#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 3.15 0.01 -3.48 0.00 -1.26 -4.63 119.74 113.53 2k8r s LYS 2 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 55.97 55.03 2k8r s LYS 2 Cb 0.00 -4.09 0.02 0.00 0.00 0.00 0.00 37.83 33.76 2k8r s LYS 2 CO 0.00 -1.22 0.26 0.15 0.00 0.00 0.00 175.35 174.54 2k8r s LYS 3 N 2.73 0.69 -0.71 1.78 1.02 -1.26 -5.09 119.74 118.89 2k8r s LYS 3 Ca 0.17 -0.39 -0.25 0.00 0.02 0.00 0.00 55.97 55.52 2k8r s LYS 3 Cb -0.18 0.30 -0.14 0.00 -0.52 0.00 0.00 37.83 37.28 2k8r s LYS 3 CO 0.13 -0.20 2.44 -2.30 -0.92 0.00 0.00 175.35 174.50 2k8r n PRO 4 N 1.00 0.62 -3.26 -1.68 -0.02 -1.26 -4.47 135.00 125.94 2k8r n PRO 4 Ca -0.20 -0.25 -0.21 0.00 -2.02 0.00 0.00 63.50 60.81 2k8r n PRO 4 Cb 0.57 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 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 8.46 3.13 0.07 -0.52 2.20 0.23 -4.69 119.74 128.61 2k8r s LYS 5 Ca 1.06 -0.71 -0.05 0.00 -0.36 0.00 0.00 55.97 55.91 2k8r s LYS 5 Cb -0.41 -2.69 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 2k8r s LYS 5 CO 0.28 -0.08 0.10 -0.48 -0.36 0.00 0.00 175.35 174.81 2k8r s LEU 6 N -4.36 1.86 -0.55 5.43 2.34 -1.26 -3.62 118.68 118.53 2k8r s LEU 6 Ca 0.46 -0.75 0.03 0.00 0.06 0.00 0.00 54.13 53.93 2k8r s LEU 6 Cb -0.10 0.67 0.14 0.00 -0.56 0.00 0.00 46.19 46.34 2k8r s LEU 6 CO 0.35 -0.64 0.30 -0.22 -1.06 0.00 0.00 176.35 175.08 2k8r s LEU 7 N -2.74 4.48 -0.30 1.48 2.96 -1.26 -2.48 118.68 120.81 2k8r s LEU 7 Ca 0.04 -3.05 -0.26 0.00 -0.22 0.00 0.00 54.13 50.64 2k8r s LEU 7 Cb 0.05 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 45.07 2k8r s LEU 7 CO -0.09 -0.24 0.89 -0.47 -1.32 0.00 0.00 176.35 175.12 2k8r s TYR 8 N -0.35 3.20 -0.28 5.38 6.14 0.11 -4.46 117.35 127.09 2k8r s TYR 8 Ca 0.18 1.00 -0.15 0.00 0.64 0.00 0.00 57.07 58.74 2k8r s TYR 8 Cb -0.24 -3.35 -0.03 0.00 0.42 0.00 0.00 41.96 38.76 2k8r s TYR 8 CO -0.01 -0.61 0.36 0.00 0.64 0.00 0.00 175.55 175.93 2k8r n SER 10 N 5.33 4.70 -0.81 0.00 2.88 -1.08 -4.19 113.62 120.45 2k8r n SER 10 Ca -0.09 -2.51 0.05 0.00 -1.33 0.00 0.00 58.87 54.99 2k8r n SER 10 Cb 0.51 -1.23 0.11 0.00 -0.75 0.00 0.00 64.21 62.85 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 5.22 1.38 -0.75 -3.46 4.05 -1.26 -4.65 115.26 115.78 2k8r n ASN 11 Ca 0.52 -2.96 0.00 0.00 0.45 0.00 0.00 54.58 52.59 2k8r n ASN 11 Cb 0.25 -0.40 0.00 0.00 1.23 0.00 0.00 39.78 40.85 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 -0.51 -3.24 0.00 8.20 0.00 -1.26 -4.91 105.19 103.47 2k8r n GLY 12 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.01 0.13 2.95 -0.02 0.00 -1.26 -4.93 105.19 102.06 2k8r n GLY 13 Ca 0.00 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 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 0.26 -0.04 1.61 3.76 -1.26 -4.97 115.29 114.66 2k8r s HIS 14 Ca 0.00 -0.24 -0.01 0.00 -0.15 0.00 0.00 55.06 54.66 2k8r s HIS 14 Cb 0.00 -0.17 0.03 0.00 1.11 0.00 0.00 32.58 33.55 2k8r s HIS 14 CO 0.00 -0.07 0.03 -0.06 -0.85 0.00 0.00 174.74 173.79 2k8r s PHE 15 N -0.65 0.22 0.00 1.40 0.40 -0.93 -0.19 117.98 118.23 2k8r s PHE 15 Ca -0.06 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 2k8r s PHE 15 Cb -0.05 -0.44 0.00 0.00 0.51 0.00 0.00 43.02 43.04 2k8r s PHE 15 CO -0.00 -0.16 0.00 1.47 0.70 0.00 0.00 175.22 177.22 2k8r n LEU 16 N 4.63 0.00 -3.85 -0.37 -0.00 -1.22 -4.06 117.00 112.13 2k8r n LEU 16 Ca -0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.68 2k8r n LEU 16 Cb 0.50 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.77 2k8r n LEU 16 CO 0.16 0.00 -0.37 -0.60 -0.00 0.00 0.00 177.39 176.58 2k8r s ARG 17 N 0.00 0.21 -0.06 1.47 3.52 -1.18 -2.28 118.95 120.63 2k8r s ARG 17 Ca 0.00 0.02 0.04 0.00 -0.13 0.00 0.00 55.73 55.67 2k8r s ARG 17 Cb 0.00 -0.32 -0.00 0.00 -1.56 0.00 0.00 34.95 33.07 2k8r s ARG 17 CO 0.00 -0.06 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.73 2k8r s ILE 18 N 0.57 1.65 -0.17 4.11 1.10 -1.26 -0.43 121.20 126.77 2k8r s ILE 18 Ca -0.05 -0.82 -0.16 0.00 -0.51 0.00 0.00 60.65 59.11 2k8r s ILE 18 Cb -0.08 -1.42 -0.04 0.00 0.15 0.00 0.00 42.46 41.06 2k8r s ILE 18 CO -0.01 0.47 0.38 -0.76 -2.11 0.00 0.00 174.94 172.91 2k8r s LEU 19 N 0.14 4.21 0.55 8.50 2.01 0.53 -4.82 118.68 129.81 2k8r s LEU 19 Ca -0.08 0.59 0.40 0.00 0.01 0.00 0.00 54.13 55.04 2k8r s LEU 19 Cb -0.14 -2.51 1.59 0.00 0.01 0.00 0.00 46.19 45.14 2k8r s LEU 19 CO 0.04 0.00 1.75 1.55 1.01 0.00 0.00 176.35 180.70 2k8r h PRO 20 N 6.98 0.00 -0.00 1.29 0.13 -1.85 0.59 132.00 139.14 2k8r h PRO 20 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2k8r h PRO 20 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k8r h PRO 20 CO 0.74 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.07 2k8r h ASP 21 N 0.00 0.00 0.00 1.44 3.32 -1.93 -3.41 116.42 115.84 2k8r h ASP 21 Ca 0.64 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.69 2k8r h ASP 21 Cb 2.