#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8r s LYS 2 N 0.00 4.26 0.14 -3.48 -2.85 -1.26 -4.54 119.74 112.02 2k8r s LYS 2 Ca 0.00 0.68 -0.15 0.00 -1.00 0.00 0.00 55.97 55.50 2k8r s LYS 2 Cb 0.00 -3.54 0.02 0.00 -2.06 0.00 0.00 37.83 32.25 2k8r s LYS 2 CO 0.00 -0.16 0.38 0.15 0.10 0.00 0.00 175.35 175.82 2k8r s LYS 3 N 1.65 1.11 -0.71 1.78 1.02 -1.26 -5.08 119.74 118.24 2k8r s LYS 3 Ca 0.31 -0.82 -0.26 0.00 0.02 0.00 0.00 55.97 55.21 2k8r s LYS 3 Cb -0.16 0.45 -0.12 0.00 -0.52 0.00 0.00 37.83 37.48 2k8r s LYS 3 CO 0.12 -0.43 2.40 -2.14 -0.92 0.00 0.00 175.35 174.38 2k8r s PRO 4 N -3.84 1.75 0.55 -1.68 0.02 -1.26 -4.60 135.00 125.94 2k8r s PRO 4 Ca 0.06 0.73 0.03 0.00 0.02 0.00 0.00 61.00 61.84 2k8r s PRO 4 Cb 0.02 -4.73 0.05 0.00 0.02 0.00 0.00 34.50 29.85 2k8r s PRO 4 CO -0.09 -4.11 0.77 0.21 -0.33 0.00 0.00 177.00 173.45 2k8r s LYS 5 N 8.68 2.45 0.20 5.54 2.20 0.12 -4.75 119.74 134.18 2k8r s LYS 5 Ca 0.93 -1.00 -0.15 0.00 -0.36 0.00 0.00 55.97 55.39 2k8r s LYS 5 Cb -0.14 -2.53 0.01 0.00 -1.51 0.00 0.00 37.83 33.66 2k8r s LYS 5 CO 0.13 -0.75 0.47 -0.48 -0.36 0.00 0.00 175.35 174.35 2k8r s LEU 6 N -4.73 0.32 -0.42 5.43 2.34 -1.26 -3.61 118.68 116.74 2k8r s LEU 6 Ca 0.59 -0.65 0.03 0.00 0.06 0.00 0.00 54.13 54.16 2k8r s LEU 6 Cb -0.09 1.88 0.12 0.00 -0.56 0.00 0.00 46.19 47.54 2k8r s LEU 6 CO 0.38 -1.04 0.18 -0.22 -1.06 0.00 0.00 176.35 174.59 2k8r s LEU 7 N -2.92 3.67 -0.08 1.48 2.96 -1.26 -3.15 118.68 119.38 2k8r s LEU 7 Ca 0.13 -2.50 -0.22 0.00 -0.22 0.00 0.00 54.13 51.31 2k8r s LEU 7 Cb -0.00 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 2k8r s LEU 7 CO 0.00 -0.30 0.66 -0.47 -1.32 0.00 0.00 176.35 174.91 2k8r s TYR 8 N 0.45 3.56 -0.20 5.38 6.14 0.18 -4.24 117.35 128.62 2k8r s TYR 8 Ca 0.15 1.17 -0.04 0.00 0.64 0.00 0.00 57.07 58.99 2k8r s TYR 8 Cb -0.23 -2.76 -0.02 0.00 0.42 0.00 0.00 41.96 39.38 2k8r s TYR 8 CO -0.05 0.10 -0.03 0.00 0.64 0.00 0.00 175.55 176.20 2k8r n SER 10 N 4.48 2.97 -1.40 0.00 7.64 -1.17 -4.37 113.62 121.77 2k8r n SER 10 Ca -0.18 -2.73 0.03 0.00 1.01 0.00 0.00 58.87 57.00 2k8r n SER 10 Cb 0.51 -1.31 0.08 0.00 -1.01 0.00 0.00 64.21 62.48 2k8r n SER 10 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2k8r n ASN 11 N 7.51 1.42 -1.90 6.43 4.05 -1.26 -4.71 115.26 126.80 2k8r n ASN 11 Ca 0.50 -2.60 -0.00 0.00 0.45 0.00 0.00 54.58 52.92 2k8r n ASN 11 Cb 0.41 -0.38 -0.00 0.00 1.23 0.00 0.00 39.78 41.03 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 -0.10 -3.42 0.00 8.20 0.00 -1.26 -4.91 105.19 103.70 2k8r n GLY 12 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.31 0.65 3.22 -0.02 0.00 -1.26 -5.00 105.19 103.09 2k8r n GLY 13 Ca -0.03 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.73 1.31 -0.06 1.61 3.76 -1.26 -4.94 115.29 112.97 2k8r s HIS 14 Ca 0.00 -0.55 -0.03 0.00 -0.15 0.00 0.00 55.06 54.34 2k8r s HIS 14 Cb 0.00 -0.70 0.04 0.00 1.11 0.00 0.00 32.58 33.03 2k8r s HIS 14 CO 0.00 0.10 0.13 -0.06 -0.85 0.00 0.00 174.74 174.06 2k8r s PHE 15 N -1.98 -0.13 0.00 1.40 0.40 -0.88 -0.62 117.98 116.17 2k8r s PHE 15 Ca 0.06 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 2k8r s PHE 15 Cb -0.06 -0.17 0.00 0.00 0.51 0.00 0.00 43.02 43.31 2k8r s PHE 15 CO 0.02 -0.18 0.00 1.47 0.70 0.00 0.00 175.22 177.23 2k8r n LEU 16 N 4.53 0.00 -3.83 -0.37 -0.00 -1.24 -3.96 117.00 112.13 2k8r n LEU 16 Ca -0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.68 2k8r n LEU 16 Cb 0.51 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.78 2k8r n LEU 16 CO 0.15 0.00 -0.34 -0.60 -0.00 0.00 0.00 177.39 176.60 2k8r s ARG 17 N 0.00 0.01 -0.05 1.47 3.52 -1.22 -3.01 118.95 119.66 2k8r s ARG 17 Ca 0.00 0.08 0.02 0.00 -0.13 0.00 0.00 55.73 55.71 2k8r s ARG 17 Cb 0.00 -0.07 0.01 0.00 -1.56 0.00 0.00 34.95 33.34 2k8r s ARG 17 CO 0.00 -0.05 -0.10 -1.50 -0.81 0.00 0.00 175.30 172.84 2k8r s ILE 18 N 0.34 0.91 -0.20 4.11 1.10 -1.26 -1.38 121.20 124.82 2k8r s ILE 18 Ca -0.03 -0.37 -0.10 0.00 -0.51 0.00 0.00 60.65 59.65 2k8r s ILE 18 Cb -0.04 -0.85 -0.05 0.00 0.15 0.00 0.00 42.46 41.67 2k8r s ILE 18 CO -0.01 0.30 0.13 -0.76 -2.11 0.00 0.00 174.94 172.49 2k8r s LEU 19 N 0.60 4.16 0.47 8.50 2.01 0.34 -4.87 118.68 129.90 2k8r s LEU 19 Ca -0.11 0.21 0.32 0.00 0.01 0.00 0.00 54.13 54.56 2k8r s LEU 19 Cb -0.14 -2.08 1.43 0.00 0.01 0.00 0.00 46.19 45.41 2k8r s LEU 19 CO 0.02 0.17 1.69 -0.65 1.01 0.00 0.00 176.35 178.59 2k8r h PRO 20 N 6.75 0.12 -0.47 1.29 0.11 -1.88 0.64 132.00 138.56 2k8r h PRO 20 Ca -0.40 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.83 2k8r h PRO 20 Cb 1.15 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2k8r h PRO 20 CO 0.75 0.08 0.46 -0.44 -0.21 0.00 0.00 178.00 178.63 2k8r h ASP 21 N 0.12 0.00 0.00 -2.05 5.19 -1.94 -3.33 116.42 114.41 2k8r h ASP 21 Ca 0.73 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.14 2k8r h ASP 21 Cb 2.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.97 2k8r h ASP 21 CO -0.24 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.49 2k8r n GLY 22 N -1.52 0.67 3.60 2.75 0.00 0.22 -4.92 105.19 105.98 2k8r n GLY 22 Ca 0.09 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.73 0.00 -0.04 2.61 2.01 -1.01 -4.67 115.64 113.81 2k8r s THR 23 Ca 0.00 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.06 2k8r s THR 23 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 2k8r s THR 23 CO 0.00 0.00 -0.21 0.54 -0.69 0.00 0.00 174.62 174.26 2k8r s VAL 24 N -0.12 2.50 0.36 3.82 0.11 -1.26 0.13 120.40 125.93 2k8r s VAL 24 Ca -0.03 -0.94 0.07 0.00 -2.93 0.00 0.00 61.98 58.16 2k8r s VAL 24 Cb -0.03 -1.92 -0.03 0.00 -1.53 0.00 0.00 36.38 32.87 2k8r s VAL 24 CO 0.03 0.58 0.26 -0.90 -3.33 0.00 0.00 175.10 171.74 2k8r n ASP 25 N 2.42 -0.36 -4.67 3.54 5.75 -0.48 -4.18 116.55 118.56 2k8r n ASP 25 Ca -0.17 -3.26 -0.42 0.00 -0.01 0.00 0.00 54.79 50.94 2k8r n ASP 25 Cb 0.52 1.60 -0.04 0.00 -1.03 0.00 0.00 41.12 42.17 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 -3.43 2.12 0.08 6.12 0.00 -1.25 -3.44 107.32 107.51 2k8r s GLY 26 Ca 0.37 0.09 -0.08 0.00 0.00 0.00 0.00 44.72 45.10 2k8r s GLY 26 CO 0.26 1.72 0.17 -1.59 0.00 0.00 0.00 173.10 173.67 2k8r s THR 27 N 2.17 0.15 -0.09 0.90 2.01 0.21 -4.85 115.64 116.14 2k8r s THR 27 Ca 0.40 -1.21 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2k8r s THR 27 Cb -0.17 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 2k8r s THR 27 CO 0.13 -0.67 -0.16 0.00 -0.69 0.00 0.00 174.62 173.23 2k8r s ARG 28 N -3.75 2.92 0.26 4.92 1.70 -1.26 -2.08 118.95 121.66 2k8r s ARG 28 Ca 0.04 -0.73 -0.18 0.00 -0.47 0.00 0.00 55.73 54.39 2k8r s ARG 28 Cb 0.05 -2.45 0.01 0.00 -0.57 0.00 0.00 34.95 31.99 2k8r s ARG 28 CO -0.10 0.39 0.62 0.34 -1.08 0.00 0.00 175.30 175.46 2k8r s ASP 29 N -0.12 -0.19 -1.12 -2.89 -1.08 -1.26 -5.06 116.67 104.94 2k8r s ASP 29 Ca -0.02 -0.73 -0.18 0.00 -0.52 0.00 0.00 52.55 51.10 2k8r s ASP 29 Cb -0.14 0.67 -0.06 0.00 -1.46 0.00 0.00 42.92 41.93 2k8r s ASP 29 CO 0.04 -1.26 2.09 -1.14 0.52 0.00 0.00 175.17 175.41 2k8r n ARG 30 N -0.43 2.20 -3.79 4.34 3.00 -1.26 -4.27 116.66 116.45 2k8r n ARG 30 Ca -0.03 -2.22 -0.23 0.00 -0.00 0.00 0.00 57.85 55.36 2k8r n ARG 30 Cb 0.60 -3.10 0.02 0.00 0.00 0.00 0.00 32.46 29.98 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 6.73 -1.08 -0.69 6.15 7.64 -1.26 -4.97 113.62 126.15 2k8r n SER 31 Ca 0.51 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.51 2k8r n SER 31 Cb 0.39 -3.74 0.00 0.00 -1.01 0.00 0.00 64.21 59.85 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 0.40 0.00 6.43 -0.08 -1.26 -4.57 116.55 114.45 2k8r n ASP 32 Ca -0.29 -0.57 0.00 0.00 -1.51 0.00 0.00 54.79 52.42 2k8r n ASP 32 Cb 0.67 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.13 2k8r n ASP 32 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2k8r n GLN 33 N 0.00 0.41 -0.34 -0.67 7.27 -1.26 -4.68 117.38 118.12 2k8r n GLN 33 Ca 0.00 0.00 0.28 0.00 0.07 0.00 0.00 57.00 57.35 2k8r n GLN 33 Cb 0.00 0.00 0.58 0.00 2.41 0.00 0.00 30.24 33.23 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 0.49 0.00 3.69 6.17 -1.87 -3.39 115.15 120.23 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 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 29.79 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 -4.53 0.00 -3.38 6.26 5.41 -1.26 -5.04 119.36 116.81 2k8r n ILE 35 Ca 0.27 0.00 0.02 0.00 