#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 4.28 0.17 -3.48 0.00 -1.26 -3.84 119.74 115.60 2k8r s LYS 2 Ca 0.00 0.62 -0.07 0.00 0.00 0.00 0.00 55.97 56.52 2k8r s LYS 2 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 37.83 34.29 2k8r s LYS 2 CO 0.00 -0.10 0.25 0.15 0.00 0.00 0.00 175.35 175.64 2k8r s LYS 3 N 1.45 1.15 -0.83 1.78 1.02 -1.26 -5.06 119.74 117.99 2k8r s LYS 3 Ca 0.29 -1.27 -0.23 0.00 0.02 0.00 0.00 55.97 54.79 2k8r s LYS 3 Cb -0.16 0.35 -0.18 0.00 -0.52 0.00 0.00 37.83 37.32 2k8r s LYS 3 CO 0.12 -0.41 2.37 -2.30 -0.92 0.00 0.00 175.35 174.21 2k8r n PRO 4 N -0.21 0.46 -3.07 -1.68 -0.02 -1.25 -4.36 135.00 124.87 2k8r n PRO 4 Ca -0.06 -0.67 -0.25 0.00 -2.02 0.00 0.00 63.50 60.50 2k8r n PRO 4 Cb 0.63 -3.17 -0.00 0.00 -0.02 0.00 0.00 33.50 30.93 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 8.55 3.46 0.15 -0.52 2.20 0.47 -4.58 119.74 129.47 2k8r s LYS 5 Ca 1.01 -0.16 0.04 0.00 -0.36 0.00 0.00 55.97 56.50 2k8r s LYS 5 Cb -0.27 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.46 2k8r s LYS 5 CO 0.18 -0.03 -0.08 -0.48 -0.36 0.00 0.00 175.35 174.58 2k8r s LEU 6 N -4.50 2.48 -0.50 5.43 2.34 -1.26 -3.61 118.68 119.06 2k8r s LEU 6 Ca 0.44 -1.04 0.04 0.00 0.06 0.00 0.00 54.13 53.63 2k8r s LEU 6 Cb -0.10 -0.27 0.13 0.00 -0.56 0.00 0.00 46.19 45.39 2k8r s LEU 6 CO 0.39 -0.38 0.24 -0.22 -1.06 0.00 0.00 176.35 175.32 2k8r s LEU 7 N -3.16 4.27 -0.06 1.48 2.96 -1.26 -2.77 118.68 120.14 2k8r s LEU 7 Ca 0.17 -2.93 -0.16 0.00 -0.22 0.00 0.00 54.13 50.99 2k8r s LEU 7 Cb 0.03 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 2k8r s LEU 7 CO 0.00 -0.24 0.42 -0.47 -1.32 0.00 0.00 176.35 174.74 2k8r s TYR 8 N -0.17 3.62 -0.16 5.38 5.04 0.16 -4.32 117.35 126.90 2k8r s TYR 8 Ca 0.17 0.92 -0.01 0.00 -2.44 0.00 0.00 57.07 55.71 2k8r s TYR 8 Cb -0.25 -2.40 -0.01 0.00 0.35 0.00 0.00 41.96 39.65 2k8r s TYR 8 CO -0.01 0.43 -0.13 0.00 -1.34 0.00 0.00 175.55 174.50 2k8r n SER 10 N 4.05 4.05 -2.10 0.00 2.88 -1.16 -4.39 113.62 116.96 2k8r n SER 10 Ca -0.19 -2.84 0.01 0.00 -1.33 0.00 0.00 58.87 54.52 2k8r n SER 10 Cb 0.52 -1.64 0.03 0.00 -0.75 0.00 0.00 64.21 62.37 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 7.48 0.78 -0.66 -3.46 4.05 -1.26 -4.67 115.26 117.52 2k8r n ASN 11 Ca 0.50 -2.03 0.00 0.00 0.45 0.00 0.00 54.58 53.50 2k8r n ASN 11 Cb 0.42 -0.21 0.00 0.00 1.23 0.00 0.00 39.78 41.22 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 -0.19 -2.65 0.00 8.20 0.00 -1.26 -4.86 105.19 104.43 2k8r n GLY 12 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.40 -1.84 3.35 -0.02 0.00 -1.26 -4.87 105.19 100.94 2k8r n GLY 13 Ca 0.00 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 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 2.04 -0.05 1.61 3.76 -1.26 -4.94 115.29 116.44 2k8r s HIS 14 Ca 0.00 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.51 2k8r s HIS 14 Cb 0.00 -1.07 0.02 0.00 1.11 0.00 0.00 32.58 32.65 2k8r s HIS 14 CO 0.00 0.33 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.12 2k8r s PHE 15 N -1.44 0.78 0.00 1.40 0.40 -1.05 0.23 117.98 118.30 2k8r s PHE 15 Ca 0.13 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 2k8r s PHE 15 Cb -0.09 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.72 2k8r s PHE 15 CO 0.06 -0.24 0.00 1.47 0.70 0.00 0.00 175.22 177.22 2k8r n LEU 16 N 4.30 0.00 -3.76 -0.37 -0.00 -1.23 -4.13 117.00 111.81 2k8r n LEU 16 Ca -0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.67 2k8r n LEU 16 Cb 0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.84 2k8r n LEU 16 CO 0.20 0.00 0.02 -0.60 -0.00 0.00 0.00 177.39 177.02 2k8r s ARG 17 N 0.00 0.63 -0.08 1.47 3.52 -1.22 -3.59 118.95 119.67 2k8r s ARG 17 Ca 0.00 -0.09 -0.05 0.00 -0.13 0.00 0.00 55.73 55.46 2k8r s ARG 17 Cb 0.00 0.28 0.03 0.00 -1.56 0.00 0.00 34.95 33.70 2k8r s ARG 17 CO 0.00 -0.16 0.19 -1.50 -0.81 0.00 0.00 175.30 173.02 2k8r s ILE 18 N -1.09 -0.03 -0.18 4.11 1.10 -1.26 -2.64 121.20 121.20 2k8r s ILE 18 Ca -0.11 0.10 -0.08 0.00 -0.51 0.00 0.00 60.65 60.04 2k8r s ILE 18 Cb -0.05 -0.29 -0.04 0.00 0.15 0.00 0.00 42.46 42.23 2k8r s ILE 18 CO 0.04 0.04 0.10 -0.76 -2.11 0.00 0.00 174.94 172.24 2k8r s LEU 19 N 0.79 4.03 0.40 8.50 2.01 0.29 -4.86 118.68 129.82 2k8r s LEU 