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.15 2k8r h ASP 21 CO -0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 2k8r n GLY 22 N -1.32 0.76 3.39 2.75 0.00 0.20 -4.91 105.19 106.07 2k8r n GLY 22 Ca -0.03 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.43 0.01 -0.07 2.61 2.01 -0.98 -4.44 115.64 114.35 2k8r s THR 23 Ca 0.00 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.96 2k8r s THR 23 Cb 0.00 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 2k8r s THR 23 CO 0.00 -0.03 -0.11 0.54 -0.69 0.00 0.00 174.62 174.33 2k8r s VAL 24 N -0.07 3.32 0.32 3.82 0.11 -1.26 0.20 120.40 126.83 2k8r s VAL 24 Ca -0.03 -0.61 0.05 0.00 -2.93 0.00 0.00 61.98 58.46 2k8r s VAL 24 Cb -0.03 -2.34 -0.02 0.00 -1.53 0.00 0.00 36.38 32.45 2k8r s VAL 24 CO 0.02 0.58 0.19 -0.90 -3.33 0.00 0.00 175.10 171.66 2k8r n ASP 25 N 2.52 0.20 -4.75 3.54 5.75 0.43 -4.35 116.55 119.89 2k8r n ASP 25 Ca -0.18 -2.88 -0.39 0.00 -0.01 0.00 0.00 54.79 51.33 2k8r n ASP 25 Cb 0.53 1.19 -0.05 0.00 -1.03 0.00 0.00 41.12 41.75 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 -3.07 2.63 0.21 6.12 0.00 -1.26 -3.11 107.32 108.83 2k8r s GLY 26 Ca 0.27 0.08 -0.21 0.00 0.00 0.00 0.00 44.72 44.86 2k8r s GLY 26 CO 0.19 0.92 0.62 -1.59 0.00 0.00 0.00 173.10 173.24 2k8r s THR 27 N 0.14 0.01 -0.01 0.90 2.01 0.73 -4.86 115.64 114.55 2k8r s THR 27 Ca 0.33 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.92 2k8r s THR 27 Cb -0.18 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 2k8r s THR 27 CO 0.18 -0.02 -0.19 0.00 -0.69 0.00 0.00 174.62 173.89 2k8r s ARG 28 N -3.83 1.57 0.28 4.92 1.70 -1.26 -2.19 118.95 120.15 2k8r s ARG 28 Ca 0.06 -0.70 -0.19 0.00 -0.47 0.00 0.00 55.73 54.42 2k8r s ARG 28 Cb -0.03 -1.53 0.02 0.00 -0.57 0.00 0.00 34.95 32.85 2k8r s ARG 28 CO -0.05 0.42 0.69 0.34 -1.08 0.00 0.00 175.30 175.62 2k8r s ASP 29 N -0.48 -0.21 -1.13 -2.89 -1.08 -1.26 -5.06 116.67 104.57 2k8r s ASP 29 Ca 0.07 -0.70 -0.18 0.00 -0.52 0.00 0.00 52.55 51.22 2k8r s ASP 29 Cb -0.08 0.72 -0.05 0.00 -1.46 0.00 0.00 42.92 42.05 2k8r s ASP 29 CO -0.01 -1.35 2.07 -1.14 0.52 0.00 0.00 175.17 175.27 2k8r n ARG 30 N -0.46 2.20 -3.58 4.34 3.00 -1.26 -4.18 116.66 116.72 2k8r n ARG 30 Ca -0.04 -2.26 -0.21 0.00 -0.00 0.00 0.00 57.85 55.34 2k8r n ARG 30 Cb 0.59 -3.13 0.07 0.00 0.00 0.00 0.00 32.46 30.00 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 6.93 -3.54 -3.27 6.15 7.64 -1.26 -5.00 113.62 121.27 2k8r n SER 31 Ca 0.51 -0.65 -0.19 0.00 1.01 0.00 0.00 58.87 59.55 2k8r n SER 31 Cb 0.40 -4.78 -0.05 0.00 -1.01 0.00 0.00 64.21 58.77 2k8r n SER 31 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k8r n ASP 32 N -3.05 1.08 0.00 6.43 8.00 -1.26 -4.43 116.55 123.32 2k8r n ASP 32 Ca -0.16 -2.65 0.00 0.00 0.71 0.00 0.00 54.79 52.69 2k8r n ASP 32 Cb 0.62 0.81 0.00 0.00 -0.02 0.00 0.00 41.12 42.53 2k8r n ASP 32 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2k8r n GLN 33 N -0.69 2.05 -0.34 -1.24 7.27 -1.26 -4.73 117.38 118.45 2k8r n GLN 33 Ca -0.04 0.00 0.31 0.00 0.07 0.00 0.00 57.00 57.34 2k8r n GLN 33 Cb 0.47 0.00 0.57 0.00 2.41 0.00 0.00 30.24 33.69 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 0.83 0.00 3.69 6.17 -1.77 -3.37 115.15 120.70 2k8r h HIS 34 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 2k8r h HIS 34 Cb 0.00 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 29.73 2k8r h HIS 34 CO 0.00 -0.39 0.00 -0.89 0.71 0.00 0.00 177.93 177.36 2k8r n ILE 35 N -5.17 0.00 -3.17 6.26 5.41 -1.26 -4.99 119.36 116.44 2k8r n ILE 35 Ca 0.37 0.00 0.04 0.00 1.00 0.00 0.00 62.75 64.16 2k8r n ILE 35 Cb 1.24 -0.10 -0.03 0.00 -0.71 0.00 0.00 39.64 40.04 