1.00 0.00 0.00 62.75 64.04 2k8r n ILE 35 Cb 1.04 -0.04 -0.05 0.00 -0.71 0.00 0.00 39.64 39.89 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 -1.47 0.19 -0.32 0.38 0.74 -1.26 -4.88 119.66 113.05 2k8r s GLN 36 Ca 0.00 0.44 -0.13 0.00 0.05 0.00 0.00 55.36 55.72 2k8r s GLN 36 Cb 0.00 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 2k8r s GLN 36 CO 0.00 -0.06 0.28 -1.17 -0.55 0.00 0.00 175.29 173.79 2k8r s LEU 37 N 2.04 4.30 -0.29 3.68 0.20 -1.24 0.17 118.68 127.54 2k8r s LEU 37 Ca -0.03 -0.16 -0.08 0.00 0.69 0.00 0.00 54.13 54.56 2k8r s LEU 37 Cb -0.04 -2.23 -0.00 0.00 -0.43 0.00 0.00 46.19 43.49 2k8r s LEU 37 CO -0.16 -0.21 0.10 -1.10 -0.29 0.00 0.00 176.35 174.69 2k8r s GLN 38 N 1.87 3.27 -0.32 1.98 -0.21 0.15 -0.70 119.66 125.71 2k8r s GLN 38 Ca 0.09 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.73 2k8r s GLN 38 Cb -0.17 -3.41 0.10 0.00 1.00 0.00 0.00 33.01 30.53 2k8r s GLN 38 CO 0.11 -0.38 0.09 -1.17 -2.12 0.00 0.00 175.29 171.81 2k8r s LEU 39 N 1.55 2.80 0.00 2.90 0.20 -1.25 0.16 118.68 125.04 2k8r s LEU 39 Ca 0.04 -1.75 0.00 0.00 0.69 0.00 0.00 54.13 53.11 2k8r s LEU 39 Cb -0.17 -1.04 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 4.71 0.00 -1.95 3.68 7.64 0.26 -4.32 113.62 123.64 2k8r n SER 40 Ca -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.86 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 -2.27 -3.83 -0.43 0.00 -1.26 -1.60 120.51 111.13 2k8r n ALA 41 Ca 0.00 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.70 2k8r n ALA 41 Cb 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.93 0.28 -2.74 0.00 -0.58 -1.26 -4.15 120.64 111.26 2k8r n GLU 42 Ca 0.01 -0.85 -0.33 0.00 -0.42 0.00 0.00 57.16 55.58 2k8r n GLU 42 Cb 0.36 1.29 -0.06 0.00 -0.57 0.00 0.00 31.44 32.47 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 -3.32 6.81 -0.48 1.62 1.04 -1.26 -4.86 113.70 113.25 2k8r s SER 43 Ca 0.24 1.58 -0.43 0.00 0.48 0.00 0.00 55.95 57.82 2k8r s SER 43 Cb -0.01 -2.50 -0.19 0.00 0.10 0.00 0.00 66.02 63.42 2k8r s SER 43 CO 0.01 -0.41 1.97 0.55 0.98 0.00 0.00 173.24 176.35 2k8r n VAL 44 N -0.91 0.00 0.00 5.02 3.14 -1.26 0.10 118.33 124.42 2k8r n VAL 44 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2k8r n VAL 44 Cb 0.54 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 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 6.61 2.85 3.86 7.55 0.00 -1.26 -5.06 105.19 119.74 2k8r n GLY 45 Ca 0.49 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 3.91 -0.05 1.61 2.02 0.28 -2.76 118.70 123.72 2k8r s GLU 46 Ca 0.00 0.45 -0.09 0.00 0.02 0.00 0.00 54.97 55.35 2k8r s GLU 46 Cb 0.00 -2.67 0.02 0.00 0.10 0.00 0.00 34.13 31.58 2k8r s GLU 46 CO 0.00 0.32 0.22 0.14 0.02 0.00 0.00 175.26 175.96 2k8r s VAL 47 N -1.76 0.04 -0.17 2.63 -7.23 0.89 -4.09 120.40 110.71 2k8r s VAL 47 Ca 0.47 -0.30 -0.06 0.00 -1.81 0.00 0.00 61.98 60.28 2k8r s VAL 47 Cb -0.12 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 2k8r s VAL 47 CO 0.20 -0.17 0.03 -0.47 -0.31 0.00 0.00 175.10 174.38 2k8r s TYR 48 N -0.62 3.18 -0.31 2.82 5.04 -0.62 -1.72 117.35 125.12 2k8r s TYR 48 Ca -0.07 -0.04 -0.07 0.00 -2.44 0.00 0.00 57.07 54.45 2k8r s TYR 48 Cb -0.04 -2.02 0.02 0.00 0.35 0.00 0.00 41.96 40.26 2k8r s TYR 48 CO 0.01 0.12 0.10 0.42 -1.34 0.00 0.00 175.55 174.86 2k8r s ILE 49 N 0.28 3.99 -0.27 3.14 1.01 -1.25 -0.58 121.20 127.53 2k8r s ILE 49 Ca 0.01 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.90 2k8r s ILE 49 Cb -0.13 -3.11 0.07 0.00 0.01 0.00 0.00 42.46 39.29 2k8r s ILE 49 CO 0.01 0.00 -0.08 -0.75 0.00 0.00 0.00 174.94 174.12 2k8r s LYS 50 N 1.49 2.08 -0.18 2.79 2.20 0.42 -3.78 119.74 124.75 2k8r s LYS 50 Ca 0.02 -1.38 -0.23 0.00 -0.36 0.00 0.00 55.97 54.02 2k8r s LYS 50 Cb -0.18 -2.89 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 2k8r s LYS 50 CO 0.03 -0.62 0.72 -1.12 -0.36 0.00 0.00 175.35 174.00 2k8r s SER 51 N 1.11 6.81 0.00 1.43 0.01 -1.26 0.34 113.70 122.14 2k8r s SER 51 Ca -0.06 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.19 2k8r s SER 51 Cb -0.20 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2k8r s SER 51 CO -0.06 -0.32 0.00 0.41 0.41 0.00 0.00 173.24 173.68 