#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 3.09 0.19 -3.48 0.00 -1.26 -3.96 119.74 114.32 2k8r s LYS 2 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 55.97 55.02 2k8r s LYS 2 Cb 0.00 -2.51 0.06 0.00 0.00 0.00 0.00 37.83 35.38 2k8r s LYS 2 CO 0.00 0.32 0.65 0.15 0.00 0.00 0.00 175.35 176.47 2k8r s LYS 3 N 0.06 1.40 -0.68 1.78 1.02 -1.26 -5.09 119.74 116.97 2k8r s LYS 3 Ca -0.06 -0.62 -0.27 0.00 0.02 0.00 0.00 55.97 55.05 2k8r s LYS 3 Cb -0.15 0.58 -0.13 0.00 -0.52 0.00 0.00 37.83 37.62 2k8r s LYS 3 CO 0.05 -0.63 2.49 -2.30 -0.92 0.00 0.00 175.35 174.04 2k8r n PRO 4 N -0.40 0.66 -3.53 -1.68 -0.02 -1.26 -4.52 135.00 124.25 2k8r n PRO 4 Ca -0.13 -0.09 -0.19 0.00 -2.02 0.00 0.00 63.50 61.07 2k8r n PRO 4 Cb 0.63 -2.83 -0.01 0.00 -0.02 0.00 0.00 33.50 31.27 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 8.50 3.09 0.11 -0.52 2.20 0.16 -4.69 119.74 128.60 2k8r s LYS 5 Ca 1.10 -1.03 -0.10 0.00 -0.36 0.00 0.00 55.97 55.57 2k8r s LYS 5 Cb -0.50 -2.79 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 2k8r s LYS 5 CO 0.32 0.08 0.26 -0.48 -0.36 0.00 0.00 175.35 175.17 2k8r s LEU 6 N -4.14 1.09 -0.36 5.43 2.34 -1.26 -3.45 118.68 118.33 2k8r s LEU 6 Ca 0.44 -0.62 0.03 0.00 0.06 0.00 0.00 54.13 54.04 2k8r s LEU 6 Cb -0.09 1.26 0.11 0.00 -0.56 0.00 0.00 46.19 46.91 2k8r s LEU 6 CO 0.30 -0.79 0.10 -0.22 -1.06 0.00 0.00 176.35 174.68 2k8r s LEU 7 N -2.87 3.97 -0.14 1.48 2.96 -1.26 -1.51 118.68 121.30 2k8r s LEU 7 Ca 0.07 -2.16 -0.22 0.00 -0.22 0.00 0.00 54.13 51.60 2k8r s LEU 7 Cb 0.04 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 2k8r s LEU 7 CO -0.09 -0.36 0.68 -0.47 -1.32 0.00 0.00 176.35 174.78 2k8r s TYR 8 N 0.90 3.46 -0.18 5.38 5.04 0.27 -4.36 117.35 127.87 2k8r s TYR 8 Ca 0.12 1.09 -0.07 0.00 -2.44 0.00 0.00 57.07 55.77 2k8r s TYR 8 Cb -0.20 -2.82 -0.04 0.00 0.35 0.00 0.00 41.96 39.25 2k8r s TYR 8 CO -0.11 -0.07 0.04 0.00 -1.34 0.00 0.00 175.55 174.07 2k8r n SER 10 N 3.52 3.06 -1.49 0.00 2.88 -1.20 -4.19 113.62 116.21 2k8r n SER 10 Ca -0.17 -2.73 0.01 0.00 -1.33 0.00 0.00 58.87 54.65 2k8r n SER 10 Cb 0.52 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 2k8r n SER 10 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2k8r n ASN 11 N 8.48 0.43 -0.06 -3.46 4.05 -1.26 -4.63 115.26 118.80 2k8r n ASN 11 Ca 0.49 -2.01 0.00 0.00 0.45 0.00 0.00 54.58 53.52 2k8r n ASN 11 Cb 0.42 -0.12 -0.00 0.00 1.23 0.00 0.00 39.78 41.30 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 0.23 -2.74 7.00 8.20 0.00 -1.26 -4.83 105.19 111.79 2k8r n GLY 12 Ca -0.04 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.84 0.52 3.35 -0.02 0.00 -1.26 -4.87 105.19 101.07 2k8r n GLY 13 Ca -0.00 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 1.71 -0.08 1.61 3.76 -1.26 -5.00 115.29 116.03 2k8r s HIS 14 Ca 0.00 -0.63 -0.03 0.00 -0.15 0.00 0.00 55.06 54.25 2k8r s HIS 14 Cb 0.00 -0.84 0.04 0.00 1.11 0.00 0.00 32.58 32.90 2k8r s HIS 14 CO 0.00 0.30 0.15 -0.06 -0.85 0.00 0.00 174.74 174.29 2k8r s PHE 15 N -3.03 -0.17 0.00 1.40 0.40 -0.86 -0.55 117.98 115.17 2k8r s PHE 15 Ca 0.23 0.56 0.00 0.00 -0.60 0.00 0.00 56.93 57.13 2k8r s PHE 15 Cb 0.01 -0.20 0.00 0.00 0.51 0.00 0.00 43.02 43.33 2k8r s PHE 15 CO 0.07 -0.23 0.00 1.47 0.70 0.00 0.00 175.22 177.23 2k8r n LEU 16 N 4.94 0.00 -4.14 -0.37 -0.00 -1.23 -4.12 117.00 112.08 2k8r n LEU 16 Ca -0.12 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.64 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 0.09 0.00 -0.49 -0.60 -0.00 0.00 0.00 177.39 176.39 2k8r s ARG 17 N 0.00 1.43 -0.06 1.47 3.52 -1.21 -3.20 118.95 120.90 2k8r s ARG 17 Ca 0.00 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 55.02 2k8r s ARG 17 Cb 0.00 -1.33 0.03 0.00 -1.56 0.00 0.00 34.95 32.08 2k8r s ARG 17 CO 0.00 0.31 -0.01 -1.50 -0.81 0.00 0.00 175.30 173.29 2k8r s ILE 18 N -0.25 0.44 -0.17 4.11 1.10 -1.26 -2.40 121.20 122.77 2k8r s ILE 18 Ca 0.03 0.04 -0.18 0.00 -0.51 0.00 0.00 60.65 60.03 2k8r s ILE 18 Cb -0.08 -0.55 -0.04 0.00 0.15 0.00 0.00 42.46 41.95 2k8r s ILE 18 CO 0.00 0.25 0.48 -0.76 -2.11 0.00 0.00 174.94 172.81 2k8r s LEU 19 N 1.64 4.20 0.57 8.50 2.01 0.38 -4.85 118.68 131.12 2k8r s LEU 19 Ca 0.00 0.71 0.33 0.00 0.01 0.00 0.00 54.13 55.18 2k8r s LEU 19 Cb -0.13 -2.67 1.44 0.00 0.01 0.00 0.00 46.19 44.84 2k8r s LEU 19 CO -0.04 -0.10 1.75 1.55 1.01 0.00 0.00 176.35 180.53 2k8r h PRO 20 N 7.16 0.00 -0.05 1.29 0.13 -1.86 0.69 132.00 139.37 2k8r h PRO 20 Ca -0.37 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2k8r h PRO 20 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k8r h PRO 20 CO 0.74 0.00 0.05 -0.44 -0.23 0.00 0.00 178.00 178.12 2k8r h ASP 21 N 0.00 0.00 0.00 1.44 5.19 -1.93 -3.38 116.42 117.74 2k8r h ASP 21 Ca 0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 2k8r h ASP 21 Cb 2.