#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 3.78 0.11 -3.48 0.00 -1.26 -4.29 119.74 114.59 2k8r s LYS 2 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 55.97 55.91 2k8r s LYS 2 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 37.83 34.08 2k8r s LYS 2 CO 0.00 -0.59 0.27 0.15 0.00 0.00 0.00 175.35 175.19 2k8r s LYS 3 N 2.47 0.95 -0.77 1.78 1.02 -1.26 -5.08 119.74 118.85 2k8r s LYS 3 Ca 0.21 -0.88 -0.25 0.00 0.02 0.00 0.00 55.97 55.08 2k8r s LYS 3 Cb -0.15 0.39 -0.15 0.00 -0.52 0.00 0.00 37.83 37.40 2k8r s LYS 3 CO 0.12 -0.33 2.40 -2.30 -0.92 0.00 0.00 175.35 174.32 2k8r n PRO 4 N -0.13 0.57 -3.23 -1.68 -0.02 -1.26 -4.42 135.00 124.83 2k8r n PRO 4 Ca -0.15 -0.65 -0.23 0.00 -2.02 0.00 0.00 63.50 60.45 2k8r n PRO 4 Cb 0.63 -3.39 -0.00 0.00 -0.02 0.00 0.00 33.50 30.72 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 8.68 3.28 0.14 -0.52 2.20 0.24 -4.76 119.74 128.98 2k8r s LYS 5 Ca 0.98 -0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 56.10 2k8r s LYS 5 Cb -0.22 -2.63 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 2k8r s LYS 5 CO 0.16 -0.03 0.10 -0.48 -0.36 0.00 0.00 175.35 174.73 2k8r s LEU 6 N -4.40 1.63 -0.44 5.43 2.34 -1.26 -3.55 118.68 118.43 2k8r s LEU 6 Ca 0.44 -1.15 0.03 0.00 0.06 0.00 0.00 54.13 53.50 2k8r s LEU 6 Cb -0.10 0.45 0.13 0.00 -0.56 0.00 0.00 46.19 46.11 2k8r s LEU 6 CO 0.36 -0.76 0.20 -0.22 -1.06 0.00 0.00 176.35 174.88 2k8r s LEU 7 N -3.04 3.39 -0.21 1.48 2.96 -1.26 -1.84 118.68 120.17 2k8r s LEU 7 Ca 0.23 -2.57 -0.26 0.00 -0.22 0.00 0.00 54.13 51.31 2k8r s LEU 7 Cb 0.07 -1.28 -0.00 0.00 0.50 0.00 0.00 46.19 45.48 2k8r s LEU 7 CO 0.02 -0.29 0.88 -0.47 -1.32 0.00 0.00 176.35 175.17 2k8r s TYR 8 N 0.37 3.35 -0.27 5.38 6.14 0.21 -4.42 117.35 128.11 2k8r s TYR 8 Ca 0.16 1.25 -0.13 0.00 0.64 0.00 0.00 57.07 58.99 2k8r s TYR 8 Cb -0.23 -3.09 -0.04 0.00 0.42 0.00 0.00 41.96 39.01 2k8r s TYR 8 CO -0.04 -0.37 0.27 0.00 0.64 0.00 0.00 175.55 176.06 2k8r n SER 10 N 5.15 2.65 0.00 0.00 7.64 -0.96 -3.91 113.62 124.19 2k8r n SER 10 Ca -0.11 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.09 2k8r n SER 10 Cb 0.51 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 10.61 0.00 0.00 6.43 4.05 -1.26 -4.57 115.26 130.52 2k8r n ASN 11 Ca 0.47 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.51 2k8r n ASN 11 Cb 0.43 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.44 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 1.89 1.95 7.00 8.20 0.00 -1.25 -5.10 105.19 117.88 2k8r n GLY 12 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.38 3.08 3.14 -0.02 0.00 -1.26 -4.71 105.19 105.04 2k8r n GLY 13 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 1.32 -0.10 1.61 3.76 -1.26 -5.00 115.29 115.61 2k8r s HIS 14 Ca 0.00 -0.30 0.01 0.00 -0.15 0.00 0.00 55.06 54.62 2k8r s HIS 14 Cb 0.00 -0.81 0.02 0.00 1.11 0.00 0.00 32.58 32.90 2k8r s HIS 14 CO 0.00 0.01 -0.11 -0.06 -0.85 0.00 0.00 174.74 173.73 2k8r s PHE 15 N -0.60 1.68 0.00 1.40 0.08 -1.15 0.88 117.98 120.27 2k8r s PHE 15 Ca 0.04 -0.79 0.00 0.00 0.12 0.00 0.00 56.93 56.30 2k8r s PHE 15 Cb -0.07 -1.28 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 2k8r s PHE 15 CO 0.00 -0.46 0.00 1.47 -0.10 0.00 0.00 175.22 176.13 2k8r n LEU 16 N 4.44 0.00 -3.83 -0.37 -0.00 -1.21 -4.07 117.00 111.96 2k8r n LEU 16 Ca -0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.71 2k8r n LEU 16 Cb 0.51 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.80 2k8r n LEU 16 CO 0.21 0.00 -0.23 -0.60 -0.00 0.00 0.00 177.39 176.78 2k8r s ARG 17 N 0.00 0.14 -0.07 1.47 3.52 -1.04 -3.05 118.95 119.93 2k8r s ARG 17 Ca 0.00 0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 2k8r s ARG 17 Cb 0.00 0.07 0.01 0.00 -1.56 0.00 0.00 34.95 33.47 2k8r s ARG 17 CO 0.00 -0.02 -0.14 -1.50 -0.81 0.00 0.00 175.30 172.83 2k8r s ILE 18 N 0.08 1.24 -0.13 4.11 1.10 -1.26 0.01 121.20 126.35 2k8r s ILE 18 Ca -0.00 -0.55 -0.14 0.00 -0.51 0.00 0.00 60.65 59.45 2k8r s ILE 18 Cb -0.01 -1.12 -0.05 0.00 0.15 0.00 0.00 42.46 41.44 2k8r s ILE 18 CO 0.00 0.38 0.32 -0.76 -2.11 0.00 0.00 174.94 172.77 2k8r s LEU 19 N 0.56 4.29 0.48 8.50 2.01 0.40 -4.79 118.68 130.13 2k8r s LEU 19 Ca -0.14 0.61 0.31 0.00 0.01 0.00 0.00 54.13 54.93 2k8r s LEU 19 Cb -0.15 -2.43 1.41 0.00 0.01 0.00 0.00 46.19 45.03 2k8r s LEU 19 CO 0.04 0.14 1.74 1.55 1.01 0.00 0.00 176.35 180.83 2k8r h PRO 20 N 6.30 0.13 -0.67 1.29 0.13 -1.90 0.51 132.00 137.80 2k8r h PRO 20 Ca -0.43 -0.01 0.19 0.00 -0.87 0.00 0.00 66.00 64.88 2k8r h PRO 20 Cb 1.18 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2k8r h PRO 20 CO 0.73 0.09 0.55 -0.44 -0.23 0.00 0.00 178.00 178.69 2k8r h ASP 21 N 0.13 0.00 0.00 1.44 3.32 -1.95 -3.37 116.42 116.00 2k8r h ASP 21 Ca 0.65 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.70 2k8r h ASP 21 Cb 2.