0.00 0.00 57.16 54.66 2k8r n GLU 83 Cb 0.51 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 30.32 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 -0.93 0.00 -0.32 5.31 2.13 -1.26 -4.72 120.64 120.85 2k8r n GLU 84 Ca 0.35 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.98 2k8r n GLU 84 Cb 1.11 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.78 2k8r n GLU 84 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2k8r n ASN 85 N 0.57 1.10 -4.05 4.31 5.15 -1.26 -4.37 115.26 116.72 2k8r n ASN 85 Ca 0.00 -2.23 -0.35 0.00 -0.60 0.00 0.00 54.58 51.40 2k8r n ASN 85 Cb 0.00 -0.62 -0.07 0.00 -0.53 0.00 0.00 39.78 38.56 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 6.19 -0.98 -3.52 1.20 1.44 -1.26 -4.86 115.22 113.42 2k8r n HIS 86 Ca 0.22 0.57 -0.17 0.00 -2.01 0.00 0.00 57.72 56.33 2k8r n HIS 86 Cb 0.16 -1.67 -0.06 0.00 0.12 0.00 0.00 29.99 28.55 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 -3.06 -0.63 0.26 -1.40 -0.85 -1.26 -4.66 117.35 105.75 2k8r s TYR 87 Ca 0.60 1.06 -0.02 0.00 -0.52 0.00 0.00 57.07 58.20 2k8r s TYR 87 Cb -0.35 0.42 -0.02 0.00 0.38 0.00 0.00 41.96 42.38 2k8r s TYR 87 CO 0.86 -0.59 0.29 0.54 -1.52 0.00 0.00 175.55 175.13 2k8r s ASN 88 N -1.22 0.56 -0.02 -0.18 2.20 -0.30 -0.82 114.94 115.16 2k8r s ASN 88 Ca -0.10 -1.40 0.03 0.00 -0.94 0.00 0.00 52.86 50.45 2k8r s ASN 88 Cb -0.00 0.51 0.00 0.00 -2.00 0.00 0.00 41.25 39.76 2k8r s ASN 88 CO 0.09 -1.03 -0.10 0.42 -2.94 0.00 0.00 177.10 173.54 2k8r s THR 89 N -3.78 0.85 -0.13 0.54 -4.23 0.38 -3.70 115.64 105.57 2k8r s THR 89 Ca 0.35 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.46 2k8r s THR 89 Cb 0.03 -0.75 -0.00 0.00 1.34 0.00 0.00 72.50 73.12 2k8r s THR 89 CO 0.16 0.26 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.01 2k8r s TYR 90 N 0.10 2.70 0.07 3.99 2.02 -1.26 0.45 117.35 125.43 2k8r s TYR 90 Ca -0.02 -0.99 0.02 0.00 -0.37 0.00 0.00 57.07 55.71 2k8r s TYR 90 Cb -0.08 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 2k8r s TYR 90 CO 0.00 -0.41 -0.07 0.96 -1.57 0.00 0.00 175.55 174.46 2k8r s ILE 91 N 0.55 0.60 -0.14 2.71 -4.36 -0.53 -1.84 121.20 118.19 2k8r s ILE 91 Ca -0.11 -1.55 -0.29 0.00 -0.26 0.00 0.00 60.65 58.43 2k8r s ILE 91 Cb -0.16 -1.20 -0.03 0.00 1.25 0.00 0.00 42.46 42.32 2k8r s ILE 91 CO 0.04 -0.67 1.49 -0.44 0.24 0.00 0.00 174.94 175.60 2k8r s SER 92 N -2.39 6.71 0.03 4.36 0.01 -1.26 0.69 113.70 121.84 2k8r s SER 92 Ca 0.02 1.87 -0.28 0.00 1.31 0.00 0.00 55.95 58.87 2k8r s SER 92 Cb -0.01 -2.54 -0.17 0.00 0.21 0.00 0.00 66.02 63.52 2k8r s SER 92 CO -0.03 -0.94 1.30 0.50 0.41 0.00 0.00 173.24 174.48 2k8r h LYS 