2k8r n THR 52 N 4.68 -1.00 -0.10 1.44 -1.04 0.44 -3.95 114.28 114.75 2k8r n THR 52 Ca 0.01 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.97 2k8r n THR 52 Cb 0.49 -0.46 0.01 0.00 -1.82 0.00 0.00 70.33 68.55 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 -0.01 -2.84 -2.82 4.57 -1.88 -3.42 114.58 108.17 2k8r h GLU 53 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 2k8r h GLU 53 Cb 0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 28.33 2k8r h GLU 53 CO 0.00 -0.01 -0.33 0.95 -1.18 0.00 0.00 179.01 178.44 2k8r s THR 54 N -6.21 -0.01 0.00 0.32 -4.23 -1.26 -4.92 115.64 99.33 2k8r s THR 54 Ca -0.14 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2k8r s THR 54 Cb 0.14 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.47 2k8r s THR 54 CO 0.70 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 2k8r n GLY 55 N 3.48 2.36 3.30 3.99 0.00 -1.26 -5.09 105.19 111.97 2k8r n GLY 55 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.11 1.22 -0.23 1.61 -1.52 -1.25 -4.55 119.66 114.82 2k8r s GLN 56 Ca 0.00 -1.55 -0.03 0.00 -1.95 0.00 0.00 55.36 51.83 2k8r s GLN 56 Cb 0.00 -0.83 0.12 0.00 -0.22 0.00 0.00 33.01 32.08 2k8r s GLN 56 CO 0.00 0.09 0.34 -0.47 -0.25 0.00 0.00 175.29 175.01 2k8r s TYR 57 N -3.19 -0.70 -0.31 0.91 6.14 0.27 -4.57 117.35 115.89 2k8r s TYR 57 Ca 0.21 0.75 -0.29 0.00 0.64 0.00 0.00 57.07 58.38 2k8r s TYR 57 Cb 0.02 -0.04 -0.01 0.00 0.42 0.00 0.00 41.96 42.35 2k8r s TYR 57 CO 0.04 -0.67 1.46 -1.17 0.64 0.00 0.00 175.55 175.85 2k8r s LEU 58 N 2.50 3.77 0.01 6.97 1.98 -1.25 -2.91 118.68 129.75 2k8r s LEU 58 Ca 0.10 1.22 0.00 0.00 -2.89 0.00 0.00 54.13 52.57 2k8r s LEU 58 Cb -0.15 -3.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.15 2k8r s LEU 58 CO -0.15 -1.28 -0.02 0.00 -1.89 0.00 0.00 176.35 173.01 2k8r s ALA 59 N 5.11 0.13 0.03 5.97 0.00 0.24 -4.58 121.76 128.65 2k8r s ALA 59 Ca 0.64 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.19 2k8r s ALA 59 Cb -0.19 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2k8r s ALA 59 CO 0.28 -0.08 0.21 0.00 0.00 0.00 0.00 175.76 176.17 2k8r s MET 60 N -0.92 3.46 0.25 0.00 0.23 -1.26 0.61 119.30 121.67 2k8r s MET 60 Ca -0.09 -0.34 -0.13 0.00 -1.03 0.00 0.00 55.69 54.10 2k8r s MET 60 Cb -0.06 -3.06 -0.08 0.00 -1.53 0.00 0.00 34.83 30.10 2k8r s MET 60 CO -0.01 0.64 0.63 0.34 -2.03 0.00 0.00 175.02 174.59 2k8r s ASP 61 N -2.18 6.74 0.32 -1.18 2.15 0.34 -4.88 116.67 117.99 2k8r s ASP 61 Ca 0.31 1.11 0.03 0.00 0.43 0.00 0.00 52.55 54.43 2k8r s ASP 61 Cb -0.13 -2.30 0.62 0.00 -0.30 0.00 0.00 42.92 40.81 2k8r s ASP 61 CO 0.23 -0.09 1.92 0.00 -0.17 0.00 0.00 175.17 177.06 2k8r h THR 62 N 2.16 1.03 0.00 1.71 1.03 -1.99 -3.30 112.91 113.54 2k8r h THR 62 Ca -0.48 -0.31 0.00 0.00 -0.01 0.00 0.00 66.41 65.61 2k8r h THR 62 Cb 1.18 0.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.29 2k8r h THR 62 CO 0.67 0.17 0.00 -0.67 -0.01 0.00 0.00 175.52 175.68 2k8r n ASP 63 N -4.49 0.00 -0.59 0.00 -0.08 -1.26 -4.92 116.55 105.21 2k8r n ASP 63 Ca 0.13 0.46 -0.02 0.00 -1.51 0.00 0.00 54.79 53.85 2k8r n ASP 63 Cb 0.23 -0.11 -0.02 0.00 2.34 0.00 0.00 41.12 43.56 2k8r n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k8r n GLY 64 N 0.31 -0.06 3.57 0.27 0.00 -1.24 -4.54 105.19 103.50 2k8r n GLY 64 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 2.80 0.01 0.99 1.98 -1.26 -2.04 118.68 121.16 2k8r s LEU 65 Ca 0.00 -1.23 0.05 0.00 -2.89 0.00 0.00 54.13 50.06 2k8r s LEU 65 Cb 0.00 -1.01 -0.02 0.00 0.66 0.00 0.00 46.19 45.83 2k8r s LEU 65 CO 0.00 -0.28 -0.14 -0.76 -1.89 0.00 0.00 176.35 173.28 2k8r s LEU 66 N -3.65 2.09 0.16 -0.68 1.02 -1.26 0.13 118.68 116.48 2k8r s LEU 66 Ca 0.33 -0.34 -0.06 0.00 0.02 0.00 0.00 54.13 54.09 2k8r s LEU 66 Cb 0.04 -0.68 -0.02 0.00 0.02 0.00 0.00 46.19 45.55 2k8r s LEU 66 CO 0.17 0.12 0.20 -0.72 0.02 0.00 0.00 176.35 176.14 2k8r s TYR 67 N -0.54 0.61 -0.31 0.29 1.13 0.20 -4.33 117.35 114.40 2k8r s TYR 67 Ca 0.04 -0.97 0.08 0.00 -1.41 0.00 0.00 57.07 54.82 2k8r s TYR 67 Cb -0.06 -0.23 0.21 0.00 -1.10 0.00 0.00 41.96 40.78 2k8r s TYR 67 CO 0.00 -0.66 1.15 0.41 -2.51 0.00 0.00 175.55 173.95 2k8r n GLY 68 N -0.18 3.39 3.69 