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.78 2k8r h ASP 21 CO -0.17 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.96 2k8r n GLY 22 N -1.62 0.74 3.50 2.75 0.00 0.18 -4.85 105.19 105.88 2k8r n GLY 22 Ca 0.13 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.50 0.01 -0.08 2.61 2.01 -0.99 -4.35 115.64 114.34 2k8r s THR 23 Ca 0.00 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2k8r s THR 23 Cb 0.00 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 2k8r s THR 23 CO 0.00 -0.02 -0.06 0.54 -0.69 0.00 0.00 174.62 174.39 2k8r s VAL 24 N -0.20 3.81 0.25 3.82 0.11 -1.26 0.15 120.40 127.09 2k8r s VAL 24 Ca -0.04 -0.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 2k8r s VAL 24 Cb -0.03 -2.57 -0.01 0.00 -1.53 0.00 0.00 36.38 32.24 2k8r s VAL 24 CO 0.03 0.59 0.28 -0.90 -3.33 0.00 0.00 175.10 171.78 2k8r n ASP 25 N 2.28 -0.75 -4.79 3.54 5.75 0.10 -4.58 116.55 118.10 2k8r n ASP 25 Ca -0.18 -2.53 -0.33 0.00 -0.01 0.00 0.00 54.79 51.73 2k8r n ASP 25 Cb 0.53 1.54 0.01 0.00 -1.03 0.00 0.00 41.12 42.16 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 -2.68 2.28 -0.24 6.12 0.00 -1.26 -2.48 107.32 109.06 2k8r s GLY 26 Ca 0.26 0.53 -0.29 0.00 0.00 0.00 0.00 44.72 45.22 2k8r s GLY 26 CO 0.19 0.86 1.22 -1.59 0.00 0.00 0.00 173.10 173.77 2k8r s THR 27 N -2.24 0.00 -0.08 0.90 2.01 0.25 -4.69 115.64 111.80 2k8r s THR 27 Ca 0.66 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.66 2k8r s THR 27 Cb -0.18 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 2k8r s THR 27 CO 0.33 0.00 -0.05 0.00 -0.69 0.00 0.00 174.62 174.21 2k8r s ARG 28 N -0.94 2.91 0.01 4.92 1.70 -1.26 -2.91 118.95 123.37 2k8r s ARG 28 Ca 0.05 -0.52 -0.07 0.00 -0.47 0.00 0.00 55.73 54.72 2k8r s ARG 28 Cb -0.01 -2.66 0.02 0.00 -0.57 0.00 0.00 34.95 31.73 2k8r s ARG 28 CO -0.05 0.61 0.31 -3.47 -1.08 0.00 0.00 175.30 171.62 2k8r n ASP 29 N 2.39 -0.34 -4.15 -2.89 -0.08 -1.26 -5.07 116.55 105.15 2k8r n ASP 29 Ca -0.18 -1.10 -0.38 0.00 -1.51 0.00 0.00 54.79 51.62 2k8r n ASP 29 Cb 0.53 0.53 -0.06 0.00 2.34 0.00 0.00 41.12 44.46 2k8r n ASP 29 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2k8r s ARG 30 N -2.01 3.32 -1.38 -0.67 6.06 -1.26 -4.71 118.95 118.30 2k8r s ARG 30 Ca 0.07 -3.13 -0.09 0.00 -2.50 0.00 0.00 55.73 50.08 2k8r s ARG 30 Cb -0.00 -4.03 0.06 0.00 0.06 0.00 0.00 34.95 31.04 2k8r s ARG 30 CO 0.00 -1.25 0.58 0.43 -2.50 0.00 0.00 175.30 172.56 2k8r n SER 31 N 2.61 -4.43 -3.78 -2.12 7.64 -1.26 -4.94 113.62 107.34 2k8r n SER 31 Ca 0.20 -0.41 -0.28 0.00 1.01 0.00 0.00 58.87 59.38 2k8r n SER 31 Cb 0.38 -3.62 -0.16 0.00 -1.01 0.00 0.00 64.21 59.80 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 -2.78 3.17 0.00 6.43 1.01 -1.26 -4.30 116.67 118.93 2k8r s ASP 32 Ca 0.41 -0.94 0.00 0.00 0.71 0.00 0.00 52.55 52.73 2k8r s ASP 32 Cb -0.21 -0.74 0.00 0.00 1.01 0.00 0.00 42.92 42.98 2k8r s ASP 32 CO 0.50 -0.29 0.00 1.67 0.21 0.00 0.00 175.17 177.26 2k8r n GLN 33 N 4.96 1.69 -0.42 8.23 0.00 -1.26 -4.73 117.38 125.85 2k8r n GLN 33 Ca -0.09 0.00 0.35 0.00 -0.00 0.00 0.00 57.00 57.26 2k8r n GLN 33 Cb 0.46 0.00 0.62 0.00 0.00 0.00 0.00 30.24 31.33 2k8r n GLN 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2k8r h HIS 34 N -0.31 0.60 0.00 3.69 6.17 -1.85 -3.36 115.15 120.09 2k8r h HIS 34 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2k8r h HIS 34 Cb 0.00 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 29.78 2k8r h HIS 34 CO 0.00 -0.23 0.00 -0.89 0.71 0.00 0.00 177.93 177.52 2k8r n ILE 35 N -4.79 0.00 0.00 6.26 5.41 -1.26 -5.02 119.36 119.97 2k8r n ILE 35 Ca 0.37 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.12 2k8r n ILE 35 Cb 1.37 