19 Ca -0.06 0.18 0.22 0.00 0.01 0.00 0.00 54.13 54.48 2k8r s LEU 19 Cb -0.07 -2.02 1.24 0.00 0.01 0.00 0.00 46.19 45.35 2k8r s LEU 19 CO -0.04 0.20 1.67 1.55 1.01 0.00 0.00 176.35 180.74 2k8r h PRO 20 N 6.51 0.22 -0.18 1.29 0.13 -1.87 0.76 132.00 138.86 2k8r h PRO 20 Ca -0.40 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.76 2k8r h PRO 20 Cb 1.16 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2k8r h PRO 20 CO 0.72 0.15 0.35 -0.44 -0.23 0.00 0.00 178.00 178.54 2k8r h ASP 21 N 0.23 0.00 0.00 1.44 5.19 -1.95 -3.39 116.42 117.95 2k8r h ASP 21 Ca 0.74 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.15 2k8r h ASP 21 Cb 2.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.54 2k8r h ASP 21 CO -0.46 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.27 2k8r n GLY 22 N -1.34 0.71 3.41 2.75 0.00 0.26 -4.94 105.19 106.04 2k8r n GLY 22 Ca 0.02 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.27 0.00 -0.03 2.61 2.01 -0.96 -4.57 115.64 113.44 2k8r s THR 23 Ca 0.00 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.03 2k8r s THR 23 Cb 0.00 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 2k8r s THR 23 CO 0.00 -0.02 -0.21 0.54 -0.69 0.00 0.00 174.62 174.24 2k8r s VAL 24 N 0.06 1.66 0.07 3.82 0.11 -1.26 0.10 120.40 124.96 2k8r s VAL 24 Ca -0.02 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.15 2k8r s VAL 24 Cb -0.03 -1.39 0.00 0.00 -1.53 0.00 0.00 36.38 33.43 2k8r s VAL 24 CO 0.02 0.47 0.10 -0.90 -3.33 0.00 0.00 175.10 171.45 2k8r n ASP 25 N 2.72 -0.28 -4.76 3.54 5.75 -1.08 -4.06 116.55 118.37 2k8r n ASP 25 Ca -0.16 -1.37 -0.39 0.00 -0.01 0.00 0.00 54.79 52.86 2k8r n ASP 25 Cb 0.53 0.51 -0.06 0.00 -1.03 0.00 0.00 41.12 41.07 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 -1.42 3.03 0.15 6.12 0.00 -1.24 -3.45 107.32 110.51 2k8r s GLY 26 Ca 0.06 0.67 -0.24 0.00 0.00 0.00 0.00 44.72 45.20 2k8r s GLY 26 CO 0.04 1.21 0.71 -1.59 0.00 0.00 0.00 173.10 173.47 2k8r s THR 27 N -1.29 0.00 -0.07 0.90 2.01 0.13 -4.80 115.64 112.52 2k8r s THR 27 Ca 0.44 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.22 2k8r s THR 27 Cb -0.26 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 70.97 2k8r s THR 27 CO 0.32 0.00 -0.18 0.00 -0.69 0.00 0.00 174.62 174.07 2k8r s ARG 28 N -3.62 2.29 0.08 4.92 1.70 -1.26 -2.52 118.95 120.54 2k8r s ARG 28 Ca 0.05 -0.66 -0.04 0.00 -0.47 0.00 0.00 55.73 54.61 2k8r s ARG 28 Cb -0.02 -1.82 0.01 0.00 -0.57 0.00 0.00 34.95 32.55 2k8r s ARG 28 CO -0.07 0.14 0.19 -3.47 -1.08 0.00 0.00 175.30 171.01 2k8r n ASP 29 N 3.54 -0.50 -4.09 -2.89 -0.08 -1.26 -5.07 116.55 106.19 2k8r n ASP 29 Ca -0.20 -1.33 -0.43 0.00 -1.51 0.00 0.00 54.79 51.31 2k8r n ASP 29 Cb 0.52 0.83 0.01 0.00 2.34 0.00 0.00 41.12 44.82 2k8r n ASP 29 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2k8r n ARG 30 N -0.13 3.93 0.00 -0.67 3.00 -1.26 -4.79 116.66 116.74 2k8r n ARG 30 Ca -0.02 -4.17 0.00 0.00 -0.00 0.00 0.00 57.85 53.66 2k8r n ARG 30 Cb 0.13 -2.70 0.00 0.00 0.00 0.00 0.00 32.46 29.90 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 2.83 0.00 -4.68 6.15 7.64 -1.26 -4.92 113.62 119.37 2k8r n SER 31 Ca 0.31 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.75 2k8r n SER 31 Cb 0.36 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.55 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 2.91 2.74 0.00 6.43 8.00 -1.26 -4.10 116.55 131.26 2k8r n ASP 32 Ca 0.00 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.68 2k8r n ASP 32 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.64 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 1.21 0.00 0.19 -1.24 7.27 -1.26 -4.68 117.38 118.87 2k8r n GLN 33 Ca 0.08 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.19 2k8r n GLN 33 Cb 0.34 0.00 0.38 0.00 2.41 0.00 0.00 30.24 33.37 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 0.00 0.00 3.69 6.17 -1.89 -3.44 115.15 119.68 2k8r h HIS 34 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2k8r h HIS 34 Cb 0.00 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.93 2k8r h HIS 34 CO 0.00 0.37 0.00 -0.89 0.71 0.00 0.00 177.93 178.12 2k8r n ILE 35 N -3.91 0.00 -3.27 6.26 5.41 -1.26 -5.00 119.36 117.59 2k8r n ILE 35 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.77 