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 -1.37 0.04 -0.09 0.38 0.74 -1.26 -4.92 119.66 113.18 2k8r s GLN 36 Ca 0.00 0.10 -0.15 0.00 0.05 0.00 0.00 55.36 55.36 2k8r s GLN 36 Cb 0.00 0.06 -0.05 0.00 1.10 0.00 0.00 33.01 34.12 2k8r s GLN 36 CO 0.00 -0.03 0.37 -1.17 -0.55 0.00 0.00 175.29 173.92 2k8r s LEU 37 N 2.42 4.35 -0.05 3.68 0.20 -1.24 0.21 118.68 128.26 2k8r s LEU 37 Ca -0.03 0.75 0.03 0.00 0.69 0.00 0.00 54.13 55.57 2k8r s LEU 37 Cb -0.04 -2.51 0.01 0.00 -0.43 0.00 0.00 46.19 43.21 2k8r s LEU 37 CO -0.13 0.18 -0.13 -1.10 -0.29 0.00 0.00 176.35 174.88 2k8r s GLN 38 N -0.16 1.54 -0.18 1.98 -0.21 0.43 0.76 119.66 123.82 2k8r s GLN 38 Ca 0.21 -0.45 -0.04 0.00 0.02 0.00 0.00 55.36 55.10 2k8r s GLN 38 Cb -0.15 -1.32 0.06 0.00 1.00 0.00 0.00 33.01 32.60 2k8r s GLN 38 CO 0.09 0.12 0.07 -1.17 -2.12 0.00 0.00 175.29 172.28 2k8r s LEU 39 N 0.33 0.73 0.00 2.90 0.20 -1.26 0.15 118.68 121.73 2k8r s LEU 39 Ca -0.08 -0.72 0.00 0.00 0.69 0.00 0.00 54.13 54.02 2k8r s LEU 39 Cb -0.12 -0.40 0.00 0.00 -0.43 0.00 0.00 46.19 45.23 2k8r s LEU 39 CO 0.02 -0.33 0.00 -1.20 -0.29 0.00 0.00 176.35 174.55 2k8r n SER 40 N 5.18 0.00 -1.68 3.68 7.64 -0.96 -4.06 113.62 123.42 2k8r n SER 40 Ca -0.08 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.70 2k8r n SER 40 Cb 0.48 0.00 0.02 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 -0.51 -2.81 -0.43 0.00 -1.26 -2.99 120.51 112.51 2k8r n ALA 41 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 2k8r n ALA 41 Cb 0.00 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.03 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 -5.26 1.09 1.05 0.00 0.41 -1.26 -4.76 118.70 109.98 2k8r s GLU 42 Ca 0.19 -0.99 -0.18 0.00 -0.41 0.00 0.00 54.97 53.58 2k8r s GLU 42 Cb -0.08 0.40 0.26 0.00 -1.78 0.00 0.00 34.13 32.93 2k8r s GLU 42 CO 0.23 -0.41 0.91 -1.13 -0.49 0.00 0.00 175.26 174.38 2k8r n SER 43 N -0.19 -2.07 -4.68 -0.19 3.41 -1.25 -4.65 113.62 104.00 2k8r n SER 43 Ca -0.11 -1.04 -0.45 0.00 -0.26 0.00 0.00 58.87 57.01 2k8r n SER 43 Cb 0.63 -0.85 -0.04 0.00 -0.26 0.00 0.00 64.21 63.69 2k8r n SER 43 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2k8r n VAL 44 N -4.56 0.40 0.00 -3.33 3.14 -1.26 -2.30 118.33 110.42 2k8r n VAL 44 Ca 0.13 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 2k8r n VAL 44 Cb 0.50 -1.96 0.00 0.00 -1.06 0.00 0.00 33.84 31.32 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 4.16 2.31 3.74 7.55 0.00 -1.26 -4.98 105.19 116.71 2k8r n GLY 45 Ca 0.19 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 4.31 -0.10 1.61 2.02 -0.97 0.35 118.70 125.92 2k8r s GLU 46 Ca 0.00 2.21 -0.09 0.00 0.02 0.00 0.00 54.97 57.12 2k8r s GLU 46 Cb 0.00 -3.14 0.03 0.00 0.10 0.00 0.00 34.13 31.12 2k8r s GLU 46 CO 0.00 -0.36 0.25 0.14 0.02 0.00 0.00 175.26 175.31 2k8r s VAL 47 N 0.07 -0.00 -0.25 2.63 -7.23 0.86 -3.77 120.40 112.71 2k8r s VAL 47 Ca 0.59 0.01 -0.12 0.00 -1.81 0.00 0.00 61.98 60.65 2k8r s VAL 47 Cb -0.40 -0.36 -0.05 0.00 0.56 0.00 0.00 36.38 36.13 2k8r s VAL 47 CO 0.41 0.00 0.23 -0.47 -0.31 0.00 0.00 175.10 174.97 2k8r s TYR 48 N 0.21 3.29 -0.38 2.82 5.04 -1.16 -2.16 117.35 125.01 2k8r s TYR 48 Ca -0.01 0.28 -0.15 0.00 -2.44 0.00 0.00 57.07 54.75 2k8r s TYR 48 Cb -0.02 -2.37 0.01 0.00 0.35 0.00 0.00 41.96 39.92 2k8r s TYR 48 CO -0.00 -0.04 0.34 0.42 -1.34 0.00 0.00 175.55 174.93 2k8r s ILE 49 N 1.39 5.19 -0.12 3.14 1.01 -1.26 -2.27 121.20 128.29 2k8r s ILE 49 Ca 0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.43 2k8r s ILE 49 Cb -0.15 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2k8r s ILE 49 CO 0.07 -0.23 -0.12 -0.75 0.00 0.00 0.00 174.94 173.91 2k8r s LYS 50 N 1.90 3.30 -0.24 2.79 2.20 0.39 -3.97 119.74 126.11 2k8r s LYS 50 Ca 0.09 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 55.03 2k8r s LYS 50 Cb -0.18 -2.64 0.03 0.00 -1.51 0.00 0.00 37.83 33.53 2k8r s LYS 50 CO 0.11 0.29 -0.07 -1.12 -0.36 0.00 0.00 175.35 174.20 2k8r s SER 51 N 0.18 4.22 0.00 1.43 0.01 -1.26 0.16 113.70 118.44 2k8r s SER 51 Ca -0.06 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2k8r s SER 51 Cb -0.15 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2k8r s SER 51 CO 0.05 -0.12 0.00 0.41 0.41 0.00 0.00 173.24 173.99 2k8r n THR 52 N 4.66 -0.97 -0.31 1.44 -1.04 0.58 -4.02 114.28 114.61 2k8r n THR 52 Ca -0.17 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.86 2k8r n THR 52 Cb 0.47 -0.32 0.15 0.00 -1.82 0.00 0.00 70.33 68.81 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 0.91 -2.57 -2.82 4.57 -1.92 -3.43 114.58 109.33 2k8r h GLU 53 Ca 0.00 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 2k8r h GLU 53 Cb 0.00 -0.21 -0.23 0.00 -0.16 0.00 0.00 28.75 28.15 2k8r h GLU 53 CO 0.00 0.60 -0.14 0.99 -1.18 0.00 0.00 179.01 179.28 2k8r s THR 54 N -6.05 0.00 0.00 0.32 2.01 -1.26 -4.94 115.64 105.73 2k8r s THR 54 Ca -0.12 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2k8r s THR 54 Cb 0.19 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 72.01 2k8r s THR 54 CO 0.79 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.31 2k8r n GLY 55 N 2.66 1.09 3.64 4.40 0.00 -1.26 -5.09 105.19 110.63 2k8r n GLY 55 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2k8r n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k8r s GLN 56 N -0.71 1.76 -0.30 1.61 -1.52 -1.26 -4.86 119.66 114.38 2k8r s GLN 56 Ca 0.00 -1.33 -0.17 0.00 -1.95 0.00 0.00 55.36 51.91 2k8r s GLN 56 Cb 0.00 0.51 0.18 0.00 -0.22 0.00 0.00 33.01 33.48 2k8r s GLN 56 CO 0.00 -0.76 1.15 -0.47 -0.25 0.00 0.00 175.29 174.96 2k8r s TYR 57 N -3.57 -0.36 -0.25 0.91 6.14 -1.26 -4.62 117.35 114.34 2k8r s TYR 57 Ca 0.21 0.57 -0.23 0.00 0.64 0.00 0.00 57.07 58.26 2k8r s TYR 57 Cb -0.02 0.20 -0.01 0.00 0.42 0.00 0.00 41.96 42.55 2k8r s TYR 57 CO 0.11 -0.18 0.77 -1.17 0.64 0.00 0.00 175.55 175.72 2k8r s LEU 58 N 2.35 4.08 0.07 6.97 1.98 -1.25 0.12 118.68 133.00 2k8r s LEU 58 Ca -0.01 0.90 0.02 0.00 -2.89 0.00 0.00 54.13 52.15 2k8r s LEU 58 Cb -0.04 -3.08 -0.03 0.00 0.66 0.00 0.00 46.19 43.70 2k8r s LEU 58 CO -0.16 -0.48 -0.07 0.00 -1.89 0.00 0.00 176.35 173.75 2k8r s ALA 59 N 2.75 0.82 0.11 5.97 0.00 0.11 -4.62 121.76 126.90 2k8r s ALA 59 Ca 0.32 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 2k8r s ALA 59 Cb -0.15 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2k8r s ALA 59 CO 0.08 -0.14 0.32 0.00 0.00 0.00 0.00 175.76 176.03 2k8r s MET 60 N -2.86 3.56 -0.11 0.00 0.23 0.96 -0.20 119.30 120.89 2k8r s MET 60 Ca 0.03 -0.20 -0.10 0.00 -1.03 0.00 0.00 55.69 54.39 2k8r s MET 60 Cb -0.01 -2.91 -0.05 0.00 -1.53 0.00 0.00 34.83 30.33 2k8r s MET 60 CO -0.02 0.52 0.21 0.34 -2.03 0.00 0.00 175.02 174.03 2k8r s ASP 61 N -2.44 6.46 0.38 -1.18 -1.08 0.64 -4.88 116.67 114.58 2k8r s ASP 61 Ca 0.39 0.55 0.15 0.00 -0.52 0.00 0.00 52.55 53.12 2k8r s ASP 61 Cb -0.12 -2.12 1.02 0.00 -1.46 0.00 0.00 42.92 40.23 2k8r s ASP 61 CO 0.25 0.34 1.79 0.00 0.52 0.00 0.00 175.17 178.07 2k8r h THR 62 N 4.06 0.59 -0.19 1.71 1.03 -1.99 0.22 112.91 118.34 2k8r h THR 62 Ca -0.51 -0.16 -0.06 0.00 -0.01 0.00 0.00 66.41 65.67 2k8r h THR 62 Cb 1.21 0.07 -0.01 0.00 -1.07 0.00 0.00 68.15 68.35 2k8r h THR 62 CO 0.62 0.09 -0.13 -0.78 -0.01 0.00 0.00 175.52 175.31 2k8r h ASP 63 N 0.48 0.30 0.00 0.00 3.58 -2.02 -3.46 116.42 115.29 2k8r h ASP 63 Ca 0.57 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.95 2k8r h ASP 63 Cb 1.31 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2k8r h ASP 63 CO -0.30 0.46 0.00 0.61 -2.88 0.00 0.00 179.24 177.13 2k8r n GLY 64 N -0.80 0.74 3.03 -0.78 0.00 0.77 -4.15 105.19 104.00 2k8r n GLY 64 Ca -0.00 -0.18 -0.09 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 2.14 -0.12 0.99 1.98 -1.17 -1.33 118.68 121.16 2k8r s LEU 65 Ca 0.00 -0.53 -0.03 0.00 -2.89 0.00 0.00 54.13 50.68 2k8r s LEU 65 Cb 0.00 0.25 -0.03 0.00 0.66 0.00 0.00 46.19 47.06 2k8r s LEU 65 CO 0.00 -0.37 -0.01 -0.76 -1.89 0.00 0.00 176.35 173.32 2k8r s LEU 66 N -1.72 3.46 0.02 -0.68 1.02 -1.26 0.23 118.68 119.75 2k8r s LEU 66 Ca -0.11 0.02 -0.00 0.00 0.02 0.00 0.00 54.13 54.06 2k8r s LEU 66 Cb -0.06 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.31 2k8r s LEU 66 CO -0.02 0.27 -0.03 -0.72 0.02 0.00 0.00 176.35 175.87 2k8r s TYR 67 N -0.24 0.25 -0.67 0.29 -0.85 0.73 -4.56 117.35 112.30 2k8r s TYR 67 Ca 0.05 -0.51 -0.10 0.00 -0.52 0.00 0.00 57.07 56.00 2k8r s TYR 67 Cb -0.12 -0.18 0.17 0.00 0.38 0.00 0.00 41.96 42.21 2k8r s TYR 67 CO 0.02 -0.18 0.56 0.20 -1.52 0.00 0.00 175.55 174.63 2k8r s GLY 68 N -1.40 2.43 -0.07 5.49 0.00 -1.26 0.05 