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 40.14 2k8r n ILE 35 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2k8r n GLN 36 N -2.04 0.00 -4.31 0.38 7.27 -1.26 -4.94 117.38 112.48 2k8r n GLN 36 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 2k8r n GLN 36 Cb 0.00 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.54 2k8r n GLN 36 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2k8r s LEU 37 N 0.00 3.48 0.03 1.69 0.20 -1.23 0.22 118.68 123.06 2k8r s LEU 37 Ca 0.00 0.01 0.07 0.00 0.69 0.00 0.00 54.13 54.90 2k8r s LEU 37 Cb 0.00 -1.83 -0.02 0.00 -0.43 0.00 0.00 46.19 43.91 2k8r s LEU 37 CO 0.00 0.24 -0.20 -1.10 -0.29 0.00 0.00 176.35 175.00 2k8r s GLN 38 N -0.07 1.41 -0.25 1.98 -0.21 0.32 0.79 119.66 123.63 2k8r s GLN 38 Ca 0.03 -0.88 -0.02 0.00 0.02 0.00 0.00 55.36 54.51 2k8r s GLN 38 Cb -0.13 -1.48 0.13 0.00 1.00 0.00 0.00 33.01 32.53 2k8r s GLN 38 CO 0.02 0.38 0.33 -1.17 -2.12 0.00 0.00 175.29 172.73 2k8r s LEU 39 N -1.03 -0.44 0.00 2.90 0.20 -1.26 0.11 118.68 119.16 2k8r s LEU 39 Ca 0.07 -0.18 0.00 0.00 0.69 0.00 0.00 54.13 54.71 2k8r s LEU 39 Cb -0.08 0.81 0.00 0.00 -0.43 0.00 0.00 46.19 46.48 2k8r s LEU 39 CO 0.01 -0.33 0.00 -1.20 -0.29 0.00 0.00 176.35 174.54 2k8r n SER 40 N 5.34 0.00 -2.26 3.68 7.64 -1.19 -3.55 113.62 123.28 2k8r n SER 40 Ca -0.03 -0.81 -0.13 0.00 1.01 0.00 0.00 58.87 58.91 2k8r n SER 40 Cb 0.49 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.74 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 -0.80 -2.29 -0.43 0.00 -1.26 -3.96 120.51 108.77 2k8r n ALA 41 Ca 0.00 0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.45 2k8r n ALA 41 Cb 0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 19.45 16.31 2k8r n ALA 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k8r s GLU 42 N -5.58 1.60 0.00 0.00 0.41 -1.26 -4.83 118.70 109.04 2k8r s GLU 42 Ca 0.28 -1.92 0.00 0.00 -0.41 0.00 0.00 54.97 52.92 2k8r s GLU 42 Cb -0.12 0.17 0.00 0.00 -1.78 0.00 0.00 34.13 32.39 2k8r s GLU 42 CO 0.41 -0.54 0.00 -1.13 -0.49 0.00 0.00 175.26 173.51 2k8r n SER 43 N -1.11 0.00 -4.55 -0.19 3.41 -1.26 -4.86 113.62 105.07 2k8r n SER 43 Ca 0.04 -0.19 -0.39 0.00 -0.26 0.00 0.00 58.87 58.06 2k8r n SER 43 Cb 0.64 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 2k8r n SER 43 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2k8r s VAL 44 N 0.10 3.54 0.00 -3.33 0.11 -1.26 -3.49 120.40 116.06 2k8r s VAL 44 Ca 0.00 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2k8r s VAL 44 Cb 0.00 -4.43 0.00 0.00 -1.53 0.00 0.00 36.38 30.42 2k8r s VAL 44 CO 0.00 -1.38 0.00 0.61 -3.33 0.00 0.00 175.10 171.00 2k8r n GLY 45 N 5.59 3.18 3.76 6.54 0.00 -1.26 -5.06 105.19 117.94 2k8r n GLY 45 Ca 0.13 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 3.74 -0.04 1.61 2.02 -1.23 -1.36 118.70 123.44 2k8r s GLU 46 Ca 0.00 2.12 -0.02 0.00 0.02 0.00 0.00 54.97 57.09 2k8r s GLU 46 Cb 0.00 -2.58 0.03 0.00 0.10 0.00 0.00 34.13 31.67 2k8r s GLU 46 CO 0.00 -0.67 0.09 0.14 0.02 0.00 0.00 175.26 174.85 2k8r s VAL 47 N -1.32 -0.04 -0.41 2.63 -7.23 0.27 -4.07 120.40 110.23 2k8r s VAL 47 Ca 0.61 0.13 -0.12 0.00 -1.81 0.00 0.00 61.98 60.79 2k8r s VAL 47 Cb -0.37 -0.16 0.05 0.00 0.56 0.00 0.00 36.38 36.46 2k8r s VAL 47 CO 0.47 0.05 0.27 -0.47 -0.31 0.00 0.00 175.10 175.11 2k8r s TYR 48 N 0.78 3.27 -0.32 2.82 5.04 -1.25 -2.02 117.35 125.66 2k8r s TYR 48 Ca -0.06 -1.05 -0.28 0.00 -2.44 0.00 0.00 57.07 53.24 2k8r s TYR 48 Cb -0.08 -2.74 0.01 0.00 0.35 0.00 0.00 41.96 39.50 2k8r s TYR 48 CO -0.03 -0.72 1.00 0.42 -1.34 0.00 0.00 175.55 174.87 2k8r s ILE 49 N 1.55 4.58 -0.34 3.14 1.01 -1.26 -3.19 121.20 126.70 2k8r s ILE 49 Ca 0.03 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.27 2k8r s ILE 49 Cb -0.21 -4.35 0.08 0.00 0.01 0.00 0.00 42.46 37.99 2k8r s ILE 49 CO 0.06 -0.42 0.06 -0.75 0.00 0.00 0.00 174.94 173.89 2k8r s LYS 50 N 3.47 2.03 -0.33 2.79 2.47 0.31 -4.30 119.74 126.17 2k8r s LYS 50 Ca 0.42 -1.60 -0.18 0.00 -1.56 0.00 0.00 55.97 53.05 2k8r s LYS 50 Cb -0.13 -3.27 -0.01 0.00 -1.46 0.00 0.00 37.83 32.96 2k8r s LYS 50 CO 0.15 -0.83 0.50 -1.12 0.16 0.00 0.00 175.35 174.20 2k8r s SER 51 N 1.31 6.33 0.00 1.43 0.01 -1.26 0.12 113.70 121.64 2k8r s SER 51 Ca 0.03 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2k8r