2k8r n ILE 35 Cb 0.43 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.33 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 -2.00 0.24 -0.11 0.38 0.74 -1.26 -4.82 119.66 112.83 2k8r s GLN 36 Ca 0.00 0.52 -0.10 0.00 0.05 0.00 0.00 55.36 55.83 2k8r s GLN 36 Cb 0.00 0.31 -0.05 0.00 1.10 0.00 0.00 33.01 34.37 2k8r s GLN 36 CO 0.00 -0.16 0.23 -1.17 -0.55 0.00 0.00 175.29 173.64 2k8r s LEU 37 N 2.61 4.36 0.09 3.68 0.20 -1.24 0.19 118.68 128.58 2k8r s LEU 37 Ca -0.00 0.56 0.07 0.00 0.69 0.00 0.00 54.13 55.44 2k8r s LEU 37 Cb -0.07 -2.25 -0.03 0.00 -0.43 0.00 0.00 46.19 43.41 2k8r s LEU 37 CO -0.15 0.31 -0.17 -1.10 -0.29 0.00 0.00 176.35 174.94 2k8r s GLN 38 N -0.60 0.99 -0.31 1.98 -0.21 0.42 0.18 119.66 122.11 2k8r s GLN 38 Ca 0.16 -1.09 0.04 0.00 0.02 0.00 0.00 55.36 54.49 2k8r s GLN 38 Cb -0.13 -1.11 0.17 0.00 1.00 0.00 0.00 33.01 32.94 2k8r s GLN 38 CO 0.05 0.25 0.48 -1.17 -2.12 0.00 0.00 175.29 172.79 2k8r s LEU 39 N -1.90 -1.07 0.00 2.90 0.20 -1.25 0.76 118.68 118.31 2k8r s LEU 39 Ca 0.03 -0.33 -0.16 0.00 0.69 0.00 0.00 54.13 54.36 2k8r s LEU 39 Cb -0.09 1.43 0.05 0.00 -0.43 0.00 0.00 46.19 47.15 2k8r s LEU 39 CO 0.03 -0.31 0.73 -1.20 -0.29 0.00 0.00 176.35 175.31 2k8r n SER 40 N 5.20 -0.75 0.00 3.68 7.64 -1.17 -3.55 113.62 124.67 2k8r n SER 40 Ca 0.04 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.72 2k8r n SER 40 Cb 0.51 1.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.89 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 -1.77 0.00 -1.10 -0.43 0.00 -1.26 -4.20 120.51 111.74 2k8r n ALA 41 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 2k8r n ALA 41 Cb 0.34 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 1.01 0.62 0.00 0.41 -1.26 -5.03 118.70 114.45 2k8r s GLU 42 Ca 0.00 0.87 -0.08 0.00 -0.41 0.00 0.00 54.97 55.35 2k8r s GLU 42 Cb 0.00 -1.78 0.00 0.00 -1.78 0.00 0.00 34.13 30.58 2k8r s GLU 42 CO 0.00 -2.42 0.96 -1.54 -0.49 0.00 0.00 175.26 171.77 2k8r s SER 43 N -3.28 5.64 -0.30 -0.19 1.04 -1.26 -4.83 113.70 110.53 2k8r s SER 43 Ca 0.64 0.91 -0.27 0.00 0.48 0.00 0.00 55.95 57.71 2k8r s SER 43 Cb -0.19 -1.87 -0.12 0.00 0.10 0.00 0.00 66.02 63.94 2k8r s SER 43 CO 0.58 -1.10 1.07 0.55 0.98 0.00 0.00 173.24 175.32 2k8r n VAL 44 N -2.70 0.00 0.00 5.02 3.14 -1.26 0.55 118.33 123.07 2k8r n VAL 44 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 2k8r n VAL 44 Cb 0.57 -0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 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 3.17 3.00 3.77 7.55 0.00 -1.26 -5.03 105.19 116.39 2k8r n GLY 45 Ca 0.24 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 4.39 -0.05 1.61 2.02 0.19 -2.86 118.70 124.00 2k8r s GLU 46 Ca 0.00 1.64 -0.03 0.00 0.02 0.00 0.00 54.97 56.61 2k8r s GLU 46 Cb 0.00 -2.85 0.03 0.00 0.10 0.00 0.00 34.13 31.41 2k8r s GLU 46 CO 0.00 0.03 0.12 0.14 0.02 0.00 0.00 175.26 175.58 2k8r s VAL 47 N -1.42 -0.04 -0.29 2.63 -7.23 0.72 -4.24 120.40 110.53 2k8r s VAL 47 Ca 0.51 0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 60.77 2k8r s VAL 47 Cb -0.27 -0.20 0.01 0.00 0.56 0.00 0.00 36.38 36.48 2k8r s VAL 47 CO 0.34 0.06 0.07 -0.47 -0.31 0.00 0.00 175.10 174.79 2k8r s TYR 48 N 0.92 3.13 -0.09 2.82 5.04 -1.26 -1.42 117.35 126.50 2k8r s TYR 48 Ca -0.07 -0.97 -0.21 0.00 -2.44 0.00 0.00 57.07 53.37 2k8r s TYR 48 Cb -0.09 -2.24 -0.04 0.00 0.35 0.00 0.00 41.96 39.94 2k8r s TYR 48 CO -0.04 -0.57 0.61 0.42 -1.34 0.00 0.00 175.55 174.63 2k8r s ILE 49 N 1.50 5.10 -0.22 3.14 1.01 -1.26 -3.06 121.20 127.41 2k8r s ILE 49 Ca 0.03 1.25 -0.02 0.00 0.00 0.00 0.00 60.65 61.91 2k8r s ILE 49 Cb -0.17 -3.95 0.07 0.00 0.01 0.00 0.00 42.46 38.41 2k8r s ILE 49 CO 0.02 0.27 0.03 -0.75 0.00 0.00 0.00 174.94 174.51 2k8r s LYS 50 N 0.78 0.87 -0.49 2.79 2.47 0.23 -4.31 119.74 122.08 2k8r s LYS 50 Ca 0.33 -0.64 -0.18 0.00 -1.56 0.00 0.00 55.97 53.92 2k8r s LYS 50 Cb -0.17 -2.20 0.06 0.00 -1.46 0.00 0.00 37.83 34.07 2k8r s LYS 50 CO 0.15 -0.68 0.52 -1.12 0.16 0.00 0.00 175.35 174.37 2k8r s SER 51 N 1.72 6.19 0.00 1.43 0.01 -1.26 0.16 113.70 121.95 2k8r s SER 51 Ca -0.00 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2k8r s SER 51 Cb -0.17 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2k8r s SER 51 CO -0.10 -0.77 