5.49 0.00 -1.24 0.79 105.19 117.12 2k8r n GLY 68 Ca -0.06 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.44 6.75 -0.73 1.61 0.01 -1.15 0.97 113.70 119.72 2k8r s SER 69 Ca 0.18 2.29 -0.31 0.00 1.31 0.00 0.00 55.95 59.43 2k8r s SER 69 Cb 0.13 -2.57 -0.16 0.00 0.21 0.00 0.00 66.02 63.63 2k8r s SER 69 CO 0.06 -0.78 2.52 1.67 0.41 0.00 0.00 173.24 177.12 2k8r n GLN 70 N 5.22 0.47 -3.17 12.44 0.00 -1.26 -4.38 117.38 126.71 2k8r n GLN 70 Ca 0.14 0.03 -0.08 0.00 -0.00 0.00 0.00 57.00 57.10 2k8r n GLN 70 Cb 0.42 -2.25 -0.03 0.00 0.00 0.00 0.00 30.24 28.38 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 9.69 -0.70 -0.23 1.69 2.01 -1.26 -4.97 115.64 121.87 2k8r s THR 71 Ca 1.20 -0.72 -0.31 0.00 0.31 0.00 0.00 61.69 62.17 2k8r s THR 71 Cb -0.87 -0.29 -0.07 0.00 0.01 0.00 0.00 72.50 71.27 2k8r s THR 71 CO 0.42 -0.27 2.18 -0.81 -0.69 0.00 0.00 174.62 175.46 2k8r n PRO 72 N 3.91 1.79 -3.54 4.92 -0.04 -1.26 -4.93 135.00 135.85 2k8r n PRO 72 Ca 0.14 0.52 -0.12 0.00 -0.04 0.00 0.00 63.50 63.99 2k8r n PRO 72 Cb 0.53 -2.98 -0.04 0.00 -0.04 0.00 0.00 33.50 30.97 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 7.56 -0.43 0.56 3.54 3.84 -1.26 -5.03 114.94 123.73 2k8r s ASN 73 Ca 1.02 -0.01 0.28 0.00 0.21 0.00 0.00 52.86 54.36 2k8r s ASN 73 Cb -0.50 0.52 1.49 0.00 -0.55 0.00 0.00 41.25 42.21 2k8r s ASN 73 CO 0.40 -0.84 1.98 -0.33 -2.79 0.00 0.00 177.10 175.52 2k8r h GLU 74 N 2.40 0.00 0.00 0.43 5.08 -2.00 -0.85 114.58 119.65 2k8r h GLU 74 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 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 0.42 0.00 0.30 0.93 -1.00 0.00 0.00 179.01 179.66 2k8r h GLU 75 N 0.00 0.00 0.00 2.33 4.39 -1.95 0.22 114.58 119.57 2k8r h GLU 75 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2k8r h GLU 75 Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2k8r h GLU 75 CO -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 2k8r s LEU 77 N -2.67 3.93 0.28 0.00 2.01 0.76 -3.75 118.68 119.24 2k8r s LEU 77 Ca 0.21 -0.16 0.11 0.00 0.01 0.00 0.00 54.13 54.30 2k8r s LEU 77 Cb 0.17 -2.98 -0.05 0.00 0.01 0.00 0.00 46.19 43.34 2k8r s LEU 77 CO 0.40 -1.25 -0.13 -0.36 1.01 0.00 0.00 176.35 176.01 2k8r s PHE 78 N 4.15 2.41 -0.27 0.29 0.08 -0.70 -1.28 117.98 122.67 2k8r s PHE 78 Ca 0.35 -0.31 -0.05 0.00 0.12 0.00 0.00 56.93 57.03 2k8r s PHE 78 Cb -0.11 -1.08 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 2k8r s PHE 78 CO 0.22 0.68 0.02 -1.17 -0.10 0.00 0.00 175.22 174.87 2k8r s LEU 79 N -3.57 3.47 -0.58 -0.37 1.98 0.19 -0.08 118.68 119.72 2k8r s LEU 79 Ca 0.31 -0.65 -0.17 0.00 -2.89 0.00 0.00 54.13 50.72 2k8r s LEU 79 Cb -0.05 -1.80 0.12 0.00 0.66 0.00 0.00 46.19 45.13 2k8r s LEU 79 CO 0.17 -0.13 0.60 -0.70 -1.89 0.00 0.00 176.35 174.40 2k8r s GLU 80 N 1.46 3.05 -0.71 1.98 2.12 -1.11 -1.40 118.70 124.09 2k8r s GLU 80 Ca 0.03 -1.59 -0.18 0.00 0.36 0.00 0.00 54.97 53.59 2k8r s GLU 80 Cb -0.16 -4.30 0.14 0.00 0.26 0.00 0.00 34.13 30.06 2k8r s GLU 80 CO -0.00 -1.42 0.79 0.50 -0.54 0.00 0.00 175.26 174.58 2k8r s ARG 81 N 1.98 3.28 -0.18 4.30 3.52 0.23 -4.88 118.95 127.20 2k8r s ARG 81 Ca 0.07 -1.70 -0.18 0.00 -0.13 0.00 0.00 55.73 53.79 2k8r s ARG 81 Cb -0.26 -4.43 -0.04 0.00 -1.56 0.00 0.00 34.95 28.66 2k8r s ARG 81 CO 0.04 -1.52 0.49 -1.17 -0.81 0.00 0.00 175.30 172.33 2k8r s LEU 82 N 2.02 4.18 0.00 -0.88 2.96 -1.26 0.11 118.68 125.82 2k8r s LEU 82 Ca 0.17 0.69 0.23 0.00 -0.22 0.00 0.00 54.13 55.00 2k8r s LEU 82 Cb -0.17 -2.68 0.12 0.00 0.50 0.00 0.00 46.19 43.95 2k8r s LEU 82 CO -0.01 -0.12 1.18 1.21 -1.32 0.00 0.00 176.35 177.29 2k8r n GLU 83 N 4.48 1.46 0.00 1.98 2.13 -1.11 -4.97 120.64 124.61 2k8r n GLU 83 Ca -0.06 -1.18 0.00 0.00 0.66 0.00 0.00 57.16 56.58 2k8r n GLU 83 Cb 0.51 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.74 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 0.26 0.00 -0.58 5.31 2.13 -1.24 -4.87 120.64 121.65 2k8r n GLU 84 Ca 0.11 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.69 2k8r n GLU 84 Cb 0.49 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.16 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 1.28 2.43 -3.83 4.31 5.15 -1.26 -4.37 115.26 