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.60 2k8r h ASP 21 CO -0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2k8r n GLY 22 N -1.36 0.69 3.34 2.75 0.00 0.24 -4.92 105.19 105.94 2k8r n GLY 22 Ca -0.02 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.62 0.03 -0.03 2.61 2.01 -0.90 -4.65 115.64 114.08 2k8r s THR 23 Ca 0.00 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.81 2k8r s THR 23 Cb 0.00 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.79 2k8r s THR 23 CO 0.00 -0.12 -0.12 0.54 -0.69 0.00 0.00 174.62 174.22 2k8r s VAL 24 N -0.84 1.01 0.29 3.82 0.11 -1.26 0.14 120.40 123.67 2k8r s VAL 24 Ca -0.09 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.48 2k8r s VAL 24 Cb -0.03 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2k8r s VAL 24 CO 0.05 0.30 0.33 -0.90 -3.33 0.00 0.00 175.10 171.54 2k8r n ASP 25 N 3.11 -0.88 -4.73 3.54 5.75 -1.01 -3.12 116.55 119.21 2k8r n ASP 25 Ca -0.17 -2.72 -0.41 0.00 -0.01 0.00 0.00 54.79 51.48 2k8r n ASP 25 Cb 0.54 1.78 -0.04 0.00 -1.03 0.00 0.00 41.12 42.37 2k8r n ASP 25 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2k8r s GLY 26 N -2.89 2.98 0.06 6.12 0.00 -1.18 -3.32 107.32 109.09 2k8r s GLY 26 Ca 0.29 0.62 -0.21 0.00 0.00 0.00 0.00 44.72 45.41 2k8r s GLY 26 CO 0.21 1.48 0.50 -1.59 0.00 0.00 0.00 173.10 173.70 2k8r s THR 27 N -0.08 0.03 -0.12 0.90 2.01 0.28 -4.84 115.64 113.82 2k8r s THR 27 Ca 0.47 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 2k8r s THR 27 Cb -0.24 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 2k8r s THR 27 CO 0.31 -0.15 0.03 0.00 -0.69 0.00 0.00 174.62 174.12 2k8r s ARG 28 N -2.64 3.35 0.19 4.92 1.70 -1.26 -2.02 118.95 123.19 2k8r s ARG 28 Ca -0.04 -0.36 -0.24 0.00 -0.47 0.00 0.00 55.73 54.62 2k8r s ARG 28 Cb -0.00 -2.97 0.05 0.00 -0.57 0.00 0.00 34.95 31.46 2k8r s ARG 28 CO -0.03 0.58 0.88 0.34 -1.08 0.00 0.00 175.30 175.99 2k8r s ASP 29 N -0.52 -0.21 -1.17 -2.89 -1.08 -1.26 -5.05 116.67 104.49 2k8r s ASP 29 Ca 0.10 -0.46 -0.11 0.00 -0.52 0.00 0.00 52.55 51.55 2k8r s ASP 29 Cb -0.12 0.56 0.22 0.00 -1.46 0.00 0.00 42.92 42.13 2k8r s ASP 29 CO 0.02 -1.04 1.33 -1.14 0.52 0.00 0.00 175.17 174.86 2k8r n ARG 30 N -0.47 3.49 -3.97 4.34 3.00 -1.26 -4.56 116.66 117.24 2k8r n ARG 30 Ca -0.05 -4.11 -0.31 0.00 -0.00 0.00 0.00 57.85 53.38 2k8r n ARG 30 Cb 0.60 -2.82 0.02 0.00 0.00 0.00 0.00 32.46 30.26 2k8r n ARG 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2k8r n SER 31 N 4.23 -4.62 -3.72 6.15 7.64 -1.26 -4.96 113.62 117.09 2k8r n SER 31 Ca 0.31 -0.81 -0.14 0.00 1.01 0.00 0.00 58.87 59.24 2k8r n SER 31 Cb 0.41 -3.71 -0.14 0.00 -1.01 0.00 0.00 64.21 59.75 2k8r n SER 31 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k8r s ASP 32 N -3.30 0.13 0.00 6.43 1.01 -1.26 -4.05 116.67 115.63 2k8r s ASP 32 Ca 0.68 0.36 0.00 0.00 0.71 0.00 0.00 52.55 54.30 2k8r s ASP 32 Cb -0.35 0.27 0.00 0.00 1.01 0.00 0.00 42.92 43.85 2k8r s ASP 32 CO 0.85 -0.18 0.00 1.67 0.21 0.00 0.00 175.17 177.71 2k8r n GLN 33 N 4.58 3.01 -0.32 8.23 7.27 -1.25 -4.69 117.38 134.21 2k8r n GLN 33 Ca -0.19 0.00 0.30 0.00 0.07 0.00 0.00 57.00 57.18 2k8r n GLN 33 Cb 0.51 0.00 0.56 0.00 2.41 0.00 0.00 30.24 33.72 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 0.80 0.00 3.69 6.17 -1.87 -3.37 115.15 120.56 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 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 29.75 2k8r h HIS 34 CO 0.00 -0.44 0.00 -0.89 0.71 0.00 0.00 177.93 177.31 2k8r n ILE 35 N -5.24 0.00 -3.33 6.26 5.41 -1.26 -5.06 119.36 116.14 2k8r n ILE 35 Ca 0.36 0.00 0.02 0.00 1.00 0.00 0.00 62.75 64.14 2k8r n ILE 35 Cb 1.22 -0.09 -0.04 0.00 -0.71 0.00 0.00 