107.32 112.57 2k8r s GLY 68 Ca -0.15 -3.07 -0.07 0.00 0.00 0.00 0.00 44.72 41.43 2k8r s GLY 68 CO -0.01 1.18 0.19 -0.45 0.00 0.00 0.00 173.10 174.01 2k8r s SER 69 N 1.97 -0.20 -1.10 1.64 0.15 0.32 -3.68 113.70 112.80 2k8r s SER 69 Ca 0.14 0.39 -0.25 0.00 0.70 0.00 0.00 55.95 56.93 2k8r s SER 69 Cb -0.18 0.40 -0.14 0.00 -1.71 0.00 0.00 66.02 64.38 2k8r s SER 69 CO -0.04 -0.07 2.04 -1.10 1.20 0.00 0.00 173.24 175.26 2k8r s GLN 70 N 0.12 1.91 -0.45 5.44 -1.52 -1.26 -4.14 119.66 119.77 2k8r s GLN 70 Ca -0.00 -0.71 0.05 0.00 -1.95 0.00 0.00 55.36 52.74 2k8r s GLN 70 Cb -0.02 -5.10 0.18 0.00 -0.22 0.00 0.00 33.01 27.86 2k8r s GLN 70 CO 0.00 -4.59 0.39 2.41 -0.25 0.00 0.00 175.29 173.25 2k8r n THR 71 N 8.37 -0.74 -1.58 -0.19 -1.04 -1.26 -5.04 114.28 112.79 2k8r n THR 71 Ca 0.43 -3.70 -0.51 0.00 -2.04 0.00 0.00 64.05 58.23 2k8r n THR 71 Cb 0.46 -1.76 -0.06 0.00 -1.82 0.00 0.00 70.33 67.15 2k8r n THR 71 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2k8r n PRO 72 N 2.54 1.44 -3.84 -2.82 -0.04 -1.26 -4.91 135.00 126.10 2k8r n PRO 72 Ca 0.28 0.48 -0.07 0.00 -0.04 0.00 0.00 63.50 64.15 2k8r n PRO 72 Cb 0.47 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.45 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 5.56 -0.24 0.11 3.54 3.84 -1.26 -5.02 114.94 121.48 2k8r s ASN 73 Ca 1.02 -0.60 0.17 0.00 0.21 0.00 0.00 52.86 53.65 2k8r s ASN 73 Cb -0.84 0.70 0.72 0.00 -0.55 0.00 0.00 41.25 41.28 2k8r s ASN 73 CO 0.53 -1.30 1.52 -0.62 -2.79 0.00 0.00 177.10 174.44 2k8r n GLU 74 N -0.47 0.08 0.00 0.43 1.02 -1.26 -3.20 120.64 117.24 2k8r n GLU 74 Ca -0.04 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 2k8r n GLU 74 Cb 0.59 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2k8r n GLU 74 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2k8r n GLU 75 N -1.81 0.88 0.00 3.49 -0.58 -1.26 -2.81 120.64 118.54 2k8r n GLU 75 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2k8r n GLU 75 Cb 0.16 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 2k8r n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k8r s LEU 77 N -0.27 4.40 0.23 0.00 2.01 -1.12 -4.04 118.68 119.89 2k8r s LEU 77 Ca 0.00 -0.14 0.11 0.00 0.01 0.00 0.00 54.13 54.11 2k8r s LEU 77 Cb 0.00 -2.72 -0.05 0.00 0.01 0.00 0.00 46.19 43.43 2k8r s LEU 77 CO 0.00 -0.67 -0.21 -0.36 1.01 0.00 0.00 176.35 176.12 2k8r s PHE 78 N 2.72 2.19 -0.25 0.29 0.40 -0.92 -0.78 117.98 121.64 2k8r s PHE 78 Ca 0.22 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 56.09 2k8r s PHE 78 Cb -0.14 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 2k8r s PHE 78 CO 0.17 0.58 0.12 -1.17 0.70 0.00 0.00 175.22 175.61 2k8r s LEU 79 N -3.15 3.74 -0.37 -0.37 1.98 0.18 -0.10 118.68 120.59 2k8r s LEU 79 Ca 0.25 -0.07 -0.15 0.00 -2.89 0.00 0.00 54.13 51.26 2k8r s LEU 79 Cb -0.06 -2.01 0.00 0.00 0.66 0.00 0.00 46.19 44.79 2k8r s LEU 79 CO 0.12 -0.00 0.35 -0.70 -1.89 0.00 0.00 176.35 174.23 2k8r s GLU 80 N 1.43 3.33 -0.43 1.98 2.12 0.16 -2.19 118.70 125.09 2k8r s GLU 80 Ca 0.06 -0.65 0.01 0.00 0.36 0.00 0.00 54.97 54.75 2k8r s GLU 80 Cb -0.15 -3.88 0.12 0.00 0.26 0.00 0.00 34.13 30.48 2k8r s GLU 80 CO 0.06 -0.64 0.19 0.50 -0.54 0.00 0.00 175.26 174.83 2k8r s ARG 81 N 1.95 1.90 -0.22 4.30 3.52 0.30 -4.54 118.95 126.15 2k8r s ARG 81 Ca 0.10 -2.07 -0.20 0.00 -0.13 0.00 0.00 55.73 53.44 2k8r s ARG 81 Cb -0.17 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2k8r s ARG 81 CO 0.12 -1.05 0.58 -1.17 -0.81 0.00 0.00 175.30 172.97 2k8r s LEU 82 N 0.67 4.11 -0.27 -0.88 2.96 -1.26 0.99 118.68 124.99 2k8r s LEU 82 Ca 0.12 0.71 0.12 0.00 -0.22 0.00 0.00 54.13 54.86 2k8r s LEU 82 Cb -0.22 -2.80 0.78 0.00 0.50 0.00 0.00 46.19 44.46 2k8r s LEU 82 CO -0.05 -0.27 1.77 1.21 -1.32 0.00 0.00 176.35 177.68 2k8r n GLU 83 N 5.22 4.35 0.00 1.98 2.13 -0.56 -4.96 120.64 128.80 2k8r n GLU 83 Ca -0.02 -3.13 0.00 0.00 0.66 0.00 0.00 57.16 54.66 2k8r n GLU 83 Cb 0.50 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 29.97 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 0.25 0.00 -0.20 5.31 2.13 -1.25 -4.75 120.64 122.12 2k8r n GLU 84 Ca 0.33 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 58.04 2k8r n GLU 84 Cb 1.27 -0.05 -0.02 0.00 0.27 0.00 0.00 31.44 32.91 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 