0.00 0.41 0.41 0.00 0.00 173.24 173.19 2k8r n THR 52 N 5.44 -0.57 -0.27 1.44 -1.04 0.50 -4.26 114.28 115.53 2k8r n THR 52 Ca -0.09 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 61.99 2k8r n THR 52 Cb 0.45 -0.57 0.21 0.00 -1.82 0.00 0.00 70.33 68.60 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 0.40 -2.80 -2.82 4.57 -1.89 -3.42 114.58 108.62 2k8r h GLU 53 Ca 0.00 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 2k8r h GLU 53 Cb 0.00 -0.09 -0.20 0.00 -0.16 0.00 0.00 28.75 28.30 2k8r h GLU 53 CO 0.00 0.27 -0.17 0.95 -1.18 0.00 0.00 179.01 178.87 2k8r s THR 54 N -5.99 0.04 0.00 0.32 -4.23 -1.26 -4.91 115.64 99.60 2k8r s THR 54 Ca -0.12 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2k8r s THR 54 Cb 0.22 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.36 2k8r s THR 54 CO 0.77 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 2k8r n GLY 55 N 1.26 0.44 3.12 3.99 0.00 -1.26 -5.05 105.19 107.69 2k8r n GLY 55 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.89 0.56 -0.09 1.61 -1.52 -1.26 -4.81 119.66 113.27 2k8r s GLN 56 Ca 0.00 -0.55 -0.05 0.00 -1.95 0.00 0.00 55.36 52.81 2k8r s GLN 56 Cb 0.00 0.23 0.04 0.00 -0.22 0.00 0.00 33.01 33.05 2k8r s GLN 56 CO 0.00 -0.14 0.21 -0.47 -0.25 0.00 0.00 175.29 174.64 2k8r s TYR 57 N -1.98 -0.26 -0.17 0.91 6.14 -1.26 -4.66 117.35 116.08 2k8r s TYR 57 Ca -0.10 0.64 -0.16 0.00 0.64 0.00 0.00 57.07 58.09 2k8r s TYR 57 Cb -0.04 0.03 -0.04 0.00 0.42 0.00 0.00 41.96 42.33 2k8r s TYR 57 CO -0.01 -0.17 0.38 -1.17 0.64 0.00 0.00 175.55 175.21 2k8r s LEU 58 N 0.83 4.20 0.01 6.97 1.98 -1.26 0.14 118.68 131.56 2k8r s LEU 58 Ca -0.06 0.57 -0.09 0.00 -2.89 0.00 0.00 54.13 51.66 2k8r s LEU 58 Cb -0.07 -2.51 0.00 0.00 0.66 0.00 0.00 46.19 44.27 2k8r s LEU 58 CO -0.05 -0.01 0.17 0.00 -1.89 0.00 0.00 176.35 174.57 2k8r s ALA 59 N 0.93 -0.36 -0.16 5.97 0.00 0.61 -4.61 121.76 124.14 2k8r s ALA 59 Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 2k8r s ALA 59 Cb -0.14 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2k8r s ALA 59 CO 0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 175.76 175.54 2k8r s MET 60 N -1.78 3.69 0.46 0.00 0.23 -1.25 -0.19 119.30 120.46 2k8r s MET 60 Ca -0.11 -0.51 -0.23 0.00 -1.03 0.00 0.00 55.69 53.80 2k8r s MET 60 Cb -0.05 -2.93 -0.07 0.00 -1.53 0.00 0.00 34.83 30.25 2k8r s MET 60 CO 0.00 0.25 1.23 0.34 -2.03 0.00 0.00 175.02 174.81 2k8r s ASP 61 N 0.35 6.04 0.50 -1.18 -1.08 0.31 -4.89 116.67 116.71 2k8r s ASP 61 Ca -0.04 2.46 0.16 0.00 -0.52 0.00 0.00 52.55 54.61 2k8r s ASP 61 Cb -0.14 -2.62 1.20 0.00 -1.46 0.00 0.00 42.92 39.91 2k8r s ASP 61 CO 0.03 -1.02 2.09 0.00 0.52 0.00 0.00 175.17 176.79 2k8r h THR 62 N 1.92 0.96 0.00 1.71 1.03 -1.99 -3.35 112.91 113.19 2k8r h THR 62 Ca -0.50 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 65.86 2k8r h THR 62 Cb 1.26 0.82 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 2k8r h THR 62 CO 0.60 0.02 0.00 -0.67 -0.01 0.00 0.00 175.52 175.47 2k8r n ASP 63 N -4.49 0.00 -2.37 0.00 2.03 -1.26 -4.93 116.55 105.53 2k8r n ASP 63 Ca 0.02 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.30 2k8r n ASP 63 Cb 0.21 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.70 2k8r n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k8r n GLY 64 N 1.40 1.76 3.15 0.27 0.00 -1.26 -4.74 105.19 105.77 2k8r n GLY 64 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.33 2.42 -0.03 0.99 1.98 -1.26 -0.61 118.68 118.84 2k8r s LEU 65 Ca 0.09 -0.84 0.06 0.00 -2.89 0.00 0.00 54.13 50.55 2k8r s LEU 65 Cb 0.36 -0.17 -0.01 0.00 0.66 0.00 0.00 46.19 47.03 2k8r s LEU 65 CO -0.10 -0.34 -0.21 -0.76 -1.89 0.00 0.00 176.35 173.05 2k8r s LEU 66 N -2.51 2.02 0.28 -0.68 1.02 -1.26 0.11 118.68 117.65 2k8r s LEU 66 Ca 0.05 -0.39 -0.11 0.00 0.02 0.00 0.00 54.13 53.70 2k8r s LEU 66 Cb -0.01 -1.09 0.00 0.00 0.02 0.00 0.00 46.19 45.11 2k8r s LEU 66 CO -0.02 0.23 0.51 -0.72 0.02 0.00 0.00 176.35 176.37 2k8r s TYR 67 N -0.32 0.47 -0.25 0.29 1.13 0.73 -4.67 117.35 114.73 2k8r s TYR 67 Ca 0.04 -0.84 0.00 0.00 -1.41 0.00 0.00 57.07 54.86 2k8r s TYR 67 Cb -0.10 0.20 0.04 0.00 -1.10 0.00 0.00 41.96 41.00 2k8r s TYR 67 CO 0.00 -1.07 -0.09 0.20 -2.51 0.00 0.00 175.55 172.09 2k8r s GLY 68 N -3.06 1.62 -0.24 