39.64 40.03 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 -1.39 0.24 -0.14 0.38 0.74 -1.26 -4.93 119.66 113.29 2k8r s GLN 36 Ca 0.00 0.58 -0.16 0.00 0.05 0.00 0.00 55.36 55.83 2k8r s GLN 36 Cb 0.00 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.41 2k8r s GLN 36 CO 0.00 -0.11 0.37 -1.17 -0.55 0.00 0.00 175.29 173.83 2k8r s LEU 37 N 2.45 4.26 -0.07 3.68 0.20 -1.22 0.14 118.68 128.11 2k8r s LEU 37 Ca -0.01 0.63 0.05 0.00 0.69 0.00 0.00 54.13 55.49 2k8r s LEU 37 Cb -0.06 -2.51 -0.01 0.00 -0.43 0.00 0.00 46.19 43.19 2k8r s LEU 37 CO -0.17 0.06 -0.24 -1.10 -0.29 0.00 0.00 176.35 174.61 2k8r s GLN 38 N 0.54 2.68 -0.28 1.98 -0.21 0.22 0.40 119.66 124.99 2k8r s GLN 38 Ca 0.20 -0.87 -0.04 0.00 0.02 0.00 0.00 55.36 54.67 2k8r s GLN 38 Cb -0.14 -2.17 0.10 0.00 1.00 0.00 0.00 33.01 31.80 2k8r s GLN 38 CO 0.06 0.29 0.15 -1.17 -2.12 0.00 0.00 175.29 172.51 2k8r s LEU 39 N 0.05 0.43 0.00 2.90 0.20 -1.25 0.13 118.68 121.13 2k8r s LEU 39 Ca -0.09 -1.18 0.00 0.00 0.69 0.00 0.00 54.13 53.55 2k8r s LEU 39 Cb -0.15 -0.23 0.00 0.00 -0.43 0.00 0.00 46.19 45.38 2k8r s LEU 39 CO 0.06 -0.43 0.00 -1.20 -0.29 0.00 0.00 176.35 174.49 2k8r n SER 40 N 5.26 0.00 -2.44 3.68 7.64 -0.92 -4.14 113.62 122.70 2k8r n SER 40 Ca -0.06 -0.55 -0.08 0.00 1.01 0.00 0.00 58.87 59.19 2k8r n SER 40 Cb 0.43 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.67 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 -3.00 -1.50 -3.82 -0.43 0.00 -1.26 -3.04 120.51 107.45 2k8r n ALA 41 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 2k8r n ALA 41 Cb 0.00 -3.08 0.03 0.00 0.00 0.00 0.00 19.45 16.40 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 -3.95 2.12 1.09 0.00 0.41 -1.26 -4.59 118.70 112.53 2k8r s GLU 42 Ca 0.21 -1.38 -0.17 0.00 -0.41 0.00 0.00 54.97 53.22 2k8r s GLU 42 Cb -0.03 0.58 0.24 0.00 -1.78 0.00 0.00 34.13 33.15 2k8r s GLU 42 CO 0.41 -1.00 1.16 -1.54 -0.49 0.00 0.00 175.26 173.80 2k8r s SER 43 N -3.15 1.90 -0.88 -0.19 1.04 -1.26 -4.73 113.70 106.43 2k8r s SER 43 Ca 0.17 0.64 -0.13 0.00 0.48 0.00 0.00 55.95 57.11 2k8r s SER 43 Cb -0.05 -0.92 -0.09 0.00 0.10 0.00 0.00 66.02 65.06 2k8r s SER 43 CO 0.11 -3.52 2.04 0.55 0.98 0.00 0.00 173.24 173.40 2k8r n VAL 44 N -4.36 2.22 0.00 5.02 3.14 -1.26 -3.03 118.33 120.07 2k8r n VAL 44 Ca 0.12 -1.57 0.00 0.00 -2.96 0.00 0.00 64.34 59.93 2k8r n VAL 44 Cb 0.59 -2.23 0.00 0.00 -1.06 0.00 0.00 33.84 31.14 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 4.09 0.12 3.77 7.55 0.00 -1.26 -5.06 105.19 114.41 2k8r n GLY 45 Ca 0.47 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 46.31 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 3.04 -0.13 1.61 2.02 -1.17 -2.47 118.70 121.61 2k8r s GLU 46 Ca 0.00 1.47 -0.10 0.00 0.02 0.00 0.00 54.97 56.36 2k8r s GLU 46 Cb 0.00 -1.98 0.04 0.00 0.10 0.00 0.00 34.13 32.29 2k8r s GLU 46 CO 0.00 -1.07 0.33 0.14 0.02 0.00 0.00 175.26 174.68 2k8r s VAL 47 N -2.12 -0.01 -0.32 2.63 -7.23 0.27 -3.99 120.40 109.64 2k8r s VAL 47 Ca 0.69 0.03 -0.11 0.00 -1.81 0.00 0.00 61.98 60.79 2k8r s VAL 47 Cb -0.22 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.23 2k8r s VAL 47 CO 0.36 0.01 0.18 -0.47 -0.31 0.00 0.00 175.10 174.87 2k8r s TYR 48 N 0.50 3.20 -0.32 2.82 6.14 -1.17 -0.75 117.35 127.77 2k8r s TYR 48 Ca -0.03 -0.37 -0.14 0.00 0.64 0.00 0.00 57.07 57.18 2k8r s TYR 48 Cb -0.04 -2.40 -0.02 0.00 0.42 0.00 0.00 41.96 39.92 2k8r s TYR 48 CO -0.03 -0.39 0.33 0.42 0.64 0.00 0.00 175.55 176.52 2k8r s ILE 49 N 1.67 5.20 -0.22 3.14 1.01 -1.23 -2.17 121.20 128.60 2k8r s ILE 49 Ca 0.05 0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.89 2k8r s ILE 49 Cb -0.17 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.60 2k8r s ILE 49 CO 0.08 0.03 -0.14 -0.75 0.00 0.00 0.00 174.94 174.16 2k8r s LYS 50 N 1.97 2.46 -0.38 2.79 2.20 0.34 -4.15 119.74 124.97 2k8r s LYS 50 Ca 0.11 -1.04 -0.22 0.00 -0.36 0.00 0.00 55.97 54.46 2k8r s LYS 50 Cb -0.16 -2.66 0.01 0.00 -1.51 0.00 0.00 37.83 33.50 2k8r s LYS 50 CO 0.11 -0.41 0.70 -1.12 -0.36 0.00 0.00 175.35 174.28 2k8r s SER 51 N 1.24 6.44 0.00 1.43 0.01 -1.26 0.72 113.70 122.28 2k8r s SER 51 Ca -0.02 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.34 2k8r s SER 51 Cb -0.17 