#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 4.13 0.00 -3.48 0.00 -1.26 -3.74 119.74 115.39 2k8r s LYS 2 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 55.97 56.62 2k8r s LYS 2 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 37.83 34.59 2k8r s LYS 2 CO 0.00 0.64 0.00 1.63 0.00 0.00 0.00 175.35 177.62 2k8r n LYS 3 N 1.79 0.00 -1.55 1.78 5.02 -1.26 -5.06 118.16 118.88 2k8r n LYS 3 Ca -0.11 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.83 2k8r n LYS 3 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.48 2k8r n LYS 3 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2k8r n PRO 4 N -0.05 0.90 -4.05 1.97 -0.02 -1.26 -4.33 135.00 128.16 2k8r n PRO 4 Ca 0.00 -0.07 -0.22 0.00 -2.02 0.00 0.00 63.50 61.19 2k8r n PRO 4 Cb 0.00 -3.27 -0.05 0.00 -0.02 0.00 0.00 33.50 30.16 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 8.40 2.73 0.09 -0.52 2.20 0.36 -4.76 119.74 128.24 2k8r s LYS 5 Ca 1.02 -1.22 -0.08 0.00 -0.36 0.00 0.00 55.97 55.32 2k8r s LYS 5 Cb -0.28 -2.44 -0.01 0.00 -1.51 0.00 0.00 37.83 33.59 2k8r s LYS 5 CO 0.27 0.28 0.18 -0.48 -0.36 0.00 0.00 175.35 175.24 2k8r s LEU 6 N -3.86 1.47 -0.45 5.43 2.34 -1.26 -3.54 118.68 118.81 2k8r s LEU 6 Ca 0.35 -0.71 0.03 0.00 0.06 0.00 0.00 54.13 53.86 2k8r s LEU 6 Cb -0.07 0.97 0.12 0.00 -0.56 0.00 0.00 46.19 46.65 2k8r s LEU 6 CO 0.24 -0.73 0.19 -0.22 -1.06 0.00 0.00 176.35 174.77 2k8r s LEU 7 N -2.88 4.69 -0.06 1.48 2.96 -1.26 -2.61 118.68 121.01 2k8r s LEU 7 Ca 0.07 -2.56 -0.18 0.00 -0.22 0.00 0.00 54.13 51.23 2k8r s LEU 7 Cb 0.05 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 45.01 2k8r s LEU 7 CO -0.10 -0.34 0.50 -0.47 -1.32 0.00 0.00 176.35 174.63 2k8r s TYR 8 N 0.35 3.61 -0.21 5.38 5.04 0.25 -4.47 117.35 127.31 2k8r s TYR 8 Ca 0.14 1.01 -0.02 0.00 -2.44 0.00 0.00 57.07 55.76 2k8r s TYR 8 Cb -0.22 -2.52 0.00 0.00 0.35 0.00 0.00 41.96 39.57 2k8r s TYR 8 CO -0.04 0.33 -0.08 0.00 -1.34 0.00 0.00 175.55 174.41 2k8r n SER 10 N 4.75 4.37 -1.30 0.00 2.88 -1.20 -4.21 113.62 118.90 2k8r n SER 10 Ca -0.19 -2.54 0.03 0.00 -1.33 0.00 0.00 58.87 54.85 2k8r n SER 10 Cb 0.50 -1.22 0.09 0.00 -0.75 0.00 0.00 64.21 62.83 2k8r n SER 10 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2k8r n ASN 11 N 5.51 1.46 0.00 -3.46 4.05 -1.26 -4.92 115.26 116.64 2k8r n ASN 11 Ca 0.51 -2.75 0.00 0.00 0.45 0.00 0.00 54.58 52.79 2k8r n ASN 11 Cb 0.27 -0.39 0.00 0.00 1.23 0.00 0.00 39.78 40.88 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 -0.20 -0.92 7.00 8.20 0.00 -1.26 -4.90 105.19 113.12 2k8r n GLY 12 Ca 0.12 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 0.81 -1.13 3.27 -0.02 0.00 -1.26 -4.89 105.19 101.97 2k8r n GLY 13 Ca 0.00 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 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 1.94 -0.14 1.61 3.76 -1.26 -4.96 115.29 116.23 2k8r s HIS 14 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2k8r s HIS 14 Cb 0.00 -1.17 0.02 0.00 1.11 0.00 0.00 32.58 32.54 2k8r s HIS 14 CO 0.00 0.08 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.78 2k8r s PHE 15 N -0.76 2.08 0.00 1.40 0.40 -1.14 0.51 117.98 120.47 2k8r s PHE 15 Ca 0.08 -1.14 0.00 0.00 -0.60 0.00 0.00 56.93 55.28 2k8r s PHE 15 Cb -0.09 