5.49 0.00 -1.26 -0.28 107.32 109.59 2k8r s GLY 68 Ca 0.23 -1.57 -0.25 0.00 0.00 0.00 0.00 44.72 43.14 2k8r s GLY 68 CO 0.11 0.54 0.69 -0.56 0.00 0.00 0.00 173.10 173.88 2k8r s SER 69 N 1.24 -0.71 -0.67 1.64 0.01 0.38 -2.91 113.70 112.68 2k8r s SER 69 Ca -0.03 1.31 -0.26 0.00 1.31 0.00 0.00 55.95 58.29 2k8r s SER 69 Cb -0.18 1.31 -0.11 0.00 0.21 0.00 0.00 66.02 67.25 2k8r s SER 69 CO -0.05 -0.28 2.42 1.67 0.41 0.00 0.00 173.24 177.41 2k8r n GLN 70 N 2.51 0.75 -3.22 12.44 0.00 -1.26 -4.04 117.38 124.57 2k8r n GLN 70 Ca -0.14 -0.50 -0.01 0.00 -0.00 0.00 0.00 57.00 56.34 2k8r n GLN 70 Cb 0.55 -3.58 -0.02 0.00 0.00 0.00 0.00 30.24 27.20 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 13.73 -0.89 0.06 1.69 2.01 -1.26 -5.01 115.64 125.97 2k8r s THR 71 Ca 0.96 -0.13 -0.31 0.00 0.31 0.00 0.00 61.69 62.51 2k8r s THR 71 Cb -0.16 -0.55 -0.07 0.00 0.01 0.00 0.00 72.50 71.74 2k8r s THR 71 CO 0.16 -0.09 1.41 -2.16 -0.69 0.00 0.00 174.62 173.24 2k8r s PRO 72 N 2.25 4.30 -0.10 4.92 0.04 -1.26 -4.90 135.00 140.25 2k8r s PRO 72 Ca 0.13 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 62.88 2k8r s PRO 72 Cb -0.08 -3.42 0.12 0.00 0.04 0.00 0.00 34.50 31.16 2k8r s PRO 72 CO -0.16 -0.51 1.10 1.21 0.04 0.00 0.00 177.00 178.67 2k8r s ASN 73 N 1.54 -0.21 0.54 6.66 3.84 -1.26 -5.01 114.94 121.03 2k8r s ASN 73 Ca 0.65 -0.03 0.25 0.00 0.21 0.00 0.00 52.86 53.94 2k8r s ASN 73 Cb -0.34 0.24 1.42 0.00 -0.55 0.00 0.00 41.25 42.02 2k8r s ASN 73 CO 0.29 -0.40 2.02 -0.33 -2.79 0.00 0.00 177.10 175.89 2k8r h GLU 74 N 2.00 0.00 0.00 0.43 5.08 -2.00 -1.20 114.58 118.89 2k8r h GLU 74 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2k8r h GLU 74 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k8r h GLU 74 CO 0.26 0.00 0.39 0.93 -1.00 0.00 0.00 179.01 179.59 2k8r h GLU 75 N 0.00 0.00 0.00 2.33 4.39 -1.95 0.54 114.58 119.90 2k8r h GLU 75 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2k8r h GLU 75 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 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 -2.65 3.50 0.37 0.00 2.01 0.19 -4.15 118.68 117.95 2k8r s LEU 77 Ca 0.23 0.17 0.08 0.00 0.01 0.00 0.00 54.13 54.62 2k8r s LEU 77 Cb 0.18 -3.24 -0.05 0.00 0.01 0.00 0.00 46.19 43.09 2k8r s LEU 77 CO 0.42 -1.43 0.10 -0.36 1.01 0.00 0.00 176.35 176.09 2k8r s PHE 78 N 4.84 2.60 -0.20 0.29 0.08 -0.51 -2.39 117.98 122.70 2k8r s PHE 78 Ca 0.44 -0.49 0.01 0.00 0.12 0.00 0.00 56.93 57.01 2k8r s PHE 78 Cb -0.07 -1.70 0.04 0.00 -0.57 0.00 0.00 43.02 40.71 2k8r s PHE 78 CO 0.27 0.34 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.42 2k8r s LEU 79 N -3.81 2.44 -0.38 -0.37 1.98 0.65 -0.20 118.68 118.99 2k8r s LEU 79 Ca 0.38 -0.88 -0.13 0.00 -2.89 0.00 0.00 54.13 50.61 2k8r s LEU 79 Cb 0.01 -1.39 0.01 0.00 0.66 0.00 0.00 46.19 45.49 2k8r s LEU 79 CO 0.21 -0.10 0.24 -0.70 -1.89 0.00 0.00 176.35 174.12 2k8r s GLU 80 N 1.30 3.05 -0.59 1.98 2.12 -1.13 -0.75 118.70 124.67 2k8r s GLU 80 Ca -0.00 -0.95 -0.06 0.00 0.36 0.00 0.00 54.97 54.32 2k8r s GLU 80 Cb -0.16 -3.83 0.15 0.00 0.26 0.00 0.00 34.13 30.56 2k8r s GLU 80 CO -0.09 -0.65 0.43 0.50 -0.54 0.00 0.00 175.26 174.91 2k8r s ARG 81 N 1.64 2.61 -0.38 4.30 3.52 0.23 -4.81 118.95 126.06 2k8r s ARG 81 Ca 0.04 -2.23 -0.19 0.00 -0.13 0.00 0.00 55.73 53.22 2k8r s ARG 81 Cb -0.19 -3.86 0.01 0.00 -1.56 0.00 0.00 34.95 29.35 2k8r s ARG 81 CO 0.09 -1.18 0.56 -1.17 -0.81 0.00 0.00 175.30 172.79 2k8r s LEU 82 N 0.49 4.43 0.05 -0.88 2.96 -1.26 0.10 118.68 124.58 2k8r s LEU 82 Ca 0.13 -0.16 -0.21 0.00 -0.22 0.00 0.00 54.13 53.67 2k8r s LEU 82 Cb -0.21 -2.64 -0.13 0.00 0.50 0.00 0.00 46.19 43.72 2k8r s LEU 82 CO -0.04 -0.60 1.45 -0.08 -1.32 0.00 0.00 176.35 175.76 2k8r h GLU 83 N 8.61 0.27 0.00 1.98 4.22 -1.87 -3.48 114.58 124.31 2k8r h GLU 83 Ca -0.27 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.07 2k8r h GLU 83 Cb 1.11 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2k8r h GLU 83 CO 0.82 0.54 0.00 -0.85 -2.18 0.00 0.00 179.01 177.34 2k8r n GLU 84 N -4.72 0.00 -0.77 1.92 0.28 -1.22 -5.02 120.64 111.11 2k8r n GLU 84 Ca -0.06 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.59 2k8r n GLU 84 Cb 0.25 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.06 2k8r n GLU 84 