s SER 51 Cb -0.20 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2k8r s SER 51 CO -0.04 -0.41 0.00 0.41 0.41 0.00 0.00 173.24 173.60 2k8r n THR 52 N 5.34 -1.52 -0.31 1.44 -1.04 0.58 -4.06 114.28 114.72 2k8r n THR 52 Ca -0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.98 2k8r n THR 52 Cb 0.49 -1.52 0.09 0.00 -1.82 0.00 0.00 70.33 67.57 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 -0.02 -2.44 -2.82 4.57 -1.88 -3.41 114.58 108.58 2k8r h GLU 53 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2k8r h GLU 53 Cb 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 28.75 28.35 2k8r h GLU 53 CO 0.00 -0.01 -0.21 0.95 -1.18 0.00 0.00 179.01 178.56 2k8r s THR 54 N -6.18 -0.06 0.00 0.32 -4.23 -1.26 -4.94 115.64 99.29 2k8r s THR 54 Ca -0.15 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2k8r s THR 54 Cb 0.23 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.34 2k8r s THR 54 CO 0.75 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.47 2k8r n GLY 55 N 4.35 1.60 3.31 3.99 0.00 -1.26 -5.12 105.19 112.06 2k8r n GLY 55 Ca -0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 2k8r n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k8r s GLN 56 N 0.00 1.26 -0.26 1.61 -1.52 -1.26 -4.66 119.66 114.83 2k8r s GLN 56 Ca 0.00 -1.61 -0.01 0.00 -1.95 0.00 0.00 55.36 51.79 2k8r s GLN 56 Cb 0.00 -0.67 0.13 0.00 -0.22 0.00 0.00 33.01 32.25 2k8r s GLN 56 CO 0.00 -0.02 0.34 -0.47 -0.25 0.00 0.00 175.29 174.89 2k8r s TYR 57 N -3.35 -0.69 -0.09 0.91 6.14 0.25 -4.73 117.35 115.80 2k8r s TYR 57 Ca 0.24 0.38 -0.30 0.00 0.64 0.00 0.00 57.07 58.04 2k8r s TYR 57 Cb 0.04 -0.20 -0.04 0.00 0.42 0.00 0.00 41.96 42.18 2k8r s TYR 57 CO 0.06 -0.81 1.55 -1.17 0.64 0.00 0.00 175.55 175.82 2k8r s LEU 58 N 2.47 4.26 0.02 6.97 1.98 -1.26 -2.73 118.68 130.39 2k8r s LEU 58 Ca 0.10 2.06 -0.04 0.00 -2.89 0.00 0.00 54.13 53.36 2k8r s LEU 58 Cb -0.14 -3.53 -0.01 0.00 0.66 0.00 0.00 46.19 43.16 2k8r s LEU 58 CO -0.23 -0.90 0.07 0.00 -1.89 0.00 0.00 176.35 173.40 2k8r s ALA 59 N 3.97 -0.06 -0.11 5.97 0.00 0.33 -4.40 121.76 127.45 2k8r s ALA 59 Ca 0.68 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 2k8r s ALA 59 Cb -0.30 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 2k8r s ALA 59 CO 0.26 -0.24 -0.07 0.00 0.00 0.00 0.00 175.76 175.70 2k8r s MET 60 N -1.97 3.19 0.21 0.00 0.23 -1.26 0.33 119.30 120.03 2k8r s MET 60 Ca -0.11 -0.57 -0.30 0.00 -1.03 0.00 0.00 55.69 53.69 2k8r s MET 60 Cb -0.05 -2.70 -0.08 0.00 -1.53 0.00 0.00 34.83 30.46 2k8r s MET 60 CO -0.02 0.43 1.03 0.34 -2.03 0.00 0.00 175.02 174.77 2k8r s ASP 61 N -0.18 7.42 0.34 -1.18 -1.08 0.60 -4.92 116.67 117.67 2k8r s ASP 61 Ca 0.02 2.05 0.11 0.00 -0.52 0.00 0.00 52.55 54.21 2k8r s ASP 61 Cb -0.13 -2.61 0.89 0.00 -1.46 0.00 0.00 42.92 39.61 2k8r s ASP 61 CO 0.03 -0.07 1.77 0.00 0.52 0.00 0.00 175.17 177.42 2k8r h THR 62 N 3.45 0.62 -0.30 1.71 1.03 -1.99 -1.00 112.91 116.44 2k8r h THR 62 Ca -0.45 -0.21 -0.04 0.00 -0.01 0.00 0.00 66.41 65.70 2k8r h THR 62 Cb 1.21 -0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.24 2k8r h THR 62 CO 0.70 0.11 0.01 -0.78 -0.01 0.00 0.00 175.52 175.55 2k8r h ASP 63 N 0.60 0.50 0.00 0.00 3.58 -2.01 -3.47 116.42 115.62 2k8r h ASP 63 Ca 0.59 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.74 2k8r h ASP 63 Cb 1.14 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2k8r h ASP 63 CO -0.36 0.67 0.00 0.61 -2.88 0.00 0.00 179.24 177.28 2k8r n GLY 64 N -0.37 -0.07 2.91 -0.78 0.00 -0.38 -3.93 105.19 102.57 2k8r n GLY 64 Ca -0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 2.04 -0.19 0.99 1.98 -1.21 -2.02 118.68 120.27 2k8r s LEU 65 Ca 0.00 -0.09 -0.07 0.00 -2.89 0.00 0.00 54.13 51.07 2k8r s LEU 65 Cb 0.00 -0.05 -0.04 0.00 0.66 0.00 0.00 46.19 46.76 2k8r s LEU 65 CO 0.00 -0.03 0.06 -0.76 -1.89 0.00 0.00 176.35 173.74 2k8r s LEU 66 N -0.24 3.76 0.11 -0.68 1.02 -1.26 0.22 118.68 121.62 2k8r s LEU 66 Ca -0.02 0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.19 2k8r s LEU 66 Cb -0.02 -1.96 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 2k8r s LEU 66 CO -0.00 0.15 -0.05 -0.72 0.02 0.00 0.00 176.35 175.75 2k8r s TYR 67 N 0.54 0.94 -0.18 0.29 1.13 0.15 -4.03 117.35 116.20 2k8r s TYR 67 Ca 0.03 -0.95 0.15 0.00 -1.41 0.00 0.00 57.07 54.89 2k8r s TYR 67 Cb -0.13 -0.54 0.32 0.00 -1.10 0.00 0.00 41.96 40.50 2k8r s TYR 67 CO 0.01 -0.18 1.21 0.41 -2.51 0.00 0.00 175.55 174.49 2k8r n GLY 68 N -0.08 4.28 3.75 5.49 0.00 -1.25 0.12 105.19 117.50 2k8r n GLY 68 Ca -0.11 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.26 6.64 -0.67 1.61 0.01 -1.10 0.87 113.70 118.80 2k8r s SER 69 Ca 0.30 2.72 -0.26 0.00 1.31 0.00 0.00 55.95 60.01 2k8r s SER 69 Cb 0.25 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.75 2k8r s SER 69 CO 0.05 -0.69 2.34 -1.58 0.41 0.00 0.00 173.24 173.77 2k8r s GLN 70 N -0.84 1.92 -0.38 12.44 -0.44 -1.26 -4.04 119.66 127.07 2k8r s GLN 70 Ca 0.57 0.81 0.03 0.00 -2.50 0.00 0.00 55.36 54.26 2k8r s GLN 70 Cb -0.42 -4.70 0.15 0.00 -1.64 0.00 0.00 33.01 26.40 2k8r s GLN 70 CO 0.47 -3.81 0.34 0.99 0.50 0.00 0.00 175.29 173.79 2k8r s THR 71 N 13.10 -0.18 -0.02 -0.34 2.01 -1.26 -4.97 115.64 123.98 2k8r s THR 71 Ca 0.91 -1.31 -0.36 0.00 0.31 0.00 0.00 61.69 61.24 2k8r s THR 71 Cb -0.14 -0.80 -0.15 0.00 0.01 0.00 0.00 72.50 71.42 2k8r s THR 71 CO 0.15 -0.72 1.60 -0.81 -0.69 0.00 0.00 174.62 174.15 2k8r n PRO 72 N 4.02 1.59 -3.88 4.92 -0.04 -1.26 -4.93 135.00 135.41 2k8r n PRO 72 Ca 0.13 0.58 -0.00 0.00 -0.04 0.00 0.00 63.50 64.17 2k8r n PRO 72 Cb 0.44 -2.30 0.01 0.00 -0.04 0.00 0.00 33.50 31.61 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 1.99 -0.01 0.40 3.54 3.84 -1.26 -5.03 114.94 118.41 2k8r s ASN 73 Ca 0.88 -0.41 0.23 0.00 0.21 0.00 0.00 52.86 53.78 2k8r s ASN 73 Cb -0.87 0.32 0.33 0.00 -0.55 0.00 0.00 41.25 40.48 2k8r s ASN 73 CO 0.50 -0.62 1.55 -0.33 -2.79 0.00 0.00 177.10 175.41 2k8r h GLU 74 N 2.00 0.00 -0.58 0.43 5.08 -2.00 -3.33 114.58 116.17 2k8r h GLU 74 Ca -0.26 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.27 2k8r h GLU 74 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2k8r h GLU 74 CO 0.33 0.00 0.76 0.93 -1.00 0.00 0.00 179.01 180.02 2k8r h GLU 75 N 0.00 0.00 0.00 2.33 4.39 -1.94 0.49 114.58 119.85 2k8r h GLU 75 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k8r h GLU 75 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 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 -4.13 3.23 0.31 0.00 2.01 0.17 -4.07 118.68 116.20 2k8r s LEU 77 Ca 0.05 -0.29 0.09 0.00 0.01 0.00 0.00 54.13 53.99 2k8r s LEU 77 Cb 0.09 -2.55 -0.05 0.00 0.01 0.00 0.00 46.19 43.70 2k8r s LEU 77 CO 0.36 -2.54 0.05 -0.36 1.01 0.00 0.00 176.35 174.86 2k8r s PHE 78 N 9.45 2.65 -0.20 0.29 0.08 -0.86 -0.60 117.98 128.79 2k8r s PHE 78 Ca 0.68 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 57.37 2k8r s PHE 78 Cb -0.09 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 2k8r s PHE 78 CO 0.08 0.49 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.40 2k8r s LEU 79 N -3.74 2.54 -0.25 -0.37 1.98 0.25 0.94 118.68 120.03 2k8r s LEU 79 Ca 0.34 -0.51 -0.13 0.00 -2.89 0.00 0.00 54.13 50.94 2k8r s LEU 79 Cb -0.03 -1.62 -0.04 0.00 0.66 0.00 0.00 46.19 45.16 2k8r s LEU 79 CO 0.21 -0.01 0.30 -0.70 -1.89 0.00 0.00 176.35 174.26 2k8r s GLU 80 N 1.38 4.06 -0.46 1.98 2.12 -0.46 -1.15 118.70 126.16 2k8r s GLU 80 Ca 0.05 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.35 2k8r s GLU 80 Cb -0.14 -3.60 0.12 0.00 0.26 0.00 0.00 34.13 30.78 2k8r s GLU 80 CO -0.08 -0.12 0.22 0.50 -0.54 0.00 0.00 175.26 175.25 2k8r s ARG 81 N 1.57 1.94 -0.40 4.30 3.52 0.29 -4.78 118.95 125.38 2k8r s ARG 81 Ca 0.13 -2.23 -0.17 0.00 -0.13 0.00 0.00 55.73 53.33 2k8r s ARG 81 Cb -0.15 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2k8r s ARG 81 CO 0.08 -1.06 0.43 -1.17 -0.81 0.00 0.00 175.30 172.77 2k8r s LEU 82 N 0.38 4.76 0.23 -0.88 2.96 -1.26 0.15 118.68 125.02 2k8r s LEU 82 Ca 0.13 -0.56 0.25 0.00 -0.22 0.00 0.00 54.13 53.73 2k8r s LEU 82 Cb -0.22 -2.39 0.91 0.00 0.50 0.00 0.00 46.19 44.99 2k8r s LEU 82 CO -0.04 -0.53 1.74 1.21 -1.32 0.00 0.00 176.35 177.41 2k8r n GLU 83 N 5.57 0.22 0.00 1.98 2.13 -1.03 -4.90 120.64 124.61 2k8r n GLU 83 Ca -0.07 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.07 2k8r n GLU 83 Cb 0.48 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.35 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 -2.23 0.00 -1.11 5.31 0.28 -1.24 -4.91 120.64 116.73 2k8r n GLU 84 