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2k8r s SER 51 CO -0.09 -0.71 0.00 0.41 0.41 0.00 0.00 173.24 173.27 2k8r n THR 52 N 5.76 -0.32 -0.01 1.44 -1.04 0.38 -4.11 114.28 116.39 2k8r n THR 52 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2k8r n THR 52 Cb 0.48 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.94 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 0.15 -3.42 -2.82 4.57 -1.89 -3.45 114.58 107.72 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 -0.03 -0.18 0.00 -0.16 0.00 0.00 28.75 28.38 2k8r h GLU 53 CO 0.00 0.20 -0.35 0.95 -1.18 0.00 0.00 179.01 178.63 2k8r s THR 54 N -5.78 0.09 0.00 0.32 -4.23 -1.26 -4.90 115.64 99.88 2k8r s THR 54 Ca -0.13 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 2k8r s THR 54 Cb 0.06 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 73.08 2k8r s THR 54 CO 0.68 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 2k8r n GLY 55 N 0.82 0.77 3.44 3.99 0.00 -1.26 -5.05 105.19 107.91 2k8r n GLY 55 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.57 1.58 -0.28 1.61 -1.52 -1.26 -4.86 119.66 114.35 2k8r s GLN 56 Ca 0.00 -1.54 -0.20 0.00 -1.95 0.00 0.00 55.36 51.67 2k8r s GLN 56 Cb 0.00 0.40 0.12 0.00 -0.22 0.00 0.00 33.01 33.32 2k8r s GLN 56 CO 0.00 -0.62 0.96 -0.47 -0.25 0.00 0.00 175.29 174.90 2k8r s TYR 57 N -3.74 -0.60 -0.22 0.91 6.14 -1.26 -4.75 117.35 113.83 2k8r s TYR 57 Ca 0.30 1.30 -0.10 0.00 0.64 0.00 0.00 57.07 59.21 2k8r s TYR 57 Cb 0.02 0.38 -0.05 0.00 0.42 0.00 0.00 41.96 42.73 2k8r s TYR 57 CO 0.14 -0.29 0.14 -1.17 0.64 0.00 0.00 175.55 175.01 2k8r s LEU 58 N 0.84 4.08 0.04 6.97 1.98 -1.26 0.86 118.68 132.18 2k8r s LEU 58 Ca -0.03 0.13 -0.01 0.00 -2.89 0.00 0.00 54.13 51.32 2k8r s LEU 58 Cb -0.04 -2.08 -0.03 0.00 0.66 0.00 0.00 46.19 44.70 2k8r s LEU 58 CO -0.11 0.11 -0.01 0.00 -1.89 0.00 0.00 176.35 174.44 2k8r s ALA 59 N 0.81 0.26 -0.13 5.97 0.00 0.12 -4.36 121.76 124.44 2k8r s ALA 59 Ca 0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 2k8r s ALA 59 Cb -0.13 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 2k8r s ALA 59 CO 0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 175.76 175.45 2k8r s MET 60 N -2.65 3.36 0.28 0.00 0.23 -1.25 0.35 119.30 119.62 2k8r s MET 60 Ca -0.05 -0.55 -0.29 0.00 -1.03 0.00 0.00 55.69 53.77 2k8r s MET 60 Cb -0.01 -2.78 -0.09 0.00 -1.53 0.00 0.00 34.83 30.42 2k8r s MET 60 CO -0.05 0.37 1.07 0.34 -2.03 0.00 0.00 175.02 174.72 2k8r s ASP 61 N 0.01 7.32 0.28 -1.18 -1.08 0.54 -4.91 116.67 117.64 2k8r s ASP 61 Ca -0.00 2.22 0.01 0.00 -0.52 0.00 0.00 52.55 54.26 2k8r s ASP 61 Cb -0.14 -2.62 0.67 0.00 -1.46 0.00 0.00 42.92 39.37 2k8r s ASP 61 CO 0.03 -0.10 1.68 0.00 0.52 0.00 0.00 175.17 177.30 2k8r h THR 62 N 3.09 0.45 0.54 1.71 1.03 -1.99 -1.71 112.91 116.03 2k8r h THR 62 Ca -0.46 -0.11 -0.02 0.00 -0.01 0.00 0.00 66.41 65.80 2k8r h THR 62 Cb 1.21 0.09 -0.01 0.00 -1.07 0.00 0.00 68.15 68.37 2k8r h THR 62 CO 0.67 0.06 -0.33 -0.78 -0.01 0.00 0.00 175.52 175.13 2k8r h ASP 63 N 0.33 -0.84 0.00 0.00 3.58 -2.01 -3.46 116.42 114.02 2k8r h ASP 63 Ca 0.53 0.05 0.00 0.00 0.42 0.00 0.00 57.03 58.03 2k8r h ASP 63 Cb 0.99 0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2k8r h ASP 63 CO -0.55 -0.52 0.00 0.61 -2.88 0.00 0.00 179.24 175.90 2k8r n GLY 64 N -1.47 -0.58 2.75 -0.78 0.00 -0.64 -3.88 105.19 100.59 2k8r n GLY 64 Ca -0.12 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 0.85 -0.11 0.99 1.98 -1.22 -1.63 118.68 119.55 2k8r s LEU 65 Ca 0.00 0.05 -0.19 0.00 -2.89 0.00 0.00 54.13 51.10 2k8r s LEU 65 Cb 0.00 -0.09 -0.04 0.00 0.66 0.00 0.00 46.19 46.72 2k8r s LEU 65 CO 0.00 -0.16 0.52 -0.76 -1.89 0.00 0.00 176.35 174.06 2k8r s LEU 66 N 1.33 4.28 0.05 -0.68 1.02 -1.26 0.20 118.68 123.63 2k8r s LEU 66 Ca -0.06 0.88 -0.00 0.00 0.02 0.00 0.00 54.13 54.97 2k8r s LEU 66 Cb -0.13 -2.76 -0.04 0.00 0.02 0.00 0.00 46.19 43.29 2k8r s LEU 66 CO -0.03 -0.02 -0.04 -0.72 0.02 0.00 0.00 176.35 175.56 2k8r s TYR 67 N 0.65 0.55 -0.34 0.29 1.13 0.16 -4.61 117.35 115.17 2k8r s TYR 67 Ca 0.28 -0.91 -0.03 0.00 -1.41 0.00 0.00 57.07 55.00 2k8r s TYR 67 Cb -0.16 -0.38 0.07 0.00 -1.10 0.00 0.00 41.96 40.39 2k8r s TYR 67 CO 0.12 -0.29 0.08 0.20 -2.51 0.00 0.00 175.55 173.15 2k8r s GLY 68 N -2.61 1.85 -0.19 5.49 0.00 -1.26 0.16 107.32 110.76 2k8r s GLY 68 Ca 0.03 -2.03 -0.21 0.00 0.00 0.00 0.00 44.72 42.51 2k8r s GLY 68 CO -0.07 0.82 0.58 -0.56 0.00 0.00 0.00 173.10 173.87 2k8r s SER 69 N 1.46 -0.59 -0.64 1.64 0.01 0.25 -3.55 113.70 112.27 2k8r s SER 69 Ca -0.00 1.06 -0.26 0.00 1.31 0.00 0.00 55.95 58.06 2k8r s SER 69 Cb -0.21 1.06 -0.10 0.00 0.21 0.00 0.00 66.02 66.99 2k8r s SER 69 CO -0.02 -0.27 2.37 -1.58 0.41 0.00 0.00 173.24 174.15 2k8r s GLN 70 N 0.02 1.91 -0.37 12.44 -0.44 -1.26 -4.20 119.66 127.75 2k8r s GLN 70 Ca -0.02 0.92 0.06 0.00 -2.50 0.00 0.00 55.36 53.82 2k8r s GLN 70 Cb -0.04 -4.68 0.18 0.00 -1.64 0.00 0.00 33.01 26.83 2k8r s GLN 70 CO 0.02 -3.78 0.56 0.99 0.50 0.00 0.00 175.29 173.58 2k8r s THR 71 N 13.17 -0.85 0.00 -0.34 2.01 -1.26 -5.04 115.64 123.34 2k8r s THR 71 Ca 0.93 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.43 2k8r s THR 71 Cb -0.15 -0.38 -0.08 0.00 0.01 0.00 0.00 72.50 71.89 2k8r s THR 71 CO 0.17 -0.13 2.02 -0.81 -0.69 0.00 0.00 174.62 175.18 2k8r n PRO 72 N 4.65 2.75 -3.47 4.92 -0.04 -1.26 -4.94 135.00 137.60 2k8r n PRO 72 Ca 0.09 0.98 -0.13 0.00 -0.04 0.00 0.00 63.50 64.40 2k8r n PRO 72 Cb 0.54 -3.05 -0.03 0.00 -0.04 0.00 0.00 33.50 30.91 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 5.06 -0.56 0.49 3.54 2.47 -1.26 -5.03 114.94 119.66 2k8r s ASN 73 Ca 0.91 0.25 0.21 0.00 0.42 0.00 0.00 52.86 54.66 2k8r s ASN 73 Cb -0.42 0.53 1.26 0.00 -1.45 0.00 0.00 41.25 41.18 2k8r s ASN 73 CO 0.41 -0.76 1.98 -0.33 -3.72 0.00 0.00 177.10 174.67 2k8r h GLU 74 N 2.35 0.15 0.00 0.43 5.08 -1.99 -1.24 114.58 119.37 2k8r h GLU 74 Ca -0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2k8r h GLU 74 Cb 1.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k8r h GLU 74 CO 0.37 0.10 0.52 0.93 -1.00 0.00 0.00 179.01 179.93 2k8r h GLU 75 N 0.16 0.00 0.00 2.33 3.07 -1.95 0.41 114.58 118.60 2k8r h GLU 75 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 2k8r h GLU 75 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 2k8r h GLU 75 CO -0.04 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.57 2k8r s LEU 77 N -3.00 4.34 0.47 0.00 2.01 0.14 -3.49 118.68 119.16 2k8r s LEU 77 Ca 0.12 -0.01 0.03 0.00 0.01 0.00 0.00 54.13 54.28 2k8r s LEU 77 Cb 0.16 -2.69 -0.03 0.00 0.01 0.00 0.00 46.19 43.64 2k8r s LEU 77 CO 0.45 -0.57 0.02 -0.36 1.01 0.00 0.00 176.35 176.90 2k8r s PHE 78 N 2.58 2.00 -0.19 0.29 0.08 0.07 -2.99 117.98 119.82 2k8r s PHE 78 Ca 0.22 -0.94 -0.01 0.00 0.12 0.00 0.00 56.93 56.32 2k8r s PHE 78 Cb -0.15 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.73 2k8r s PHE 78 CO 0.15 0.20 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.15 2k8r s LEU 79 N -3.79 2.44 -0.44 -0.37 1.98 -0.14 0.97 118.68 119.33 2k8r s LEU 79 Ca 0.15 -0.53 -0.15 0.00 -2.89 0.00 0.00 54.13 50.71 2k8r s LEU 79 Cb 0.04 -1.58 0.05 0.00 0.66 0.00 0.00 46.19 45.36 2k8r s LEU 79 CO 0.08 0.01 0.35 -0.70 -1.89 0.00 0.00 176.35 174.20 2k8r s GLU 80 N 1.25 2.96 -0.45 1.98 2.12 -1.03 -2.42 118.70 123.11 2k8r s GLU 80 Ca 0.03 -1.22 -0.12 0.00 0.36 0.00 0.00 54.97 54.02 2k8r s GLU 80 Cb -0.14 -4.06 0.08 0.00 0.26 0.00 0.00 34.13 30.27 2k8r s GLU 80 CO -0.07 -0.91 0.33 0.50 -0.54 0.00 0.00 175.26 174.57 2k8r s ARG 81 N 1.65 2.79 -0.12 4.30 3.52 0.12 -4.87 118.95 126.33 2k8r s ARG 81 Ca 0.04 -1.43 -0.12 0.00 -0.13 0.00 0.00 55.73 54.09 2k8r s ARG 81 Cb -0.22 -3.97 -0.05 0.00 -1.56 0.00 0.00 34.95 29.16 2k8r s ARG 81 CO 0.08 -1.01 0.26 -1.17 -0.81 0.00 0.00 175.30 172.64 2k8r s LEU 82 N 1.53 4.32 -0.08 -0.88 2.96 -1.26 0.21 118.68 125.47 2k8r s LEU 82 Ca 0.04 0.55 0.13 0.00 -0.22 0.00 0.00 54.13 54.63 2k8r s LEU 82 Cb -0.24 -2.30 0.41 0.00 0.50 0.00 0.00 46.19 44.56 2k8r s LEU 82 CO 0.04 0.23 1.33 1.21 -1.32 0.00 0.00 176.35 177.85 2k8r n GLU 83 N 2.82 2.91 0.00 1.98 2.13 -0.25 -4.98 120.64 125.25 2k8r n GLU 83 Ca -0.15 -2.42 0.00 0.00 0.66 0.00 0.00 57.16 55.25 2k8r n GLU 83 Cb 0.53 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.70 2k8r n GLU 83 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2k8r n GLU 84 N 0.03 0.00 -0.71 5.31 0.28 -1.25 -4.76 120.64 119.55 2k8r n GLU 84 Ca 0.16 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.77 2k8r n GLU 84 Cb 0.65 -0.03 -0.08 