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2k8r n ASN 85 N 0.00 2.24 -2.75 -1.84 5.15 -1.26 -4.31 115.26 112.49 2k8r n ASN 85 Ca 0.00 -2.49 -0.10 0.00 -0.60 0.00 0.00 54.58 51.39 2k8r n ASN 85 Cb 0.00 -0.88 -0.01 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 7.02 -1.73 -3.53 1.20 1.44 -1.26 -4.87 115.22 113.48 2k8r n HIS 86 Ca 0.42 0.11 -0.15 0.00 -2.01 0.00 0.00 57.72 56.09 2k8r n HIS 86 Cb 0.31 -1.88 -0.05 0.00 0.12 0.00 0.00 29.99 28.49 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 -2.41 -0.56 0.33 -1.40 1.13 -1.26 -4.65 117.35 108.54 2k8r s TYR 87 Ca 0.11 0.91 0.07 0.00 -1.41 0.00 0.00 57.07 56.75 2k8r s TYR 87 Cb -0.06 0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 41.20 2k8r s TYR 87 CO 0.14 -0.54 0.26 0.54 -2.51 0.00 0.00 175.55 173.44 2k8r s ASN 88 N -1.30 1.72 -0.04 -0.18 2.20 0.06 -2.64 114.94 114.76 2k8r s ASN 88 Ca -0.07 -1.74 0.00 0.00 -0.94 0.00 0.00 52.86 50.11 2k8r s ASN 88 Cb -0.00 0.55 0.03 0.00 -2.00 0.00 0.00 41.25 39.82 2k8r s ASN 88 CO 0.06 -1.04 -0.01 0.42 -2.94 0.00 0.00 177.10 173.58 2k8r s THR 89 N -3.45 0.30 -0.24 0.54 -4.23 0.29 -3.42 115.64 105.42 2k8r s THR 89 Ca 0.39 0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 60.89 2k8r s THR 89 Cb 0.03 -0.40 -0.03 0.00 1.34 0.00 0.00 72.50 73.44 2k8r s THR 89 CO 0.26 0.19 0.05 -0.31 -0.54 0.00 0.00 174.62 174.27 2k8r s TYR 90 N 1.26 3.07 0.20 3.99 2.02 -1.26 0.78 117.35 127.41 2k8r s TYR 90 Ca -0.06 -0.49 0.09 0.00 -0.37 0.00 0.00 57.07 56.24 2k8r s TYR 90 Cb -0.13 -2.21 -0.05 0.00 -0.40 0.00 0.00 41.96 39.17 2k8r s TYR 90 CO -0.02 -0.37 -0.17 0.96 -1.57 0.00 0.00 175.55 174.38 2k8r s ILE 91 N 1.56 1.90 -0.12 2.71 -4.36 0.07 -2.95 121.20 120.01 2k8r s ILE 91 Ca 0.06 -2.15 -0.29 0.00 -0.26 0.00 0.00 60.65 58.01 2k8r s ILE 91 Cb -0.15 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 2k8r s ILE 91 CO 0.03 -0.46 1.52 -0.44 0.24 0.00 0.00 174.94 175.82 2k8r s SER 92 N -3.12 6.71 -0.04 4.36 0.01 -1.26 -0.25 113.70 120.11 2k8r s SER 92 Ca 0.21 1.96 -0.07 0.00 1.31 0.00 0.00 55.95 59.36 2k8r s SER 92 Cb -0.03 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2k8r s SER 92 CO 0.08 -0.92 0.36 0.50 0.41 0.00 0.00 173.24 173.67 2k8r h LYS 93 N 9.28 -0.24 -0.90 12.44 3.11 -1.73 -3.17 116.57 135.35 2k8r h LYS 93 Ca -0.34 0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.58 2k8r h LYS 93 Cb 1.15 0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 32.37 2k8r h LYS 93 CO 0.97 -0.16 0.57 -0.22 -2.81 0.00 0.00 179.45 177.79 2k8r h LYS 94 N -0.77 1.00 -1.72 1.90 3.64 -1.86 -2.25 116.57 116.51 2k8r h LYS 94 Ca -0.03 -0.06 -0.51 0.00 -1.27 0.00 0.00 60.65 58.79 2k8r h LYS 94 Cb 0.19 -0.23 -0.19 0.00 -0.41 0.00 0.00 32.23 31.59 2k8r h LYS 94 CO 0.04 0.66 0.55 0.72 -2.27 0.00 0.00 179.45 179.16 2k8r n HIS 95 N -4.58 1.98 -0.30 1.91 8.25 -1.26 -4.66 115.22 116.56 2k8r n HIS 95 Ca 0.13 -2.15 0.27 0.00 -0.26 0.00 0.00 57.72 55.71 2k8r n HIS 95 Cb 0.18 -1.24 0.61 0.00 1.12 0.00 0.00 29.99 30.65 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 2.40 2.56 -0.17 -1.41 0.00 -1.37 0.47 119.26 121.73 2k8r h ALA 96 Ca 0.41 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.39 2k8r h ALA 96 Cb 0.70 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2k8r h ALA 96 CO 1.01 -0.92 0.14 0.93 0.00 0.00 0.00 179.25 180.42 2k8r h GLU 97 N 0.23 0.00 -2.09 0.00 4.39 -1.88 -3.02 114.58 112.21 2k8r h GLU 97 Ca 0.55 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.73 2k8r h GLU 97 Cb 1.72 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.96 2k8r h GLU 97 CO -0.17 0.00 -0.98 1.63 -1.16 0.00 0.00 179.01 178.33 2k8r n LYS 98 N -4.25 1.86 -2.13 2.33 5.02 0.16 -5.03 118.16 116.13 2k8r n LYS 98 Ca 0.01 -3.95 -0.32 0.00 -2.02 0.00 0.00 58.31 52.03 2k8r n LYS 98 Cb 0.27 -1.91 -0.05 0.00 -0.02 0.00 0.00 35.03 33.32 2k8r n LYS 98 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2k8r n ASN 99 N 0.07 3.41 -4.64 4.39 6.94 -1.13 -4.74 115.26 119.57 2k8r n ASN 99 Ca 0.27 -2.74 -0.39 0.00 -0.02 0.00 0.00 54.58 51.70 2k8r n ASN 99 Cb 0.56 -1.72 -0.08 0.00 -2.36 0.00 0.00 39.78 36.18 2k8r n ASN 99 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2k8r s TRP 100 N 9.53 3.31 0.34 -2.53 0.23 -1.26 -4.79 118.94 123.77 