Ca 0.04 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.70 2k8r n GLU 84 Cb 0.32 -0.18 -0.03 0.00 1.43 0.00 0.00 31.44 32.98 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 0.39 5.16 -4.36 -1.84 5.15 -1.26 -4.53 115.26 113.98 2k8r n ASN 85 Ca 0.00 -2.54 -0.39 0.00 -0.60 0.00 0.00 54.58 51.06 2k8r n ASN 85 Cb 0.00 -1.30 -0.08 0.00 -0.53 0.00 0.00 39.78 37.88 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 5.05 -1.11 -3.59 1.20 1.44 -1.26 -4.86 115.22 112.08 2k8r n HIS 86 Ca 0.55 0.64 -0.09 0.00 -2.01 0.00 0.00 57.72 56.81 2k8r n HIS 86 Cb 0.25 -1.90 -0.05 0.00 0.12 0.00 0.00 29.99 28.41 2k8r n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2k8r s TYR 87 N -3.32 -0.32 0.24 -1.40 -0.85 -1.26 -4.62 117.35 105.83 2k8r s TYR 87 Ca 0.67 0.57 -0.05 0.00 -0.52 0.00 0.00 57.07 57.74 2k8r s TYR 87 Cb -0.39 0.45 -0.02 0.00 0.38 0.00 0.00 41.96 42.38 2k8r s TYR 87 CO 0.97 -0.28 0.31 0.54 -1.52 0.00 0.00 175.55 175.57 2k8r s ASN 88 N -1.00 0.25 0.05 -0.18 2.20 0.21 -2.47 114.94 114.00 2k8r s ASN 88 Ca 0.00 -1.25 0.07 0.00 -0.94 0.00 0.00 52.86 50.74 2k8r s ASN 88 Cb -0.01 0.50 -0.03 0.00 -2.00 0.00 0.00 41.25 39.72 2k8r s ASN 88 CO -0.01 -1.02 -0.19 0.42 -2.94 0.00 0.00 177.10 173.36 2k8r s THR 89 N -3.92 1.52 -0.08 0.54 -4.23 0.39 -2.78 115.64 107.08 2k8r s THR 89 Ca 0.32 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.65 2k8r s THR 89 Cb 0.03 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.52 2k8r s THR 89 CO 0.13 0.09 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.79 2k8r s TYR 90 N -0.89 2.14 0.09 3.99 2.02 -1.26 0.10 117.35 123.54 2k8r s TYR 90 Ca 0.06 -0.80 0.04 0.00 -0.37 0.00 0.00 57.07 56.00 2k8r s TYR 90 Cb -0.09 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 2k8r s TYR 90 CO 0.02 -0.32 -0.10 0.96 -1.57 0.00 0.00 175.55 174.54 2k8r s ILE 91 N 0.31 0.92 -0.23 2.71 -4.36 -0.30 -3.60 121.20 116.65 2k8r s ILE 91 Ca -0.14 -1.57 -0.29 0.00 -0.26 0.00 0.00 60.65 58.40 2k8r s ILE 91 Cb -0.16 -1.27 -0.00 0.00 1.25 0.00 0.00 42.46 42.27 2k8r s ILE 91 CO 0.06 -0.52 1.21 -0.44 0.24 0.00 0.00 174.94 175.49 2k8r s SER 92 N -2.31 6.91 -0.02 4.36 0.01 -1.26 0.85 113.70 122.23 2k8r s SER 92 Ca 0.04 1.44 -0.24 0.00 1.31 0.00 0.00 55.95 58.49 2k8r s SER 92 Cb -0.04 -2.54 -0.17 0.00 0.21 0.00 0.00 66.02 63.48 2k8r s SER 92 CO 0.00 -0.84 1.14 0.50 0.41 0.00 0.00 173.24 174.45 2k8r h LYS 93 N 8.31 -0.24 0.00 12.44 3.11 -1.14 -2.42 116.57 136.63 2k8r h LYS 93 Ca -0.24 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 2k8r h LYS 93 Cb 1.09 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 2k8r h LYS 93 CO 1.00 0.15 0.00 -0.22 -2.81 0.00 0.00 179.45 177.56 2k8r h LYS 94 N -0.71 0.00 -0.57 1.90 3.64 -1.86 -2.43 116.57 116.53 2k8r h LYS 94 Ca -0.03 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.95 2k8r h LYS 94 Cb 0.50 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.02 2k8r h LYS 94 CO 0.04 0.00 -0.56 0.72 -2.27 0.00 0.00 179.45 177.38 2k8r n HIS 95 N -2.65 2.03 -0.38 1.91 8.25 -1.17 -4.82 115.22 118.40 2k8r n HIS 95 Ca -0.00 -2.07 0.31 0.00 -0.26 0.00 0.00 57.72 55.70 2k8r n HIS 95 Cb 0.17 -0.41 0.62 0.00 1.12 0.00 0.00 29.99 31.49 2k8r n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k8r h ALA 96 N 1.80 2.68 -0.00 -1.41 0.00 -0.92 0.80 119.26 122.20 2k8r h ALA 96 Ca 0.29 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2k8r h ALA 96 Cb 1.38 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2k8r h ALA 96 CO 0.62 -1.14 0.00 0.93 0.00 0.00 0.00 179.25 179.67 2k8r h GLU 97 N 0.19 0.00 -2.16 0.00 4.39 -1.87 -3.10 114.58 112.03 2k8r h GLU 97 Ca 0.67 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.78 2k8r h GLU 97 Cb 2.11 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 30.34 2k8r h GLU 97 CO -0.24 0.00 -0.73 1.63 -1.16 0.00 0.00 179.01 178.50 2k8r n LYS 98 N -3.77 2.21 -0.95 2.33 5.02 0.28 -5.00 118.16 118.28 2k8r n LYS 98 Ca -0.03 -4.35 -0.35 0.00 -2.02 0.00 0.00 58.31 51.55 2k8r n LYS 98 Cb 0.08 -2.02 -0.04 0.00 -0.02 0.00 0.00 35.03 33.03 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 0.74 3.11 -4.47 4.39 6.94 -1.18 -4.77 115.26 120.02 2k8r n ASN 99 Ca 0.28 -2.54 -0.43 0.00 -0.02 0.00 0.00 54.58 51.87 2k8r n ASN 99 Cb 0.44 -1.06 -0.07 0.00 -2.36 0.00 0.00 39.78 36.73 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 4.58 3.08 0.20 -2.53 0.52 -1.26 -4.99 118.94 118.55 2k8r s TRP 100 Ca 0.50 -0.40 -0.32 0.00 0.02 0.00 0.00 56.10 55.90 2k8r s TRP 100 Cb 0.13 -3.35 -0.15 0.00 -1.15 0.00 0.00 33.47 28.95 2k8r s TRP 100 CO 0.08 -0.92 1.21 1.19 0.02 0.00 0.00 176.95 178.53 2k8r n PHE 101 N 6.06 1.53 0.00 -1.98 3.72 -1.26 -4.77 117.46 120.75 2k8r n PHE 101 Ca -0.06 0.62 0.00 0.00 -0.05 0.00 0.00 57.45 57.96 2k8r n PHE 101 Cb 0.46 -2.32 0.00 0.00 -0.94 0.00 0.00 39.48 36.68 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 1.48 0.00 0.00 -4.37 0.24 -1.24 -4.64 118.33 109.81 2k8r n VAL 102 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 2k8r n VAL 102 Cb 0.27 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 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 3.93 4.37 3.72 7.63 0.00 -1.26 -4.63 105.19 118.95 2k8r n GLY 103 Ca 0.00 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 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 3.07 0.01 0.99 2.34 -1.26 0.14 118.68 123.97 2k8r s LEU 104 Ca 0.00 -1.13 -0.01 0.00 0.06 0.00 0.00 54.13 53.04 2k8r s LEU 104 Cb 0.00 -1.34 -0.01 0.00 -0.56 0.00 0.00 46.19 44.28 2k8r s LEU 104 CO 0.00 -0.53 0.01 -0.75 -1.06 0.00 0.00 176.35 174.01 2k8r s LYS 105 N -3.87 0.26 0.65 1.48 2.20 -0.58 -4.85 119.74 115.03 2k8r s LYS 105 Ca 0.40 -0.42 0.32 0.00 -0.36 0.00 0.00 55.97 55.91 2k8r s LYS 105 Cb 0.05 0.10 1.73 0.00 -1.51 0.00 0.00 37.83 38.20 2k8r s LYS 105 CO 0.22 -0.05 2.00 1.57 -0.36 0.00 0.00 175.35 178.73 2k8r h LYS 106 N 4.98 0.00 0.00 4.03 2.10 -1.91 0.25 116.57 126.01 2k8r h LYS 106 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 2k8r h LYS 106 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2k8r h LYS 106 CO 0.43 0.00 0.13 -2.95 -2.00 0.00 0.00 179.45 175.06 2k8r h ASN 107 N 0.00 0.00 -0.06 7.07 -1.07 -2.00 -3.45 115.58 116.07 2k8r h ASN 107 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.40 2k8r h ASN 107 Cb 0.61 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.86 2k8r h ASN 107 CO -0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k8r n GLY 108 N -1.15 1.25 3.53 9.14 0.00 0.07 -5.11 105.19 112.92 2k8r n GLY 108 Ca -0.02 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.09 -0.62 0.34 1.61 0.01 -1.20 -5.02 113.70 106.73 2k8r s SER 109 Ca 0.00 0.69 -0.09 0.00 1.31 0.00 0.00 55.95 57.87 2k8r s SER 109 Cb 0.00 0.53 -0.06 0.00 0.21 0.00 0.00 66.02 66.70 2k8r s SER 109 CO 0.00 -0.56 0.66 0.00 0.41 0.00 0.00 173.24 173.76 2k8r s LYS 111 N -3.54 1.48 0.07 0.00 -0.14 0.37 -4.86 119.74 113.12 2k8r s LYS 111 Ca 0.48 -2.28 0.00 0.00 -1.36 0.00 0.00 55.97 52.81 2k8r s LYS 111 Cb -0.11 -2.47 0.00 0.00 -1.68 0.00 0.00 37.83 33.58 2k8r s LYS 111 CO 0.28 -1.21 0.00 -2.13 -0.76 0.00 0.00 175.35 171.54 2k8r n ARG 112 N 3.17 0.00 0.13 1.68 0.00 -1.23 -4.13 116.66 116.27 2k8r n ARG 112 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.85 2k8r n ARG 112 Cb 0.36 -0.31 -0.08 0.00 0.00 0.00 0.00 32.46 32.43 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 -0.34 -0.70 5.14 0.00 -1.53 -3.29 103.07 102.35 2k8r h GLY 113 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 47.33 47.58 2k8r h GLY 113 CO 0.00 -0.12 -0.39 -2.55 0.00 0.00 0.00 176.54 173.47 2k8r h PRO 114 N -0.65 -0.10 0.00 4.80 0.11 -1.85 -3.45 132.00 130.87 2k8r h PRO 114 Ca -0.03 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2k8r h PRO 114 Cb 0.46 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2k8r h PRO 114 CO 0.05 -0.07 0.00 -2.13 -0.21 0.00 0.00 178.00 175.65 2k8r n ARG 115 N -5.43 0.00 -4.46 1.05 0.63 -1.24 -5.16 116.66 102.06 2k8r n ARG 115 Ca 0.06 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.67 2k8r n ARG 115 Cb 0.37 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.11 2k8r n ARG 115 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2k8r s THR 116 N 0.00 1.97 0.00 5.15 -1.32 -1.26 -4.73 115.64 115.45 2k8r s THR 116 Ca 0.00 -0.