0.00 1.43 0.00 0.00 31.44 33.41 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 0.98 1.69 -4.17 -1.84 5.15 -1.26 -4.31 115.26 111.50 2k8r n ASN 85 Ca 0.00 -2.51 -0.38 0.00 -0.60 0.00 0.00 54.58 51.09 2k8r n ASN 85 Cb 0.00 -0.76 -0.07 0.00 -0.53 0.00 0.00 39.78 38.42 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 7.83 -1.02 -3.56 1.20 1.44 -1.26 -4.86 115.22 114.99 2k8r n HIS 86 Ca 0.44 0.60 -0.17 0.00 -2.01 0.00 0.00 57.72 56.59 2k8r n HIS 86 Cb 0.36 -1.63 -0.06 0.00 0.12 0.00 0.00 29.99 28.78 2k8r n HIS 86 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 2k8r s TYR 87 N -2.97 -0.56 0.17 -1.40 5.04 -1.26 -4.63 117.35 111.74 2k8r s TYR 87 Ca 0.74 0.91 -0.13 0.00 -2.44 0.00 0.00 57.07 56.15 2k8r s TYR 87 Cb -0.43 0.36 0.01 0.00 0.35 0.00 0.00 41.96 42.25 2k8r s TYR 87 CO 0.90 -0.59 0.38 0.54 -1.34 0.00 0.00 175.55 175.45 2k8r s ASN 88 N -1.33 -0.08 -0.07 4.32 2.20 -0.66 -1.10 114.94 118.22 2k8r s ASN 88 Ca -0.10 -0.69 0.03 0.00 -0.94 0.00 0.00 52.86 51.15 2k8r s ASN 88 Cb -0.01 0.49 0.01 0.00 -2.00 0.00 0.00 41.25 39.74 2k8r s ASN 88 CO 0.07 -0.95 -0.15 0.42 -2.94 0.00 0.00 177.10 173.55 2k8r s THR 89 N -3.92 1.31 -0.13 0.54 -4.23 0.57 -3.40 115.64 106.37 2k8r s THR 89 Ca 0.13 -0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 60.04 2k8r s THR 89 Cb 0.02 -1.17 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 2k8r s THR 89 CO -0.02 0.39 -0.09 -0.31 -0.54 0.00 0.00 174.62 174.05 2k8r s TYR 90 N 0.50 2.90 0.03 3.99 2.02 -1.26 0.11 117.35 125.63 2k8r s TYR 90 Ca -0.13 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.13 2k8r s TYR 90 Cb -0.15 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.52 2k8r s TYR 90 CO 0.04 -0.07 -0.00 0.96 -1.57 0.00 0.00 175.55 174.91 2k8r s ILE 91 N 0.19 0.14 -0.35 2.71 -4.36 -1.02 -3.39 121.20 115.11 2k8r s ILE 91 Ca -0.05 -1.12 -0.28 0.00 -0.26 0.00 0.00 60.65 58.94 2k8r s ILE 91 Cb -0.15 -0.63 -0.02 0.00 1.25 0.00 0.00 42.46 42.92 2k8r s ILE 91 CO 0.04 -0.61 1.79 -0.44 0.24 0.00 0.00 174.94 175.95 2k8r s SER 92 N -1.86 5.87 0.07 4.36 0.01 -1.26 -0.97 113.70 119.91 2k8r s SER 92 Ca -0.09 1.22 -0.34 0.00 1.31 0.00 0.00 55.95 58.05 2k8r s SER 92 Cb -0.05 -2.53 -0.17 0.00 0.21 0.00 0.00 66.02 63.48 2k8r s SER 92 CO -0.03 -1.74 1.51 0.50 0.41 0.00 0.00 173.24 173.88 2k8r h LYS 93 N 12.94 -1.05 -0.47 12.44 3.11 -1.81 -2.86 116.57 138.86 2k8r h LYS 93 Ca -0.33 0.07 0.09 0.00 -2.81 0.00 0.00 60.65 57.68 2k8r h LYS 93 Cb 1.17 0.24 -0.03 0.00 -1.00 0.00 0.00 32.23 32.61 2k8r h LYS 93 CO 1.05 -0.70 0.33 -0.22 -2.81 0.00 0.00 179.45 177.10 2k8r h LYS 94 N -1.08 0.22 -2.11 1.90 3.64 -1.89 -2.77 116.57 114.47 2k8r h LYS 94 Ca -0.09 -0.01 -0.76 0.00 -1.27 0.00 0.00 60.65 58.52 2k8r h LYS 94 Cb 0.88 -0.05 -0.25 0.00 -0.41 0.00 0.00 32.23 32.39 2k8r h LYS 94 CO 0.08 0.15 1.07 0.72 -2.27 0.00 0.00 179.45 179.20 2k8r n HIS 95 N -4.46 2.77 -0.33 1.91 8.25 -1.08 -4.74 115.22 117.54 2k8r n HIS 95 Ca 0.07 -2.39 0.21 0.00 -0.26 0.00 0.00 57.72 55.35 2k8r n HIS 95 Cb 0.38 -1.24 0.46 0.00 1.12 0.00 0.00 29.99 30.71 2k8r n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k8r h ALA 96 N 3.48 2.07 -0.34 -1.41 0.00 -1.52 0.50 119.26 122.04 2k8r h ALA 96 Ca 0.55 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 2k8r h ALA 96 Cb 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k8r h ALA 96 CO 1.31 -0.49 0.17 0.93 0.00 0.00 0.00 179.25 181.17 2k8r h GLU 97 N 0.47 0.47 -1.58 0.00 4.39 -1.90 -2.94 114.58 113.50 2k8r h GLU 97 Ca 0.60 -0.04 -0.62 0.00 0.34 0.00 0.00 59.36 59.64 2k8r h GLU 97 Cb 1.38 -0.10 -0.40 0.00 -0.10 0.00 0.00 28.75 29.53 2k8r h GLU 97 CO -0.35 0.36 -0.43 1.63 -1.16 0.00 0.00 179.01 179.06 2k8r n LYS 98 N -4.43 3.32 -0.86 2.33 5.02 0.17 -4.94 118.16 118.77 2k8r n LYS 98 Ca 0.02 -4.34 -0.30 0.00 -2.02 0.00 0.00 58.31 51.68 2k8r n LYS 98 Cb 0.11 -2.25 -0.03 0.00 -0.02 0.00 0.00 35.03 32.83 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 -0.50 3.64 -4.73 4.39 6.94 -0.94 -4.72 115.26 119.34 2k8r n ASN 99 Ca 0.42 -2.45 -0.40 0.00 -0.02 0.00 0.00 54.58 52.13 2k8r n ASN 99 Cb 0.60 -1.06 -0.05 0.00 -2.36 0.00 0.00 39.78 36.91 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 4.19 3.69 0.25 -2.53 0.52 -1.26 -4.90 118.94 118.90 2k8r