93 N 9.27 -0.72 -0.45 12.44 3.11 -1.60 -3.08 116.57 135.54 2k8r h LYS 93 Ca -0.33 0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 57.54 2k8r h LYS 93 Cb 1.14 0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 32.51 2k8r h LYS 93 CO 0.97 -0.41 0.20 -0.22 -2.81 0.00 0.00 179.45 177.18 2k8r h LYS 94 N -0.98 0.63 -1.35 1.90 3.64 -1.84 -2.67 116.57 115.91 2k8r h LYS 94 Ca -0.08 -0.08 -0.42 0.00 -1.27 0.00 0.00 60.65 58.80 2k8r h LYS 94 Cb 0.64 -0.12 -0.18 0.00 -0.41 0.00 0.00 32.23 32.15 2k8r h LYS 94 CO 0.13 0.51 0.55 0.72 -2.27 0.00 0.00 179.45 179.08 2k8r n HIS 95 N -4.38 2.03 -0.35 1.91 8.25 -1.19 -4.62 115.22 116.87 2k8r n HIS 95 Ca 0.03 -2.24 0.26 0.00 -0.26 0.00 0.00 57.72 55.52 2k8r n HIS 95 Cb 0.13 -1.08 0.55 0.00 1.12 0.00 0.00 29.99 30.71 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 1.62 2.38 -0.73 -1.41 0.00 -1.39 0.54 119.26 120.27 2k8r h ALA 96 Ca 0.39 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.47 2k8r h ALA 96 Cb 0.95 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2k8r h ALA 96 CO 0.99 -0.83 0.48 0.93 0.00 0.00 0.00 179.25 180.82 2k8r h GLU 97 N 0.31 0.58 -2.27 0.00 4.39 -1.89 -2.89 114.58 112.80 2k8r h GLU 97 Ca 0.64 -0.03 -0.61 0.00 0.34 0.00 0.00 59.36 59.70 2k8r h GLU 97 Cb 1.77 -0.13 -0.41 0.00 -0.10 0.00 0.00 28.75 29.88 2k8r h GLU 97 CO -0.31 0.38 -0.50 1.63 -1.16 0.00 0.00 179.01 179.05 2k8r n LYS 98 N -4.49 3.20 -1.96 2.33 5.02 0.19 -5.01 118.16 117.45 2k8r n LYS 98 Ca 0.12 -4.80 -0.25 0.00 -2.02 0.00 0.00 58.31 51.37 2k8r n LYS 98 Cb 0.36 -2.26 -0.07 0.00 -0.02 0.00 0.00 35.03 33.03 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 -3.05 4.68 -0.12 4.39 4.22 -1.09 -4.79 114.94 119.18 2k8r s ASN 99 Ca 0.46 -1.35 -0.04 0.00 -2.14 0.00 0.00 52.86 49.79 2k8r s ASN 99 Cb 0.23 -2.59 -0.03 0.00 1.28 0.00 0.00 41.25 40.14 2k8r s ASN 99 CO -0.10 -3.41 0.02 0.26 -2.04 0.00 0.00 177.10 171.83 2k8r s TRP 100 N 12.25 3.19 0.11 1.54 0.52 -1.26 -5.00 118.94 130.28 2k8r s TRP 100 Ca 0.72 0.10 -0.31 0.00 0.02 0.00 0.00 56.10 56.63 2k8r s TRP 100 Cb -0.03 -1.90 -0.08 0.00 -1.15 0.00 0.00 33.47 30.31 2k8r s TRP 100 CO 0.12 0.32 1.42 -0.06 0.02 0.00 0.00 176.95 178.77 2k8r s PHE 101 N -0.37 3.16 -0.19 -1.98 0.08 -1.26 -4.32 117.98 113.10 2k8r s PHE 101 Ca 0.08 0.89 -0.17 0.00 0.12 0.00 0.00 56.93 57.84 2k8r s PHE 101 Cb -0.12 -3.71 -0.04 0.00 -0.57 0.00 0.00 43.02 38.58 2k8r s PHE 101 CO 0.02 -2.54 0.47 0.14 -0.10 0.00 0.00 175.22 173.21 2k8r s VAL 102 N 1.29 5.15 -0.24 -0.44 -7.23 -0.77 -4.64 120.40 113.52 2k8r s VAL 102 Ca 0.65 0.87 -0.10 0.00 -1.81 0.00 0.00 61.98 61.59 2k8r s VAL 102 Cb -0.37 -3.80 0.09 0.00 0.56 0.00 0.00 36.38 32.86 2k8r s VAL 102 CO 0.30 0.22 0.55 -0.83 -0.31 0.00 0.00 175.10 175.03 2k8r s GLY 103 N 1.04 -0.53 0.00 2.32 0.00 -1.26 -4.70 107.32 104.19 2k8r s GLY 103 Ca 0.23 1.97 0.00 0.00 0.00 0.00 0.00 44.72 46.92 2k8r s GLY 103 CO 0.09 2.45 0.00 1.47 0.00 0.00 0.00 173.10 177.11 2k8r n LEU 104 N 4.92 0.00 -3.63 0.66 -0.00 -1.26 -1.82 117.00 115.87 2k8r n LEU 104 Ca -0.15 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.70 2k8r n LEU 104 Cb 0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.87 2k8r n LEU 104 CO 0.00 -0.45 0.29 -0.75 -0.00 0.00 0.00 177.39 176.48 2k8r s LYS 105 N -2.12 0.83 0.61 1.47 2.47 0.46 -4.69 119.74 118.78 2k8r s LYS 105 Ca 0.00 0.40 0.29 0.00 -1.56 0.00 0.00 55.97 55.10 2k8r s LYS 105 Cb 0.00 0.39 1.59 0.00 -1.46 0.00 0.00 37.83 38.35 2k8r s LYS 105 CO 0.00 -0.20 1.97 1.57 0.16 0.00 0.00 175.35 178.85 2k8r h LYS 106 N 4.06 0.00 0.00 4.03 2.10 -1.90 0.12 116.57 124.99 2k8r h LYS 106 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2k8r h LYS 106 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2k8r h LYS 106 CO 0.29 0.00 0.00 -2.95 -2.00 0.00 0.00 179.45 174.79 2k8r h ASN 107 N 0.00 0.00 -0.28 7.07 -1.07 -1.99 -3.45 115.58 115.87 2k8r h ASN 107 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.49 2k8r h ASN 107 Cb 0.83 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.08 2k8r h ASN 107 CO -0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k8r n GLY 108 N -1.00 0.81 3.43 9.14 0.00 0.42 -5.11 105.19 112.89 2k8r n GLY 108 Ca -0.02 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.91 -0.41 -0.09 1.61 0.01 -1.19 -4.96 113.70 106.76 2k8r s SER 109 Ca 0.00 -0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.04 2k8r s SER 109 Cb 0.00 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 66.77 2k8r s SER 109 CO 0.00 -0.97 -0.04 0.00 0.41 0.00 0.00 173.24 172.64 2k8r s LYS 111 N -0.67 2.33 -0.11 0.00 -0.14 -0.76 -4.81 119.74 115.59 2k8r s LYS 111 Ca 0.10 -3.21 -0.03 0.00 -1.36 0.00 0.00 55.97 51.48 2k8r s LYS 111 Cb -0.12 -3.31 -0.06 0.00 -1.68 0.00 0.00 37.83 32.66 2k8r s LYS 111 CO 0.02 -1.27 -0.12 -2.13 -0.76 0.00 0.00 175.35 171.08 2k8r n ARG 112 N 2.14 0.26 -0.03 1.68 0.00 -0.88 -4.41 116.66 115.43 2k8r n ARG 112 Ca 0.18 0.09 -0.13 0.00 -0.00 0.00 0.00 57.85 57.99 2k8r n ARG 112 Cb 0.35 -1.06 -0.11 0.00 0.00 0.00 0.00 32.46 31.65 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 0.18 -0.04 -0.00 5.14 0.00 -1.48 -3.36 103.07 103.51 2k8r h GLY 113 Ca -0.27 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2k8r h GLY 113 CO -0.11 -0.01 -0.00 -0.56 0.00 