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 41.90 2k8r s PHE 15 CO 0.01 -0.63 0.00 1.47 0.70 0.00 0.00 175.22 176.77 2k8r n LEU 16 N 4.71 0.00 -3.74 -0.37 -0.00 -1.23 -4.12 117.00 112.25 2k8r n LEU 16 Ca -0.17 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.71 2k8r n LEU 16 Cb 0.50 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.84 2k8r n LEU 16 CO 0.21 0.00 0.06 -0.60 -0.00 0.00 0.00 177.39 177.06 2k8r s ARG 17 N 0.00 0.67 -0.08 1.47 3.52 -1.18 -3.85 118.95 119.50 2k8r s ARG 17 Ca 0.00 -0.07 -0.06 0.00 -0.13 0.00 0.00 55.73 55.47 2k8r s ARG 17 Cb 0.00 0.30 0.03 0.00 -1.56 0.00 0.00 34.95 33.72 2k8r s ARG 17 CO 0.00 -0.18 0.19 -1.50 -0.81 0.00 0.00 175.30 173.01 2k8r s ILE 18 N -1.12 -0.01 -0.18 4.11 1.10 -1.26 -2.09 121.20 121.75 2k8r s ILE 18 Ca -0.12 0.05 -0.08 0.00 -0.51 0.00 0.00 60.65 60.00 2k8r s ILE 18 Cb -0.05 -0.29 -0.04 0.00 0.15 0.00 0.00 42.46 42.24 2k8r s ILE 18 CO 0.04 0.02 0.08 -0.76 -2.11 0.00 0.00 174.94 172.21 2k8r s LEU 19 N 0.46 3.93 0.31 8.50 2.01 0.44 -4.80 118.68 129.53 2k8r s LEU 19 Ca -0.03 0.14 0.07 0.00 0.01 0.00 0.00 54.13 54.33 2k8r s LEU 19 Cb -0.04 -1.99 0.88 0.00 0.01 0.00 0.00 46.19 45.04 2k8r s LEU 19 CO -0.02 0.20 1.64 -0.65 1.01 0.00 0.00 176.35 178.53 2k8r h PRO 20 N 6.48 0.21 -0.81 1.29 0.11 -1.91 0.41 132.00 137.79 2k8r h PRO 20 Ca -0.40 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 65.93 2k8r h PRO 20 Cb 1.17 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2k8r h PRO 20 CO 0.70 0.14 0.68 -0.44 -0.21 0.00 0.00 178.00 178.87 2k8r h ASP 21 N 0.22 0.00 0.00 -2.05 5.19 -1.96 -3.32 116.42 114.50 2k8r h ASP 21 Ca 0.63 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.04 2k8r h ASP 21 Cb 1.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.88 2k8r h ASP 21 CO -0.67 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.06 2k8r n GLY 22 N -1.65 0.46 3.49 2.75 0.00 0.14 -4.88 105.19 105.49 2k8r n GLY 22 Ca 0.17 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.30 0.01 0.11 2.61 2.01 -0.93 -4.77 115.64 114.39 2k8r s THR 23 Ca 0.00 -0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.05 2k8r s THR 23 Cb 0.00 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 2k8r s THR 23 CO 0.00 -0.03 -0.25 0.54 -0.69 0.00 0.00 174.62 174.19 2k8r s VAL 24 N -0.31 2.36 0.20 3.82 0.11 -1.26 0.17 120.40 125.48 2k8r s VAL 24 Ca -0.05 -1.64 -0.07 0.00 -2.93 0.00 0.00 61.98 57.29 2k8r s VAL 24 Cb -0.03 -2.03 0.03 0.00 -1.53 0.00 0.00 36.38 32.81 2k8r s VAL 24 CO 0.04 0.14 0.40 -0.90 -3.33 0.00 0.00 175.10 171.45 2k8r n ASP 25 N 1.05 -1.14 -4.78 3.54 5.75 -0.89 -4.24 116.55 115.84 2k8r n ASP 25 Ca -0.17 -1.79 -0.34 0.00 -0.01 0.00 0.00 54.79 52.48 2k8r n ASP 25 Cb 0.53 1.90 0.00 0.00 -1.03 0.00 0.00 41.12 42.52 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 -2.04 2.50 -0.22 6.12 0.00 -1.21 -3.13 107.32 109.34 2k8r s GLY 26 Ca 0.08 0.72 -0.34 0.00 0.00 0.00 0.00 44.72 45.18 2k8r s GLY 26 CO 0.06 1.07 1.25 -1.59 0.00 0.00 0.00 173.10 173.88 2k8r s THR 27 N -1.94 0.00 -0.08 0.90 2.01 0.18 -4.73 115.64 111.98 2k8r s THR 27 Ca 0.70 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.72 2k8r s THR 27 Cb -0.22 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.31 2k8r s THR 