1.10 0.85 -3.32 4.31 5.15 -1.26 -4.35 115.26 117.73 2k8r n ASN 85 Ca 0.00 -2.14 -0.18 0.00 -0.60 0.00 0.00 54.58 51.66 2k8r n ASN 85 Cb 0.00 -0.59 -0.03 0.00 -0.53 0.00 0.00 39.78 38.62 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 5.57 -1.59 -3.48 1.20 1.44 -1.26 -4.85 115.22 112.24 2k8r n HIS 86 Ca 0.14 0.29 -0.15 0.00 -2.01 0.00 0.00 57.72 55.99 2k8r n HIS 86 Cb 0.09 -1.33 -0.04 0.00 0.12 0.00 0.00 29.99 28.82 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 -2.48 -0.59 0.22 -1.40 1.13 -1.26 -4.55 117.35 108.41 2k8r s TYR 87 Ca 0.35 0.78 -0.01 0.00 -1.41 0.00 0.00 57.07 56.79 2k8r s TYR 87 Cb -0.21 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 2k8r s TYR 87 CO 0.43 -0.69 0.17 0.54 -2.51 0.00 0.00 175.55 173.49 2k8r s ASN 88 N -1.81 0.32 -0.05 -0.18 2.20 0.11 -1.50 114.94 114.03 2k8r s ASN 88 Ca -0.06 -1.41 0.02 0.00 -0.94 0.00 0.00 52.86 50.47 2k8r s ASN 88 Cb -0.00 0.41 0.02 0.00 -2.00 0.00 0.00 41.25 39.68 2k8r s ASN 88 CO 0.00 -0.88 -0.07 0.42 -2.94 0.00 0.00 177.10 173.63 2k8r s THR 89 N -4.06 0.72 -0.06 0.54 -4.23 0.28 -3.52 115.64 105.31 2k8r s THR 89 Ca 0.38 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.66 2k8r s THR 89 Cb 0.06 -0.70 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 2k8r s THR 89 CO 0.14 0.26 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.09 2k8r s TYR 90 N 0.73 2.91 0.06 3.99 2.02 -1.26 -0.54 117.35 125.25 2k8r s TYR 90 Ca -0.11 -0.00 -0.04 0.00 -0.37 0.00 0.00 57.07 56.55 2k8r s TYR 90 Cb -0.14 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 2k8r s TYR 90 CO 0.01 0.32 0.05 0.96 -1.57 0.00 0.00 175.55 175.32 2k8r s ILE 91 N -0.80 0.18 -0.01 2.71 -4.36 -0.93 -3.82 121.20 114.17 2k8r s ILE 91 Ca 0.12 -1.50 -0.30 0.00 -0.26 0.00 0.00 60.65 58.71 2k8r s ILE 91 Cb -0.11 -1.35 -0.06 0.00 1.25 0.00 0.00 42.46 42.20 2k8r s ILE 91 CO 0.01 -0.83 1.48 -0.94 0.24 0.00 0.00 174.94 174.91 2k8r s SER 92 N -2.76 6.78 -0.06 4.36 1.04 -1.26 0.48 113.70 122.28 2k8r s SER 92 Ca 0.04 2.18 -0.06 0.00 0.48 0.00 0.00 55.95 58.59 2k8r s SER 92 Cb 0.05 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 2k8r s SER 92 CO -0.09 -0.79 0.26 0.50 0.98 0.00 0.00 173.24 174.10 2k8r h LYS 93 N 8.23 -0.20 -0.84 4.02 3.11 -1.25 -3.19 116.57 126.46 2k8r h LYS 93 Ca -0.38 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.54 2k8r h LYS 93 Cb 1.18 0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 32.39 2k8r h LYS 93 CO 0.92 -0.13 0.50 -0.22 -2.81 0.00 0.00 179.45 177.71 2k8r h LYS 94 N -0.91 0.87 -1.67 1.90 3.64 -1.84 -2.08 116.57 116.48 2k8r h LYS 94 Ca -0.02 -0.05 -0.51 0.00 -1.27 0.00 0.00 60.65 58.80 2k8r h LYS 94 Cb 0.16 -0.20 -0.20 0.00 -0.41 0.00 0.00 32.23 31.58 2k8r h LYS 94 CO 0.03 0.57 0.57 0.72 -2.27 0.00 0.00 179.45 179.08 2k8r n HIS 95 N -4.67 2.04 -0.12 1.91 8.25 -1.26 -4.61 115.22 116.76 2k8r n HIS 95 Ca 0.13 -2.19 0.24 0.00 -0.26 0.00 0.00 57.72 55.63 2k8r n HIS 95 Cb 0.21 -1.23 0.68 0.00 1.12 0.00 0.00 29.99 30.77 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 2.32 2.62 -0.00 -1.41 0.00 -1.35 0.44 119.26 121.87 2k8r h ALA 96 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2k8r h ALA 96 Cb 0.71 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k8r h ALA 96 CO 1.04 -0.84 0.01 0.93 0.00 0.00 0.00 179.25 180.39 2k8r h GLU 97 N 0.06 0.00 -2.08 0.00 4.39 -1.88 -3.04 114.58 112.04 2k8r h GLU 97 Ca 0.36 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.50 2k8r h GLU 97 Cb 1.36 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.61 2k8r h GLU 97 CO -0.03 0.00 -0.93 1.63 -1.16 0.00 0.00 179.01 178.53 2k8r n LYS 98 N -3.34 1.51 -2.47 2.33 5.02 0.15 -5.06 118.16 116.30 2k8r n LYS 98 Ca -0.03 -3.82 -0.39 0.00 -2.02 0.00 0.00 58.31 52.05 2k8r n LYS 98 Cb 0.09 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.39 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 -1.94 6.18 -0.06 4.39 4.22 -1.15 -4.73 114.94 121.86 2k8r s ASN 99 Ca 0.38 -0.98 0.04 0.00 -2.14 0.00 0.00 52.86 50.17 2k8r s ASN 99 Cb 0.20 -2.56 -0.02 0.00 1.28 0.00 0.00 41.25 40.14 2k8r s ASN 99 CO -0.08 -1.79 -0.18 0.26 -2.04 0.00 0.00 177.10 173.28 2k8r s TRP 100 N 5.99 2.62 0.27 1.54 0.52 -1.26 -4.97 118.94 123.64 2k8r s TRP 100 Ca 0.47 -0.38 -0.29 0.00 0.02 0.00 