s TRP 100 Ca 0.45 1.44 -0.30 0.00 0.02 0.00 0.00 56.10 57.71 2k8r s TRP 100 Cb 0.11 -2.85 -0.10 0.00 -1.15 0.00 0.00 33.47 29.48 2k8r s TRP 100 CO 0.03 0.19 1.46 -0.06 0.02 0.00 0.00 176.95 178.60 2k8r s PHE 101 N 0.28 2.98 0.00 -1.98 0.08 -1.26 -4.53 117.98 113.56 2k8r s PHE 101 Ca 0.40 0.99 0.00 0.00 0.12 0.00 0.00 56.93 58.44 2k8r s PHE 101 Cb -0.20 -3.86 0.00 0.00 -0.57 0.00 0.00 43.02 38.40 2k8r s PHE 101 CO 0.22 -2.80 0.00 1.33 -0.10 0.00 0.00 175.22 173.87 2k8r n VAL 102 N 2.32 0.00 0.00 -0.44 0.24 -1.22 -4.56 118.33 114.67 2k8r n VAL 102 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 2k8r n VAL 102 Cb 0.40 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 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 4.15 3.36 7.63 0.00 -1.26 -4.54 105.19 117.99 2k8r n GLY 103 Ca 0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 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 2.47 -0.11 0.99 2.34 -1.26 0.14 118.68 123.25 2k8r s LEU 104 Ca 0.00 -0.91 -0.06 0.00 0.06 0.00 0.00 54.13 53.23 2k8r s LEU 104 Cb 0.00 -0.87 -0.04 0.00 -0.56 0.00 0.00 46.19 44.72 2k8r s LEU 104 CO 0.00 -0.03 0.10 -0.75 -1.06 0.00 0.00 176.35 174.61 2k8r s LYS 105 N -2.99 3.33 0.36 1.48 2.47 0.31 -4.94 119.74 119.76 2k8r s LYS 105 Ca 0.19 -0.21 0.20 0.00 -1.56 0.00 0.00 55.97 54.59 2k8r s LYS 105 Cb -0.05 -3.09 1.30 0.00 -1.46 0.00 0.00 37.83 34.53 2k8r s LYS 105 CO 0.08 0.75 1.53 0.36 0.16 0.00 0.00 175.35 178.23 2k8r n LYS 106 N 2.06 -0.06 0.07 4.03 2.85 -1.26 0.11 118.16 125.96 2k8r n LYS 106 Ca -0.20 1.34 0.20 0.00 -1.05 0.00 0.00 58.31 58.60 2k8r n LYS 106 Cb 0.55 -2.40 0.73 0.00 -0.65 0.00 0.00 35.03 33.26 2k8r n LYS 106 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2k8r h ASN 107 N 0.00 0.00 0.00 -5.58 -0.73 -1.94 -3.13 115.58 104.20 2k8r h ASN 107 Ca 0.82 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.99 2k8r h ASN 107 Cb 2.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.76 2k8r h ASN 107 CO -0.75 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 176.92 2k8r n GLY 108 N -1.55 0.71 3.64 1.57 0.00 0.30 -4.92 105.19 104.95 2k8r n GLY 108 Ca 0.07 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.33 2k8r n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k8r s SER 109 N -1.03 -0.33 0.33 1.61 0.01 -1.15 -4.79 113.70 108.35 2k8r s SER 109 Ca 0.00 0.57 -0.09 0.00 1.31 0.00 0.00 55.95 57.74 2k8r s SER 109 Cb 0.00 0.87 -0.06 0.00 0.21 0.00 0.00 66.02 67.04 2k8r s SER 109 CO 0.00 -0.09 0.66 0.00 0.41 0.00 0.00 173.24 174.22 2k8r s LYS 111 N -3.47 1.47 -0.04 0.00 -0.14 0.38 -4.87 119.74 113.07 2k8r s LYS 111 Ca 0.49 -2.51 0.00 0.00 -1.36 0.00 0.00 55.97 52.58 2k8r s LYS 111 Cb -0.11 -2.19 -0.02 0.00 -1.68 0.00 0.00 37.83 33.83 2k8r s LYS 111 CO 0.27 -1.33 -0.04 -2.13 -0.76 0.00 0.00 175.35 171.37 2k8r n ARG 112 N 2.63 0.10 -0.07 1.68 0.00 -0.95 -4.40 116.66 115.64 2k8r n ARG 112 Ca 0.24 0.02 -0.12 0.00 -0.00 0.00 0.00 57.85 57.99 2k8r n ARG 112 Cb 0.42 -1.05 -0.11 0.00 0.00 0.00 0.00 32.46 31.72 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 0.26 -0.00 -0.07 5.14 0.00 -1.42 -3.39 103.07 103.60 2k8r h GLY 113 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.31 2k8r h GLY 113 CO -0.02 -0.00 -0.34 -2.55 0.00 0.00 0.00 176.54 173.63 2k8r h PRO 114 N -0.99 -0.31 0.00 4.80 0.11 -1.88 -3.46 132.00 130.27 2k8r h PRO 114 Ca -0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2k8r h PRO 114 Cb 0.86 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2k8r h PRO 114 CO 0.00 -0.21 0.00 -2.13 -0.21 0.00 0.00 178.00 175.45 2k8r n ARG 115 N -5.42 0.00 -3.62 1.05 0.63 -1.26 -5.16 116.66 102.89 2k8r n ARG 115 Ca -0.01 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.82 2k8r n ARG 115 Cb 0.34 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.14 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 -1.04 -0.57 0.00 5.15 -1.32 -1.26 -4.55 115.64 112.04 2k8r s THR 116 Ca 0.00 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 2k8r s THR 116 Cb 0.00 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 2k8r s THR 116 CO 0.00 0.05 0.00 1.41 -2.21 0.00 0.00 174.62 173.87 2k8r n HIS 117 N 5.38 0.00 -2.01 9.09 -0.00 -1.26 -4.77 115.22 121.64 2k8r n HIS 117 Ca -0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.34 2k8r n HIS 117 Cb 0.50 0.00 0.01 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 3.61 0.02 4.41 2.02 -1.26 -4.73 117.35 121.42 2k8r s TYR 118 Ca 0.00 1.