0.00 0.00 176.54 175.85 2k8r h PRO 114 N -0.79 -0.00 -0.21 4.80 0.13 -1.86 -3.43 132.00 130.63 2k8r h PRO 114 Ca -0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.25 2k8r h PRO 114 Cb 0.70 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.65 2k8r h PRO 114 CO 0.01 -0.00 -0.11 0.50 -0.23 0.00 0.00 178.00 178.16 2k8r s ARG 115 N -3.01 0.18 -0.29 0.86 3.52 -1.26 -5.14 118.95 113.82 2k8r s ARG 115 Ca -0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 55.73 55.39 2k8r s ARG 115 Cb 0.00 0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 2k8r s ARG 115 CO 0.00 -0.25 0.39 -0.08 -0.81 0.00 0.00 175.30 174.55 2k8r s THR 116 N 1.94 5.15 0.00 4.11 -1.32 -1.26 -4.52 115.64 119.75 2k8r s THR 116 Ca 0.15 0.48 0.00 0.00 -1.21 0.00 0.00 61.69 61.11 2k8r s THR 116 Cb 0.03 -3.75 0.00 0.00 -1.51 0.00 0.00 72.50 67.28 2k8r s THR 116 CO -0.15 0.08 0.00 1.41 -2.21 0.00 0.00 174.62 173.75 2k8r n HIS 117 N 5.39 0.00 -3.12 9.09 -0.00 -1.26 -4.76 115.22 120.55 2k8r n HIS 117 Ca -0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.32 2k8r n HIS 117 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.44 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 3.39 0.02 4.41 1.51 -1.26 -4.87 117.35 120.55 2k8r s TYR 118 Ca 0.00 1.14 0.00 0.00 -1.01 0.00 0.00 57.07 57.20 2k8r s TYR 118 Cb 0.00 -2.48 0.00 0.00 -0.11 0.00 0.00 41.96 39.37 2k8r s TYR 118 CO 0.00 0.08 0.00 0.41 -1.11 0.00 0.00 175.55 174.93 2k8r n GLY 119 N -0.50 -3.79 0.42 0.71 0.00 -1.26 -4.34 105.19 96.42 2k8r n GLY 119 Ca 0.03 -0.70 0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 0.47 0.26 0.00 1.61 4.20 -1.93 0.59 115.11 120.31 2k8r h GLN 120 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2k8r h GLN 120 Cb 0.00 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2k8r h GLN 120 CO 0.00 0.17 0.35 1.57 -0.67 0.00 0.00 178.83 180.25 2k8r h LYS 121 N 0.27 0.00 0.00 1.46 5.09 -1.86 0.70 116.57 122.23 2k8r h LYS 121 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.44 2k8r h LYS 121 Cb 1.93 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.26 2k8r h LYS 121 CO -0.39 0.00 -0.63 0.00 -2.09 0.00 0.00 179.45 176.34 2k8r h ALA 122 N 1.29 0.67 -0.63 0.07 0.00 0.00 -3.39 119.26 117.28 2k8r h ALA 122 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 2k8r h ALA 122 Cb 0.70 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.14 2k8r h ALA 122 CO 0.00 0.00 -1.00 -0.89 0.00 0.00 0.00 179.25 177.36 2k8r n ILE 123 N -2.74 0.89 -3.23 0.00 -0.00 0.21 -4.65 119.36 109.84 2k8r n ILE 123 Ca 0.02 -2.67 -0.14 0.00 -0.00 0.00 0.00 62.75 59.95 2k8r n ILE 123 Cb 0.53 0.93 -0.06 0.00 -0.00 0.00 0.00 39.64 41.05 2k8r n ILE 123 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 2k8r s LEU 124 N -3.42 -0.24 -0.02 1.39 2.96 0.88 -4.88 118.68 115.34 2k8r s LEU 124 Ca 0.25 -1.80 0.05 0.00 -0.22 0.00 0.00 54.13 52.41 2k8r s LEU 124 Cb 0.41 0.81 -0.01 0.00 0.50 0.00 0.00 46.19 47.90 2k8r s LEU 124 CO -0.01 -0.19 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.30 2k8r s PHE 125 N 1.11 1.56 -0.39 5.38 0.08 -1.24 -3.04 117.98 121.44 2k8r s PHE 125 Ca 0.22 -0.35 -0.00 0.00 0.12 0.00 0.00 56.93 56.93 2k8r s PHE 125 Cb -0.08 -1.02 0.11 0.00 -0.57 0.00 0.00 43.02 41.46 2k8r s PHE 125 CO -0.07 -0.07 0.15 -1.17 -0.10 0.00 0.00 175.22 173.97 2k8r s LEU 126 N -0.25 5.05 0.14 -0.37 2.96 0.50 -1.15 118.68 125.57 2k8r s LEU 126 Ca 0.03 -2.12 -0.03 0.00 -0.22 0.00 0.00 54.13 51.80 2k8r s LEU 126 Cb -0.08 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2k8r s LEU 126 CO 0.00 -0.47 0.35 -2.16 -1.32 0.00 0.00 176.35 172.75 2k8r s PRO 127 N 1.00 3.56 0.35 0.98 0.04 -1.26 -0.50 135.00 139.16 2k8r s PRO 127 Ca 0.10 -0.22 -0.28 0.00 0.04 0.00 0.00 61.00 60.63 2k8r s PRO 127 Cb -0.21 -2.88 -0.12 0.00 0.04 0.00 0.00 34.50 31.33 2k8r s PRO 127 CO -0.06 0.47 1.35 -0.11 0.04 0.00 0.00 177.00 178.70 2k8r n LEU 128 N -0.08 3.91 -0.29 -3.56 7.94 -0.67 -4.84 117.00 119.40 2k8r n LEU 128 Ca -0.03 1.21 0.34 0.00 -1.11 0.00 0.00 56.01 56.42 2k8r n LEU 128 Cb 0.52 -1.52 0.74 0.00 0.53 0.00 0.00 43.42 43.68 2k8r n LEU 128 CO 0.49 -0.30 1.32 -0.65 -1.11 0.00 0.00 177.39 177.14 2k8r h PRO 129 N 2.67 0.00 -6.18 1.96 0.11 -1.97 -3.41 132.00 125.18 2k8r h PRO 129 Ca -0.47 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.03 2k8r h PRO 129 Cb 1.27 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.39 2k8r h PRO 129 CO 0.63 0.00 1.25 1.33 -0.21 0.00 0.00 178.00 181.00 2k8r n VAL 130 N -4.06 0.50 -3.64 3.15 0.24 -1.26 -4.89 118.33 108.36 2k8r n VAL 130 Ca 0.25 -0.20 -0.02 0.00 -2.04 0.00 0.00 64.34 62.32 2k8r n VAL 130 Cb 1.24 -2.03 -0.02 0.00 -1.47 0.00 0.00 33.84 31.57 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 5.50 -0.01 0.29 -1.34 0.01 -1.26 -4.80 113.70 112.09 2k8r s SER 131 Ca 0.97 -0.00 -0.30 0.00 1.31 0.00 0.00 55.95 57.93 2k8r s SER 131 Cb -0.62 0.01 -0.11 0.00 0.21 0.00 0.00 66.02 65.51 2k8r s SER 131 CO 0.47 -0.02 1.55 -0.44 0.41 0.00 0.00 173.24 175.20 2k8r s SER 132 N -2.06 6.45 0.00 2.44 0.01 -1.26 -4.97 113.70 114.31 2k8r s SER 132 Ca 0.12 2.88 0.00 0.00 1.31 0.00 0.00 55.95 60.26 2k8r s SER 132 Cb -0.01 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2k8r s SER 132 CO -0.02 -0.85 0.34 -0.67 0.41 0.00 0.00 173.24 172.44