118.97 2k8r n ASN 85 Ca 0.00 -2.33 -0.29 0.00 -0.60 0.00 0.00 54.58 51.36 2k8r n ASN 85 Cb 0.00 -0.84 -0.04 0.00 -0.53 0.00 0.00 39.78 38.37 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 5.84 -1.54 -3.61 1.20 1.44 -1.26 -4.85 115.22 112.43 2k8r n HIS 86 Ca 0.33 0.51 -0.04 0.00 -2.01 0.00 0.00 57.72 56.51 2k8r n HIS 86 Cb 0.19 -2.04 -0.02 0.00 0.12 0.00 0.00 29.99 28.25 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 -2.92 -0.10 0.23 -1.40 1.13 -1.26 -4.73 117.35 108.30 2k8r s TYR 87 Ca 0.56 0.06 -0.04 0.00 -1.41 0.00 0.00 57.07 56.24 2k8r s TYR 87 Cb -0.32 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.03 2k8r s TYR 87 CO 0.69 -0.16 0.26 0.54 -2.51 0.00 0.00 175.55 174.37 2k8r s ASN 88 N -2.12 0.24 -0.05 -0.18 2.20 -0.16 -2.74 114.94 112.12 2k8r s ASN 88 Ca 0.10 -1.29 0.03 0.00 -0.94 0.00 0.00 52.86 50.76 2k8r s ASN 88 Cb -0.01 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.71 2k8r s ASN 88 CO -0.04 -0.97 -0.15 0.42 -2.94 0.00 0.00 177.10 173.42 2k8r s THR 89 N -3.99 1.28 -0.11 0.54 -4.23 0.31 -3.43 115.64 106.01 2k8r s THR 89 Ca 0.34 -0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 2k8r s THR 89 Cb 0.04 -1.12 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 2k8r s THR 89 CO 0.13 0.38 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.22 2k8r s TYR 90 N 0.25 2.98 0.05 3.99 2.02 -1.26 0.77 117.35 126.16 2k8r s TYR 90 Ca -0.07 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 2k8r s TYR 90 Cb -0.13 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 2k8r s TYR 90 CO 0.03 0.15 -0.06 0.96 -1.57 0.00 0.00 175.55 175.05 2k8r s ILE 91 N -0.23 0.42 -0.17 2.71 -4.36 -0.49 -4.05 121.20 115.03 2k8r s ILE 91 Ca 0.04 -1.25 -0.29 0.00 -0.26 0.00 0.00 60.65 58.88 2k8r s ILE 91 Cb -0.13 -0.78 -0.01 0.00 1.25 0.00 0.00 42.46 42.79 2k8r s ILE 91 CO 0.02 -0.56 1.22 -0.44 0.24 0.00 0.00 174.94 175.43 2k8r s SER 92 N -1.92 6.98 0.10 4.36 0.01 -1.26 0.55 113.70 122.51 2k8r s SER 92 Ca -0.06 1.66 -0.18 0.00 1.31 0.00 0.00 55.95 58.67 2k8r s SER 92 Cb -0.06 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.57 2k8r s SER 92 CO -0.02 -0.73 1.60 0.50 0.41 0.00 0.00 173.24 175.00 2k8r h LYS 93 N 8.03 0.42 0.00 12.44 3.11 -1.48 -2.52 116.57 136.57 2k8r h LYS 93 Ca -0.26 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.48 2k8r h LYS 93 Cb 1.10 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 2k8r h LYS 93 CO 0.96 0.51 0.00 1.17 -2.81 0.00 0.00 179.45 179.28 2k8r n LYS 94 N -4.71 0.84 -2.70 1.90 4.81 -1.25 -3.51 118.16 113.53 2k8r n LYS 94 Ca -0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.34 2k8r n LYS 94 Cb 0.18 -1.06 0.04 0.00 0.02 0.00 0.00 35.03 34.20 2k8r n LYS 94 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2k8r n HIS 95 N -0.56 0.97 0.01 5.64 8.25 -0.95 -4.91 115.22 123.67 2k8r n HIS 95 Ca 0.03 -2.58 0.16 0.00 -0.26 0.00 0.00 57.72 55.06 2k8r n HIS 95 Cb 0.01 -0.23 0.62 0.00 1.12 0.00 0.00 29.99 31.52 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 2.84 2.28 0.00 -1.41 0.00 -1.59 0.19 119.26 121.56 2k8r h ALA 96 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k8r h ALA 96 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k8r h ALA 96 CO 0.39 -0.40 0.00 0.93 0.00 0.00 0.00 179.25 180.17 2k8r h GLU 97 N 0.13 0.00 -2.37 0.00 4.39 -1.90 -3.35 114.58 111.46 2k8r h GLU 97 Ca 0.22 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.34 2k8r h GLU 97 Cb 0.72 0.00 -0.38 0.00 -0.10 0.00 0.00 28.75 28.99 2k8r h GLU 97 CO -0.03 0.00 -0.96 0.15 -1.16 0.00 0.00 179.01 177.01 2k8r s LYS 98 N -3.37 0.86 -0.50 2.33 1.02 0.65 -5.09 119.74 115.63 2k8r s LYS 98 Ca 0.05 -2.00 -0.23 0.00 0.02 0.00 0.00 55.97 53.80 2k8r s LYS 98 Cb 0.09 -1.38 0.04 0.00 -0.52 0.00 0.00 37.83 36.06 2k8r s LYS 98 CO 0.48 -1.37 0.86 0.54 -0.92 0.00 0.00 175.35 174.94 2k8r s ASN 99 N 0.20 6.37 -0.27 2.83 4.22 -1.21 -4.83 114.94 122.25 2k8r s ASN 99 Ca 0.31 -0.27 0.02 0.00 -2.14 0.00 0.00 52.86 50.79 2k8r s ASN 99 Cb 0.01 -2.41 0.06 0.00 1.28 0.00 0.00 41.25 40.19 2k8r s ASN 99 CO -0.17 -1.07 -0.08 0.26 -2.04 0.00 0.00 177.10 173.99 2k8r s TRP 100 N 3.59 3.28 0.33 1.54 0.23 -1.26 -5.05 118.94 