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 2k8r s THR 116 Cb 0.00 -1.77 0.00 0.00 -1.51 0.00 0.00 72.50 69.22 2k8r s THR 116 CO 0.00 0.53 0.00 1.41 -2.21 0.00 0.00 174.62 174.35 2k8r n HIS 117 N 4.28 0.00 -2.27 9.09 -0.00 -1.26 -4.81 115.22 120.25 2k8r n HIS 117 Ca -0.20 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.14 2k8r n HIS 117 Cb 0.51 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 2.96 0.00 4.41 2.02 -1.26 -4.69 117.35 120.79 2k8r s TYR 118 Ca 0.00 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.24 2k8r s TYR 118 Cb 0.00 -3.39 0.00 0.00 -0.40 0.00 0.00 41.96 38.17 2k8r s TYR 118 CO 0.00 -1.43 0.00 0.41 -1.57 0.00 0.00 175.55 172.96 2k8r n GLY 119 N 0.52 -0.36 0.54 0.71 0.00 -1.26 -4.62 105.19 100.72 2k8r n GLY 119 Ca 0.06 -1.03 0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 0.08 -1.22 1.61 4.20 -1.93 0.31 115.11 118.16 2k8r h GLN 120 Ca 0.00 -0.00 0.35 0.00 0.06 0.00 0.00 58.65 59.06 2k8r h GLN 120 Cb 0.00 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 2k8r h GLN 120 CO 0.00 0.05 0.86 1.57 -0.67 0.00 0.00 178.83 180.64 2k8r h LYS 121 N 0.08 0.08 0.00 1.46 5.09 -1.87 0.63 116.57 122.04 2k8r h LYS 121 Ca 0.77 -0.00 -0.04 0.00 0.09 0.00 0.00 60.65 61.46 2k8r h LYS 121 Cb 2.69 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 35.00 2k8r h LYS 121 CO -0.21 0.05 -0.19 0.00 -2.09 0.00 0.00 179.45 177.02 2k8r h ALA 122 N 1.43 1.04 -0.68 0.07 0.00 -0.63 -3.35 119.26 117.15 2k8r h ALA 122 Ca 0.61 -0.17 -0.31 0.00 0.00 0.00 0.00 54.91 55.03 2k8r h ALA 122 Cb 2.25 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 19.71 2k8r h ALA 122 CO -0.09 0.24 -0.85 -0.89 0.00 0.00 0.00 179.25 177.66 2k8r n ILE 123 N -3.38 0.45 -2.88 0.00 5.41 0.20 -4.70 119.36 114.47 2k8r n ILE 123 Ca -0.00 -2.55 -0.12 0.00 1.00 0.00 0.00 62.75 61.07 2k8r n ILE 123 Cb 0.40 0.75 0.04 0.00 -0.71 0.00 0.00 39.64 40.11 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 -0.18 -1.66 -4.59 1.39 7.94 -0.15 -4.82 117.00 114.94 2k8r n LEU 124 Ca 0.06 -3.93 -0.34 0.00 -1.11 0.00 0.00 56.01 50.69 2k8r n LEU 124 Cb 0.81 0.83 -0.11 0.00 0.53 0.00 0.00 43.42 45.48 2k8r n LEU 124 CO 0.13 2.09 -0.30 -0.36 -1.11 0.00 0.00 177.39 177.84 2k8r s PHE 125 N -0.24 3.16 -0.40 1.96 0.08 -1.12 -2.26 117.98 119.16 2k8r s PHE 125 Ca 0.30 -0.04 -0.02 0.00 0.12 0.00 0.00 56.93 57.28 2k8r s PHE 125 Cb 0.26 -1.98 0.11 0.00 -0.57 0.00 0.00 43.02 40.84 2k8r s PHE 125 CO -0.13 0.14 0.19 -1.17 -0.10 0.00 0.00 175.22 174.15 2k8r s LEU 126 N 0.15 5.17 0.36 -0.37 2.96 0.37 0.64 118.68 127.96 2k8r s LEU 126 Ca 0.02 -2.01 0.05 0.00 -0.22 0.00 0.00 54.13 51.97 2k8r s LEU 126 Cb -0.13 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2k8r s LEU 126 CO 0.02 -0.52 0.51 -2.16 -1.32 0.00 0.00 176.35 172.87 2k8r s PRO 127 N 1.13 3.11 0.24 0.98 0.04 -1.26 0.64 135.00 139.87 2k8r s PRO 127 Ca 0.08 -0.90 -0.30 0.00 0.04 0.00 0.00 61.00 59.92 2k8r s PRO 127 Cb -0.22 -2.77 -0.09 0.00 0.04 0.00 0.00 34.50 31.46 2k8r s PRO 127 CO -0.04 -0.00 1.20 -1.17 0.04 0.00 0.00 177.00 177.02 2k8r s LEU 128 N -4.25 4.47 0.26 -3.56 2.96 -0.76 -4.93 118.68 112.87 2k8r s LEU 128 Ca 0.46 2.34 -0.11 0.00 -0.22 0.00 0.00 54.13 56.59 2k8r s LEU 128 Cb -0.10 -3.62 0.38 0.00 0.50 0.00 0.00 46.19 43.36 2k8r s LEU 128 CO 0.32 -0.35 1.56 1.55 -1.32 0.00 0.00 176.35 178.11 2k8r h PRO 129 N 4.57 -0.00 -5.06 0.98 0.13 -1.97 -3.40 132.00 127.25 2k8r h PRO 129 Ca -0.46 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.25 2k8r h PRO 129 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.26 2k8r h PRO 129 CO 0.71 -0.00 1.76 1.33 -0.23 0.00 0.00 178.00 181.57 2k8r n VAL 130 N -5.57 -0.01 -3.84 1.56 0.24 -1.26 -4.82 118.33 104.63 2k8r n VAL 130 Ca 0.14 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.34 62.08 2k8r n VAL 130 Cb 0.46 -0.57 -0.04 0.00 -1.47 0.00 0.00 33.84 32.22 2k8r n VAL 130 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2k8r s SER 131 N 6.13 -0.19 0.77 -1.34 0.01 -1.26 -4.72 113.70 113.09 2k8r s SER 131 Ca 1.30 -0.65 -0.15 0.00 1.31 0.00 0.00 55.95 57.76 2k8r s SER 131 Cb -0.97 0.59 0.06 0.00 0.21 0.00 0.00 66.02 65.91 2k8r s SER 131 CO 0.48 -1.11 1.23 -0.44 0.41 0.00 0.00 173.24 173.81 2k8r s SER 132 N -2.93 3.84 0.00 2.44 0.01 -1.23 -4.94 113.70 110.89 2k8r s SER 132 Ca 0.14 2.44 0.00 0.00 1.31 0.00 0.00 55.95 59.84 2k8r s SER 132 Cb -0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2k8r s SER 132 CO 0.02 -2.51 0.00 -0.67 0.41 0.00 0.00 173.24 170.49