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.93 2k8r s TYR 118 Cb 0.00 -2.66 0.00 0.00 -0.40 0.00 0.00 41.96 38.90 2k8r s TYR 118 CO 0.00 -0.61 0.00 0.41 -1.57 0.00 0.00 175.55 173.78 2k8r n GLY 119 N -2.60 -3.74 0.52 0.71 0.00 -1.26 -4.31 105.19 94.51 2k8r n GLY 119 Ca 0.05 -0.68 0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 0.49 0.03 -0.97 1.61 4.20 -1.90 0.53 115.11 119.10 2k8r h GLN 120 Ca 0.00 -0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.98 2k8r h GLN 120 Cb 0.00 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 2k8r h GLN 120 CO 0.00 0.02 0.68 1.57 -0.67 0.00 0.00 178.83 180.43 2k8r h LYS 121 N 0.03 0.10 -0.11 1.46 5.09 -1.84 0.30 116.57 121.61 2k8r h LYS 121 Ca 0.87 -0.01 -0.12 0.00 0.09 0.00 0.00 60.65 61.49 2k8r h LYS 121 Cb 2.93 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 35.22 2k8r h LYS 121 CO -0.35 0.07 -0.45 0.00 -2.09 0.00 0.00 179.45 176.63 2k8r h ALA 122 N 1.54 1.04 -1.69 0.07 0.00 -0.12 -3.37 119.26 116.73 2k8r h ALA 122 Ca 0.48 -0.44 -0.50 0.00 0.00 0.00 0.00 54.91 54.45 2k8r h ALA 122 Cb 1.71 -0.09 -0.35 0.00 0.00 0.00 0.00 17.79 19.06 2k8r h ALA 122 CO -0.07 0.62 -1.02 -0.89 0.00 0.00 0.00 179.25 177.89 2k8r n ILE 123 N -4.00 -0.55 -2.68 0.00 -0.00 0.94 -4.60 119.36 108.48 2k8r n ILE 123 Ca -0.02 -3.67 -0.05 0.00 -0.00 0.00 0.00 62.75 59.01 2k8r n ILE 123 Cb 0.51 -1.29 0.07 0.00 -0.00 0.00 0.00 39.64 38.93 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 1.33 -1.54 -4.50 1.39 7.94 -0.44 -4.90 117.00 116.28 2k8r n LEU 124 Ca 0.19 -1.99 -0.34 0.00 -1.11 0.00 0.00 56.01 52.77 2k8r n LEU 124 Cb 0.56 0.59 -0.12 0.00 0.53 0.00 0.00 43.42 44.98 2k8r n LEU 124 CO 0.16 1.63 -0.36 -0.36 -1.11 0.00 0.00 177.39 177.35 2k8r s PHE 125 N 0.22 3.01 -0.50 1.96 0.08 -1.22 -3.23 117.98 118.29 2k8r s PHE 125 Ca 0.27 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.04 2k8r s PHE 125 Cb 0.21 -1.92 0.13 0.00 -0.57 0.00 0.00 43.02 40.87 2k8r s PHE 125 CO -0.11 0.00 0.29 -1.17 -0.10 0.00 0.00 175.22 174.13 2k8r s LEU 126 N 0.21 5.02 0.37 -0.37 2.96 0.37 -1.65 118.68 125.59 2k8r s LEU 126 Ca -0.03 -2.55 0.05 0.00 -0.22 0.00 0.00 54.13 51.39 2k8r s LEU 126 Cb -0.14 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 2k8r s LEU 126 CO 0.03 -0.40 0.52 -2.16 -1.32 0.00 0.00 176.35 173.02 2k8r s PRO 127 N 0.38 3.09 0.32 0.98 0.04 -1.26 0.97 135.00 139.52 2k8r s PRO 127 Ca 0.14 -0.90 -0.29 0.00 0.04 0.00 0.00 61.00 59.99 2k8r s PRO 127 Cb -0.22 -2.76 -0.10 0.00 0.04 0.00 0.00 34.50 31.46 2k8r s PRO 127 CO -0.04 -0.03 1.33 -1.17 0.04 0.00 0.00 177.00 177.13 2k8r s LEU 128 N -4.27 4.42 0.37 -3.56 2.96 -0.57 -4.89 118.68 113.13 2k8r s LEU 128 Ca 0.46 2.68 0.17 0.00 -0.22 0.00 0.00 54.13 57.23 2k8r s LEU 128 Cb -0.10 -3.64 1.13 0.00 0.50 0.00 0.00 46.19 44.07 2k8r s LEU 128 CO 0.33 -0.56 1.69 -0.65 -1.32 0.00 0.00 176.35 175.83 2k8r h PRO 129 N 3.66 0.32 -6.04 0.98 0.11 -1.97 -3.42 132.00 125.64 2k8r h PRO 129 Ca -0.48 -0.02 -0.83 0.00 0.11 0.00 0.00 66.00 64.78 2k8r h PRO 129 Cb 1.22 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.28 2k8r h PRO 129 CO 0.67 0.21 0.60 1.33 -0.21 0.00 0.00 178.00 180.60 2k8r n VAL 130 N -4.88 0.05 -3.90 3.15 0.24 -1.26 -4.87 118.33 106.86 2k8r n VAL 130 Ca 0.31 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 2k8r n VAL 130 Cb 1.01 -0.55 0.01 0.00 -1.47 0.00 0.00 33.84 32.85 2k8r n VAL 130 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2k8r n SER 131 N 3.69 -1.16 -4.93 -1.34 3.41 -1.25 -4.84 113.62 107.19 2k8r n SER 131 Ca 0.28 -1.45 -0.23 0.00 -0.26 0.00 0.00 58.87 57.21 2k8r n SER 131 Cb 0.01 1.85 -0.03 0.00 -0.26 0.00 0.00 64.21 65.79 2k8r n SER 131 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k8r s SER 132 N -3.13 6.18 0.00 4.04 0.01 -1.26 -4.69 113.70 114.85 2k8r s SER 132 Ca 0.22 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2k8r s SER 132 Cb -0.01 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.42 2k8r s SER 132 CO 0.02 -0.02 0.00 -0.67 0.41 0.00 0.00 173.24 172.98