121.59 2k8r s TRP 100 Ca 0.30 -2.26 -0.28 0.00 -2.03 0.00 0.00 56.10 51.82 2k8r s TRP 100 Cb -0.13 -1.99 -0.12 0.00 0.03 0.00 0.00 33.47 31.26 2k8r s TRP 100 CO 0.21 -0.87 1.31 1.19 0.96 0.00 0.00 176.95 179.75 2k8r n PHE 101 N 4.46 2.28 0.00 -1.98 3.72 -1.26 -4.79 117.46 119.89 2k8r n PHE 101 Ca -0.13 0.53 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 2k8r n PHE 101 Cb 0.42 -2.43 0.00 0.00 -0.94 0.00 0.00 39.48 36.54 2k8r n PHE 101 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2k8r n VAL 102 N 0.59 0.00 0.00 -4.37 0.24 -1.26 -4.49 118.33 109.04 2k8r n VAL 102 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2k8r n VAL 102 Cb 0.35 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 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 3.46 1.49 4.04 7.63 0.00 -1.26 -4.46 105.19 116.08 2k8r n GLY 103 Ca 0.00 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 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 3.06 -0.10 0.99 2.34 -1.26 -1.95 118.68 121.76 2k8r s LEU 104 Ca 0.00 -0.85 0.03 0.00 0.06 0.00 0.00 54.13 53.37 2k8r s LEU 104 Cb 0.00 -1.57 0.00 0.00 -0.56 0.00 0.00 46.19 44.06 2k8r s LEU 104 CO 0.00 -1.42 -0.21 -0.75 -1.06 0.00 0.00 176.35 172.91 2k8r s LYS 105 N -4.72 2.74 0.56 1.48 2.47 0.35 -4.86 119.74 117.76 2k8r s LYS 105 Ca 0.63 -0.77 0.43 0.00 -1.56 0.00 0.00 55.97 54.70 2k8r s LYS 105 Cb -0.05 -2.13 1.62 0.00 -1.46 0.00 0.00 37.83 35.82 2k8r s LYS 105 CO 0.40 0.11 1.67 1.57 0.16 0.00 0.00 175.35 179.26 2k8r h LYS 106 N 6.88 0.00 -0.99 4.03 2.10 -1.91 0.57 116.57 127.26 2k8r h LYS 106 Ca -0.24 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 58.70 2k8r h LYS 106 Cb 1.22 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.51 2k8r h LYS 106 CO 0.48 0.00 0.70 -2.95 -2.00 0.00 0.00 179.45 175.69 2k8r h ASN 107 N 0.00 0.05 0.00 7.07 -1.07 -1.95 -3.34 115.58 116.34 2k8r h ASN 107 Ca 0.75 0.01 0.00 0.00 0.07 0.00 0.00 56.30 57.12 2k8r h ASN 107 Cb 3.04 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 39.29 2k8r h ASN 107 CO -0.01 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.12 2k8r n GLY 108 N -1.71 1.39 3.23 9.14 0.00 0.20 -5.02 105.19 112.42 2k8r n GLY 108 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 0.02 0.10 1.61 1.04 -1.03 -4.83 113.70 108.60 2k8r s SER 109 Ca 0.00 -0.52 0.05 0.00 0.48 0.00 0.00 55.95 55.96 2k8r s SER 109 Cb 0.00 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 2k8r s SER 109 CO 0.00 -0.74 -0.00 0.00 0.98 0.00 0.00 173.24 173.48 2k8r s LYS 111 N -2.34 1.26 0.00 0.00 -0.14 -0.82 -4.89 119.74 112.81 2k8r s LYS 111 Ca 0.26 -2.13 0.00 0.00 -1.36 0.00 0.00 55.97 52.73 2k8r s LYS 111 Cb -0.12 -2.12 0.00 0.00 -1.68 0.00 0.00 37.83 33.92 2k8r s LYS 111 CO 0.18 -1.24 0.00 -2.13 -0.76 0.00 0.00 175.35 171.40 2k8r n ARG 112 N 3.20 0.00 -0.00 1.68 0.00 -1.23 -4.56 116.66 115.76 2k8r n ARG 112 Ca 0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.88 2k8r n ARG 112 Cb 0.38 -0.43 -0.10 0.00 0.00 0.00 0.00 32.46 32.31 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 -0.03 -0.82 5.14 0.00 -1.65 -3.26 103.07 102.46 2k8r h GLY 113 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.45 2k8r h GLY 113 CO 0.00 -0.01 -0.48 -2.55 0.00 0.00 0.00 176.54 173.50 2k8r h PRO 114 N -0.52 -0.08 0.00 4.80 0.11 -1.89 -3.43 132.00 130.99 2k8r h PRO 114 Ca -0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2k8r h PRO 114 Cb 0.49 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2k8r h PRO 114 CO 0.00 -0.06 0.00 -2.13 -0.21 0.00 0.00 178.00 175.61 2k8r n ARG 115 N -5.38 0.00 -3.73 1.05 0.63 -1.25 -5.16 116.66 102.82 2k8r n ARG 115 Ca 0.04 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.61 2k8r n ARG 115 Cb 0.34 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.18 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 5.39 0.00 5.15 -1.32 -1.23 -4.65 115.64 118.99 2k8r s THR 116 Ca 0.00 0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 2k8r s THR 116 Cb 0.00 -3.50 0.00 0.00 -1.51 0.00 0.00 72.50 67.49 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 2.81 0.00 -2.68 9.09 -0.00 -1.26 -4.76 115.22 118.43 2k8r n HIS 117 Ca -0.16 