0.00 56.10 55.91 2k8r s TRP 100 Cb -0.04 -1.64 -0.10 0.00 -1.15 0.00 0.00 33.47 30.55 2k8r s TRP 100 CO -0.00 0.02 1.29 -0.06 0.02 0.00 0.00 176.95 178.21 2k8r s PHE 101 N -0.43 3.21 0.00 -1.98 0.08 -1.26 -4.47 117.98 113.12 2k8r s PHE 101 Ca 0.05 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.45 2k8r s PHE 101 Cb -0.12 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 2k8r s PHE 101 CO 0.02 -1.73 0.00 1.33 -0.10 0.00 0.00 175.22 174.74 2k8r n VAL 102 N 1.67 0.00 0.00 -0.44 0.24 -1.25 -4.65 118.33 113.90 2k8r n VAL 102 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2k8r n VAL 102 Cb 0.42 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 2.77 3.59 7.63 0.00 -1.26 -4.55 105.19 118.37 2k8r n GLY 103 Ca 0.00 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 2k8r n GLY 103 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k8r n LEU 104 N 0.00 0.00 -4.07 0.99 -0.00 -1.26 -2.15 117.00 110.51 2k8r n LEU 104 Ca 0.00 -1.72 -0.22 0.00 -0.00 0.00 0.00 56.01 54.06 2k8r n LEU 104 Cb 0.00 -0.73 -0.15 0.00 -0.00 0.00 0.00 43.42 42.54 2k8r n LEU 104 CO 0.00 -1.12 -0.47 -0.75 -0.00 0.00 0.00 177.39 175.06 2k8r s LYS 105 N -5.21 1.20 0.55 1.47 2.47 0.29 -4.79 119.74 115.72 2k8r s LYS 105 Ca 0.65 -0.45 0.42 0.00 -1.56 0.00 0.00 55.97 55.03 2k8r s LYS 105 Cb -0.03 -1.11 1.62 0.00 -1.46 0.00 0.00 37.83 36.86 2k8r s LYS 105 CO 0.44 0.22 1.72 1.57 0.16 0.00 0.00 175.35 179.45 2k8r h LYS 106 N 6.11 0.00 -0.07 4.03 2.10 -1.91 0.34 116.57 127.17 2k8r h LYS 106 Ca -0.33 -0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.34 2k8r h LYS 106 Cb 1.17 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2k8r h LYS 106 CO 0.49 0.00 0.28 -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 -1.97 -3.41 115.58 116.54 2k8r h ASN 107 Ca 0.71 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.88 2k8r h ASN 107 Cb 2.85 0.00 0.00 0.00 0.27 0.00 0.00 38.32 41.44 2k8r h ASN 107 CO -0.01 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.66 2k8r n GLY 108 N -1.25 1.30 3.21 1.57 0.00 0.12 -5.07 105.19 105.07 2k8r n GLY 108 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2k8r n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k8r s SER 109 N -2.00 0.67 0.26 1.61 1.04 -1.15 -4.77 113.70 109.35 2k8r s SER 109 Ca 0.00 -1.25 0.08 0.00 0.48 0.00 0.00 55.95 55.26 2k8r s SER 109 Cb 0.00 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2k8r s SER 109 CO 0.00 -0.70 0.08 0.00 0.98 0.00 0.00 173.24 173.60 2k8r s LYS 111 N -3.71 0.47 0.15 0.00 -0.14 -0.91 -4.88 119.74 110.72 2k8r s LYS 111 Ca 0.32 -1.03 0.00 0.00 -1.36 0.00 0.00 55.97 53.89 2k8r s LYS 111 Cb -0.07 -1.37 0.00 0.00 -1.68 0.00 0.00 37.83 34.71 2k8r s LYS 111 CO 0.22 -1.11 0.00 -2.13 -0.76 0.00 0.00 175.35 171.57 2k8r n ARG 112 N 4.56 0.00 0.10 1.68 0.00 -1.23 -4.47 116.66 117.30 2k8r n ARG 112 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.75 2k8r n ARG 112 Cb 0.39 -0.22 -0.08 0.00 0.00 0.00 0.00 32.46 32.56 2k8r n ARG 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2k8r h GLY 113 N 0.00 -0.18 -0.34 5.14 0.00 -1.36 -3.26 103.07 103.07 2k8r h GLY 113 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.47 2k8r h GLY 113 CO 0.00 -0.07 -0.46 -0.56 0.00 0.00 0.00 176.54 175.46 2k8r h PRO 114 N -0.23 -0.32 0.00 4.80 0.13 -1.85 -3.44 132.00 131.08 2k8r h PRO 114 Ca -0.02 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k8r h PRO 114 Cb 0.19 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.39 2k8r h PRO 114 CO 0.03 -0.21 0.00 -2.13 -0.23 0.00 0.00 178.00 175.45 2k8r n ARG 115 N -5.41 0.00 -4.10 0.86 0.63 -1.23 -5.15 116.66 102.27 2k8r n ARG 115 Ca -0.01 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.60 2k8r n ARG 115 Cb 0.35 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.10 2k8r n ARG 115 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2k8r s THR 116 N 0.00 1.89 0.00 5.15 -1.32 -1.25 -4.75 115.64 115.36 2k8r s THR 116 Ca 0.00 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 2k8r s THR 116 Cb 0.00 -1.72 0.00 0.00 -1.51 0.00 0.00 72.50 69.27 2k8r s THR 116 CO 0.00 0.51 0.00 1.41 -2.21 0.00 0.00 174.62 174.33 2k8r n HIS 117 N 4.66 0.00 -2.77 9.09 -0.00 -1.26 -4.80 115.22 120.13 2k8r n HIS 117 Ca -0.20 