2k8r s TRP 100 Ca 0.65 0.57 -0.28 0.00 -2.03 0.00 0.00 56.10 55.02 2k8r s TRP 100 Cb 0.01 -2.60 -0.12 0.00 0.03 0.00 0.00 33.47 30.79 2k8r s TRP 100 CO 0.12 -0.15 1.29 1.19 0.96 0.00 0.00 176.95 180.37 2k8r n PHE 101 N 5.01 2.28 0.00 -1.98 3.72 -1.26 -4.46 117.46 120.77 2k8r n PHE 101 Ca -0.07 0.55 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 2k8r n PHE 101 Cb 0.51 -2.42 0.00 0.00 -0.94 0.00 0.00 39.48 36.63 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 0.36 0.00 0.00 -4.37 0.24 -1.15 -4.59 118.33 108.83 2k8r n VAL 102 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2k8r n VAL 102 Cb 0.36 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.50 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 3.42 3.93 3.44 7.63 0.00 -1.26 -4.54 105.19 117.81 2k8r n GLY 103 Ca 0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 2k8r n GLY 103 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k8r s LEU 104 N 0.00 2.56 -0.14 0.99 2.34 -1.26 0.13 118.68 123.30 2k8r s LEU 104 Ca 0.00 -1.13 -0.04 0.00 0.06 0.00 0.00 54.13 53.03 2k8r s LEU 104 Cb 0.00 -0.79 -0.03 0.00 -0.56 0.00 0.00 46.19 44.81 2k8r s LEU 104 CO 0.00 -0.21 -0.02 -0.75 -1.06 0.00 0.00 176.35 174.31 2k8r s LYS 105 N -3.65 3.56 0.40 1.48 2.47 0.41 -4.89 119.74 119.51 2k8r s LYS 105 Ca 0.29 -0.48 0.25 0.00 -1.56 0.00 0.00 55.97 54.47 2k8r s LYS 105 Cb 0.01 -2.92 1.38 0.00 -1.46 0.00 0.00 37.83 34.84 2k8r s LYS 105 CO 0.12 0.34 1.60 1.57 0.16 0.00 0.00 175.35 179.14 2k8r h LYS 106 N 6.37 0.05 -1.12 4.03 2.10 -1.89 0.77 116.57 126.88 2k8r h LYS 106 Ca -0.36 -0.00 0.32 0.00 -2.00 0.00 0.00 60.65 58.61 2k8r h LYS 106 Cb 1.19 -0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 32.46 2k8r h LYS 106 CO 0.62 0.03 0.80 -0.97 -2.00 0.00 0.00 179.45 177.93 2k8r h ASN 107 N 0.05 0.02 0.00 7.07 -0.73 -1.96 -3.28 115.58 116.76 2k8r h ASN 107 Ca 0.84 0.00 0.00 0.00 1.87 0.00 0.00 56.30 59.02 2k8r h ASN 107 Cb 2.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 41.01 2k8r h ASN 107 CO -0.60 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.07 2k8r n GLY 108 N -1.74 0.73 3.57 1.57 0.00 0.26 -4.99 105.19 104.60 2k8r n GLY 108 Ca 0.24 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.40 -0.72 -0.04 1.61 0.01 -1.07 -4.90 113.70 108.20 2k8r s SER 109 Ca 0.00 1.35 -0.12 0.00 1.31 0.00 0.00 55.95 58.49 2k8r s SER 109 Cb 0.00 1.35 -0.05 0.00 0.21 0.00 0.00 66.02 67.53 2k8r s SER 109 CO 0.00 -0.23 0.32 0.00 0.41 0.00 0.00 173.24 173.73 2k8r s LYS 111 N -1.06 1.54 0.03 0.00 -0.14 0.36 -4.87 119.74 115.60 2k8r s LYS 111 Ca 0.21 -2.19 0.00 0.00 -1.36 0.00 0.00 55.97 52.62 2k8r s LYS 111 Cb -0.15 -2.76 0.00 0.00 -1.68 0.00 0.00 37.83 33.24 2k8r s LYS 111 CO 0.10 -1.12 0.00 -2.13 -0.76 0.00 0.00 175.35 171.44 2k8r n ARG 112 N 3.48 0.00 -0.01 1.68 0.00 -1.20 -4.27 116.66 116.33 2k8r n ARG 112 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.78 2k8r n ARG 112 Cb 0.34 -0.46 -0.10 0.00 0.00 0.00 0.00 32.46 32.24 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 -0.01 -0.79 5.14 0.00 -1.15 -3.30 103.07 102.96 2k8r h GLY 113 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 2k8r h GLY 113 CO 0.00 -0.00 -0.36 -0.56 0.00 0.00 0.00 176.54 175.62 2k8r h PRO 114 N -0.53 -0.05 0.00 4.80 0.13 -1.89 -3.43 132.00 131.03 2k8r h PRO 114 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k8r h PRO 114 Cb 0.52 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2k8r h PRO 114 CO 0.00 -0.04 0.00 -2.13 -0.23 0.00 0.00 178.00 175.61 2k8r n ARG 115 N -5.47 0.00 -3.79 0.86 0.63 -1.25 -5.15 116.66 102.49 2k8r n ARG 115 Ca 0.08 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.65 2k8r n ARG 115 Cb 0.39 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.17 2k8r n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2k8r s THR 116 N 0.00 4.02 0.00 5.15 2.01 -1.24 -4.75 115.64 120.83 2k8r s THR 116 Ca 0.00 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2k8r s THR 116 Cb 0.00 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.62 2k8r s THR 116 CO 0.00 0.33 0.00 1.41 -0.69 0.00 0.00 174.62 175.67 2k8r n HIS 117 N 4.88 0.00 -3.16 4.92 -0.00 -1.26 -4.86 115.22 115.75 2k8r n HIS 117 Ca -0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.29 