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.13 2k8r n HIS 117 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.49 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 3.63 0.00 4.41 2.02 -1.26 -4.77 117.35 121.38 2k8r s TYR 118 Ca 0.00 1.66 0.00 0.00 -0.37 0.00 0.00 57.07 58.36 2k8r s TYR 118 Cb 0.00 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.41 2k8r s TYR 118 CO 0.00 -0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.24 2k8r n GLY 119 N 2.94 0.62 0.48 0.71 0.00 -1.26 -4.71 105.19 103.97 2k8r n GLY 119 Ca 0.06 -1.15 0.28 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.10 1.61 4.20 -1.92 0.35 115.11 118.25 2k8r h GLN 120 Ca 0.00 0.00 0.31 0.00 0.06 0.00 0.00 58.65 59.02 2k8r h GLN 120 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 2k8r h GLN 120 CO 0.00 0.00 0.77 1.57 -0.67 0.00 0.00 178.83 180.50 2k8r h LYS 121 N 0.00 0.09 -0.00 1.46 5.09 -1.87 0.81 116.57 122.15 2k8r h LYS 121 Ca 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 61.15 2k8r h LYS 121 Cb 2.10 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 34.41 2k8r h LYS 121 CO -0.00 0.06 -0.36 0.00 -2.09 0.00 0.00 179.45 177.06 2k8r n ALA 122 N -2.69 3.26 -2.80 0.07 0.00 0.11 -4.28 120.51 114.18 2k8r n ALA 122 Ca 0.24 -0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 2k8r n ALA 122 Cb 1.11 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.07 1.01 -2.92 0.00 -0.00 0.25 -4.56 119.36 112.08 2k8r n ILE 123 Ca 0.09 -2.52 -0.13 0.00 -0.00 0.00 0.00 62.75 60.19 2k8r n ILE 123 Cb 0.34 1.25 0.04 0.00 -0.00 0.00 0.00 39.64 41.26 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 -0.79 -1.15 -4.73 1.39 7.94 0.65 -4.85 117.00 115.46 2k8r n LEU 124 Ca 0.02 -4.19 -0.36 0.00 -1.11 0.00 0.00 56.01 50.37 2k8r n LEU 124 Cb 0.82 0.84 -0.07 0.00 0.53 0.00 0.00 43.42 45.54 2k8r n LEU 124 CO 0.02 2.15 -0.04 -0.36 -1.11 0.00 0.00 177.39 178.05 2k8r s PHE 125 N -0.72 3.46 -0.40 1.96 0.08 -1.22 -3.03 117.98 118.10 2k8r s PHE 125 Ca 0.30 0.56 -0.04 0.00 0.12 0.00 0.00 56.93 57.87 2k8r s PHE 125 Cb 0.30 -2.30 0.10 0.00 -0.57 0.00 0.00 43.02 40.55 2k8r s PHE 125 CO -0.08 0.26 0.20 -1.17 -0.10 0.00 0.00 175.22 174.34 2k8r s LEU 126 N 0.40 5.15 0.00 -0.37 2.96 0.33 -0.99 118.68 126.16 2k8r s LEU 126 Ca 0.15 -1.90 0.08 0.00 -0.22 0.00 0.00 54.13 52.24 2k8r s LEU 126 Cb -0.13 -1.85 0.10 0.00 0.50 0.00 0.00 46.19 44.82 2k8r s LEU 126 CO 0.03 -0.53 0.81 -0.81 -1.32 0.00 0.00 176.35 174.54 2k8r n PRO 127 N 4.65 0.51 -3.12 0.98 -0.04 -1.26 0.51 135.00 137.23 2k8r n PRO 127 Ca -0.04 -3.01 -0.38 0.00 -0.04 0.00 0.00 63.50 60.03 2k8r n PRO 127 Cb 0.42 -0.30 -0.06 0.00 -0.04 0.00 0.00 33.50 33.52 2k8r n PRO 127 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k8r s LEU 128 N 0.00 4.46 0.66 1.53 2.96 -1.19 -4.93 118.68 122.18 2k8r s LEU 128 Ca 0.60 1.43 0.23 0.00 -0.22 0.00 0.00 54.13 56.17 2k8r s LEU 128 Cb -0.05 -3.31 1.24 0.00 0.50 0.00 0.00 46.19 44.57 2k8r s LEU 128 CO 0.39 0.15 1.70 -0.65 -1.32 0.00 0.00 176.35 176.61 2k8r h PRO 129 N 3.97 0.00 -6.17 0.98 0.11 -1.98 -3.40 132.00 125.51 2k8r h PRO 129 Ca -0.48 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.08 2k8r h PRO 129 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2k8r h PRO 129 CO 0.65 0.00 1.30 0.14 -0.21 0.00 0.00 178.00 179.88 2k8r s VAL 130 N -4.08 3.44 0.02 3.15 -7.23 -1.26 -4.94 120.40 109.50 2k8r s VAL 130 Ca -0.03 0.40 -0.15 0.00 -1.81 0.00 0.00 61.98 60.40 2k8r s VAL 130 Cb 0.07 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 33.30 2k8r s VAL 130 CO 0.21 -0.55 0.32 -0.44 -0.31 0.00 0.00 175.10 174.33 2k8r s SER 131 N 6.83 -0.18 -0.50 4.85 0.01 -1.26 -4.84 113.70 118.61 2k8r s SER 131 Ca 0.76 -0.04 -0.28 0.00 1.31 0.00 0.00 55.95 57.71 2k8r s SER 131 Cb -0.19 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.38 2k8r s SER 131 CO 0.30 -0.54 1.65 -0.94 0.41 0.00 0.00 173.24 174.11 2k8r s SER 132 N -1.71 5.82 0.00 2.44 1.04 -1.26 -4.99 113.70 115.04 2k8r s SER 132 Ca -0.09 0.62 0.26 0.00 0.48 0.00 0.00 55.95 57.22 2k8r s SER 132 Cb -0.03 -2.53 1.55 0.00 0.10 0.00 0.00 66.02 65.11 2k8r s SER 132 CO 0.00 -1.89 1.91 -0.67 0.98 0.00 0.00 173.24 173.57