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.22 2k8r n HIS 117 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.46 2k8r n HIS 117 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2k8r s TYR 118 N 0.00 3.48 0.00 4.41 1.51 -1.26 -4.87 117.35 120.62 2k8r s TYR 118 Ca 0.00 1.06 0.00 0.00 -1.01 0.00 0.00 57.07 57.12 2k8r s TYR 118 Cb 0.00 -2.46 0.00 0.00 -0.11 0.00 0.00 41.96 39.39 2k8r s TYR 118 CO 0.00 -0.16 0.00 0.41 -1.11 0.00 0.00 175.55 174.69 2k8r n GLY 119 N -1.44 -2.20 0.63 0.71 0.00 -1.26 -4.53 105.19 97.10 2k8r n GLY 119 Ca 0.03 -0.68 0.45 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -0.12 1.61 4.20 -1.93 0.53 115.11 119.40 2k8r h GLN 120 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 2k8r h GLN 120 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2k8r h GLN 120 CO 0.00 0.00 0.40 1.57 -0.67 0.00 0.00 178.83 180.13 2k8r h LYS 121 N 0.00 0.00 0.00 1.46 5.09 -1.86 0.55 116.57 121.81 2k8r h LYS 121 Ca 0.76 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.50 2k8r h LYS 121 Cb 3.10 0.00 0.00 0.00 0.10 0.00 0.00 32.23 35.43 2k8r h LYS 121 CO -0.01 0.00 -0.98 0.00 -2.09 0.00 0.00 179.45 176.37 2k8r n ALA 122 N -2.00 3.21 -2.81 0.07 0.00 0.19 -4.48 120.51 114.69 2k8r n ALA 122 Ca 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 53.44 53.08 2k8r n ALA 122 Cb 0.48 -1.01 0.07 0.00 0.00 0.00 0.00 19.45 18.98 2k8r n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k8r n ILE 123 N -2.06 1.02 -3.06 0.00 5.41 0.15 -4.48 119.36 116.34 2k8r n ILE 123 Ca 0.02 -2.54 -0.14 0.00 1.00 0.00 0.00 62.75 61.09 2k8r n ILE 123 Cb 0.45 1.25 -0.04 0.00 -0.71 0.00 0.00 39.64 40.59 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 -3.86 -0.24 -0.07 1.39 2.96 0.11 -4.89 118.68 114.08 2k8r s LEU 124 Ca 0.24 -2.23 0.05 0.00 -0.22 0.00 0.00 54.13 51.96 2k8r s LEU 124 Cb 0.35 0.89 -0.01 0.00 0.50 0.00 0.00 46.19 47.92 2k8r s LEU 124 CO -0.06 -0.11 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.28 2k8r s PHE 125 N 0.62 2.54 -0.36 5.38 0.08 -1.23 -2.63 117.98 122.38 2k8r s PHE 125 Ca 0.30 -0.70 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 2k8r s PHE 125 Cb 0.00 -1.66 0.09 0.00 -0.57 0.00 0.00 43.02 40.89 2k8r s PHE 125 CO -0.11 -0.20 0.12 -1.17 -0.10 0.00 0.00 175.22 173.76 2k8r s LEU 126 N -0.08 4.78 0.44 -0.37 2.96 0.38 -0.71 118.68 126.07 2k8r s LEU 126 Ca -0.05 -1.84 0.05 0.00 -0.22 0.00 0.00 54.13 52.07 2k8r s LEU 126 Cb -0.14 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.80 2k8r s LEU 126 CO 0.04 -0.43 0.61 -2.16 -1.32 0.00 0.00 176.35 173.09 2k8r s PRO 127 N 1.13 2.83 0.29 0.98 0.04 -1.26 0.05 135.00 139.07 2k8r s PRO 127 Ca 0.05 -1.02 -0.29 0.00 0.04 0.00 0.00 61.00 59.78 2k8r s PRO 127 Cb -0.21 -2.69 -0.10 0.00 0.04 0.00 0.00 34.50 31.54 2k8r s PRO 127 CO -0.04 -0.32 1.20 -1.17 0.04 0.00 0.00 177.00 176.71 2k8r s LEU 128 N -4.44 4.49 0.31 -3.56 2.96 -1.04 -4.92 118.68 112.50 2k8r s LEU 128 Ca 0.53 2.45 0.07 0.00 -0.22 0.00 0.00 54.13 56.96 2k8r s LEU 128 Cb -0.10 -3.63 0.89 0.00 0.50 0.00 0.00 46.19 43.84 2k8r s LEU 128 CO 0.34 -0.33 1.62 -0.65 -1.32 0.00 0.00 176.35 176.02 2k8r h PRO 129 N 3.78 0.15 -5.68 0.98 0.11 -1.98 -3.39 132.00 125.97 2k8r h PRO 129 Ca -0.47 -0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.05 2k8r h PRO 129 Cb 1.22 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2k8r h PRO 129 CO 0.67 0.10 1.55 1.33 -0.21 0.00 0.00 178.00 181.44 2k8r n VAL 130 N -5.26 0.08 -4.09 3.15 0.24 -1.26 -4.86 118.33 106.33 2k8r n VAL 130 Ca 0.26 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 62.07 2k8r n VAL 130 Cb 0.85 -1.71 -0.05 0.00 -1.47 0.00 0.00 33.84 31.46 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 8.97 0.76 0.57 -1.34 0.01 -1.26 -4.84 113.70 116.58 2k8r s SER 131 Ca 1.12 -1.42 -0.15 0.00 1.31 0.00 0.00 55.95 56.82 2k8r s SER 131 Cb -0.76 0.64 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 2k8r s SER 131 CO 0.43 -1.25 1.02 -0.55 0.41 0.00 0.00 173.24 173.30 2k8r s SER 132 N -3.21 6.17 0.00 2.44 0.15 -1.26 -4.85 113.70 113.15 2k8r s SER 132 Ca 0.30 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.58 2k8r s SER 132 Cb -0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2k8r s SER 132 CO 0.19 -0.90 0.00 -0.67 1.20 0.00 0.00 173.24 173.05