2k8r n HIS 117 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.48 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 3.51 0.00 4.41 2.02 -1.26 -4.82 117.35 121.20 2k8r s TYR 118 Ca 0.00 0.59 0.00 0.00 -0.37 0.00 0.00 57.07 57.29 2k8r s TYR 118 Cb 0.00 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 2k8r s TYR 118 CO 0.00 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.42 2k8r n GLY 119 N -1.62 -2.48 0.36 0.71 0.00 -1.26 -4.28 105.19 96.63 2k8r n GLY 119 Ca -0.02 -1.04 0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 0.14 -0.67 1.61 4.20 -1.92 0.61 115.11 119.09 2k8r h GLN 120 Ca 0.00 -0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.89 2k8r h GLN 120 Cb 0.00 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2k8r h GLN 120 CO 0.00 0.10 0.61 1.57 -0.67 0.00 0.00 178.83 180.44 2k8r h LYS 121 N 0.15 0.00 0.00 1.46 5.09 -1.84 0.30 116.57 121.73 2k8r h LYS 121 Ca 0.80 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 61.39 2k8r h LYS 121 Cb 2.11 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 34.42 2k8r h LYS 121 CO -0.61 0.00 -0.68 0.00 -2.09 0.00 0.00 179.45 176.07 2k8r h ALA 122 N 1.40 0.69 -0.88 0.07 0.00 0.07 -3.39 119.26 117.21 2k8r h ALA 122 Ca 0.32 -0.62 -0.34 0.00 0.00 0.00 0.00 54.91 54.27 2k8r h ALA 122 Cb 1.54 -0.11 -0.31 0.00 0.00 0.00 0.00 17.79 18.91 2k8r h ALA 122 CO -0.00 0.85 -0.91 -0.89 0.00 0.00 0.00 179.25 178.29 2k8r n ILE 123 N -3.45 0.38 -2.81 0.00 -0.00 0.79 -4.69 119.36 109.58 2k8r n ILE 123 Ca 0.00 -2.86 -0.08 0.00 -0.00 0.00 0.00 62.75 59.81 2k8r n ILE 123 Cb 0.74 0.64 0.02 0.00 -0.00 0.00 0.00 39.64 41.04 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 -0.06 -2.83 -4.44 1.39 7.94 0.32 -4.90 117.00 114.43 2k8r n LEU 124 Ca 0.10 -3.30 -0.33 0.00 -1.11 0.00 0.00 56.01 51.37 2k8r n LEU 124 Cb 0.78 0.79 -0.13 0.00 0.53 0.00 0.00 43.42 45.38 2k8r n LEU 124 CO 0.15 1.98 -0.42 -0.36 -1.11 0.00 0.00 177.39 177.62 2k8r s PHE 125 N 0.62 2.84 -0.35 1.96 0.08 -1.22 -2.97 117.98 118.95 2k8r s PHE 125 Ca 0.32 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.96 2k8r s PHE 125 Cb 0.14 -1.80 0.08 0.00 -0.57 0.00 0.00 43.02 40.87 2k8r s PHE 125 CO -0.17 -0.03 0.08 -1.17 -0.10 0.00 0.00 175.22 173.84 2k8r s LEU 126 N -0.02 4.57 0.53 -0.37 2.96 0.40 -0.76 118.68 125.99 2k8r s LEU 126 Ca -0.02 -1.75 0.09 0.00 -0.22 0.00 0.00 54.13 52.23 2k8r s LEU 126 Cb -0.14 -1.73 0.06 0.00 0.50 0.00 0.00 46.19 44.88 2k8r s LEU 126 CO 0.04 -0.39 0.70 -2.16 -1.32 0.00 0.00 176.35 173.22 2k8r s PRO 127 N 1.13 2.44 0.06 0.98 0.04 -1.26 0.37 135.00 138.76 2k8r s PRO 127 Ca 0.03 -1.56 -0.19 0.00 0.04 0.00 0.00 61.00 59.32 2k8r s PRO 127 Cb -0.21 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 2k8r s PRO 127 CO -0.04 -0.68 0.55 -1.17 0.04 0.00 0.00 177.00 175.71 2k8r s LEU 128 N -4.55 4.51 0.27 -3.56 2.96 -1.12 -4.91 118.68 112.29 2k8r s LEU 128 Ca 0.58 1.22 -0.03 0.00 -0.22 0.00 0.00 54.13 55.68 2k8r s LEU 128 Cb -0.07 -2.86 0.57 0.00 0.50 0.00 0.00 46.19 44.33 2k8r s LEU 128 CO 0.36 0.27 1.61 -0.65 -1.32 0.00 0.00 176.35 176.62 2k8r h PRO 129 N 4.64 0.07 -5.09 0.98 0.11 -1.97 -3.40 132.00 127.34 2k8r h PRO 129 Ca -0.49 -0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.16 2k8r h PRO 129 Cb 1.21 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 2k8r h PRO 129 CO 0.64 0.05 1.73 1.33 -0.21 0.00 0.00 178.00 181.54 2k8r n VAL 130 N -5.41 -0.01 -3.91 3.15 0.24 -1.26 -4.81 118.33 106.33 2k8r n VAL 130 Ca 0.18 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.34 62.15 2k8r n VAL 130 Cb 0.59 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 2k8r n VAL 130 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2k8r n SER 131 N 10.56 -1.88 -4.74 -1.34 7.64 -1.25 -4.66 113.62 117.95 2k8r n SER 131 Ca 0.62 -2.73 -0.38 0.00 1.01 0.00 0.00 58.87 57.39 2k8r n SER 131 Cb 0.13 3.25 -0.06 0.00 -1.01 0.00 0.00 64.21 66.52 2k8r n SER 131 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k8r s SER 132 N -3.11 6.74 0.00 6.43 0.01 -1.23 -4.83 113.70 117.70 2k8r s SER 132 Ca 0.22 0.88 0.29 0.00 1.31 0.00 0.00 55.95 58.64 2k8r s SER 132 Cb -0.03 -2.29 1.31 0.00 0.21 0.00 0.00 66.02 65.22 2k8r s SER 132 CO 0.16 0.06 1.89 -0.67 0.41 0.00 0.00 173.24 175.09