27 CO 0.29 0.00 -0.14 0.00 -0.69 0.00 0.00 174.62 174.08 2k8r s ARG 28 N -1.89 1.94 0.25 4.92 1.70 -1.26 -2.89 118.95 121.72 2k8r s ARG 28 Ca 0.08 -0.48 -0.09 0.00 -0.47 0.00 0.00 55.73 54.77 2k8r s ARG 28 Cb -0.01 -1.62 0.04 0.00 -0.57 0.00 0.00 34.95 32.79 2k8r s ARG 28 CO -0.05 -0.01 0.50 -3.47 -1.08 0.00 0.00 175.30 171.20 2k8r n ASP 29 N 3.98 -1.46 -4.27 -2.89 -0.08 -1.26 -5.10 116.55 105.46 2k8r n ASP 29 Ca -0.21 -2.04 -0.44 0.00 -1.51 0.00 0.00 54.79 50.60 2k8r n ASP 29 Cb 0.52 2.44 -0.03 0.00 2.34 0.00 0.00 41.12 46.38 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 -2.08 3.52 -1.44 -0.67 6.06 -1.26 -4.63 118.95 118.45 2k8r s ARG 30 Ca 0.11 -2.71 -0.09 0.00 -2.50 0.00 0.00 55.73 50.53 2k8r s ARG 30 Cb -0.03 -4.29 0.05 0.00 0.06 0.00 0.00 34.95 30.74 2k8r s ARG 30 CO 0.08 -1.26 0.96 0.43 -2.50 0.00 0.00 175.30 173.01 2k8r n SER 31 N 3.46 -4.15 -3.77 -2.12 7.64 -1.26 -4.98 113.62 108.44 2k8r n SER 31 Ca 0.16 -0.74 -0.13 0.00 1.01 0.00 0.00 58.87 59.17 2k8r n SER 31 Cb 0.43 -4.16 -0.13 0.00 -1.01 0.00 0.00 64.21 59.33 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 -3.59 -0.18 0.00 6.43 1.01 -1.26 -4.06 116.67 115.02 2k8r s ASP 32 Ca 0.48 0.38 0.00 0.00 0.71 0.00 0.00 52.55 54.12 2k8r s ASP 32 Cb -0.23 0.32 0.00 0.00 1.01 0.00 0.00 42.92 44.02 2k8r s ASP 32 CO 0.81 -0.11 0.00 1.67 0.21 0.00 0.00 175.17 177.74 2k8r n GLN 33 N 3.64 0.00 0.01 8.23 7.27 -1.26 -4.58 117.38 130.69 2k8r n GLN 33 Ca -0.20 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 56.82 2k8r n GLN 33 Cb 0.55 0.00 0.16 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 0.57 0.00 3.69 2.76 -1.87 -3.43 115.15 116.86 2k8r h HIS 34 Ca 0.00 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 2k8r h HIS 34 Cb 0.00 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.83 2k8r h HIS 34 CO 0.00 0.76 0.00 -0.89 -1.30 0.00 0.00 177.93 176.50 2k8r n ILE 35 N -4.07 0.00 -3.62 6.26 5.41 -1.26 -5.04 119.36 117.04 2k8r n ILE 35 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 2k8r n ILE 35 Cb 0.46 -0.26 -0.06 0.00 -0.71 0.00 0.00 39.64 39.07 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 0.34 -0.14 0.38 0.74 -1.26 -4.85 119.66 112.87 2k8r s GLN 36 Ca 0.00 0.62 -0.04 0.00 0.05 0.00 0.00 55.36 56.00 2k8r s GLN 36 Cb 0.00 0.11 -0.03 0.00 1.10 0.00 0.00 33.01 34.19 2k8r s GLN 36 CO 0.00 -0.08 -0.02 -1.17 -0.55 0.00 0.00 175.29 173.47 2k8r s LEU 37 N 1.45 3.38 0.05 3.68 0.20 -1.23 0.20 118.68 126.41 2k8r s LEU 37 Ca -0.08 -0.04 0.09 0.00 0.69 0.00 0.00 54.13 54.79 2k8r s LEU 37 Cb -0.04 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.89 2k8r s LEU 37 CO -0.15 0.22 -0.26 -1.10 -0.29 0.00 0.00 176.35 174.78 2k8r s GLN 38 N 0.05 1.74 -0.24 1.98 -0.21 0.33 0.13 119.66 123.44 2k8r s GLN 38 Ca 0.01 -1.10 -0.03 0.00 0.02 0.00 0.00 55.36 54.26 2k8r s GLN 38 Cb -0.13 -1.92 0.13 0.00 1.00 0.00 0.00 33.01 32.09 2k8r s GLN 38 CO 0.02 0.49 0.38 -1.17 -2.12 0.00 0.00 175.29 172.89 2k8r s LEU 39 N -1.27 -0.63 0.00 2.90 0.20 -1.26 0.15 118.68 118.77 2k8r s LEU 39 Ca 0.11 0.20 0.00 0.00 0.69 0.00 0.00 54.13 55.14 2k8r s LEU 39 Cb -0.10 1.11 0.00 0.00 -0.43 0.00 0.00 46.19 46.77 2k8r s LEU 39 CO 0.02 -0.30 0.00 -1.20 -0.29 0.00 0.00 176.35 174.58 2k8r n SER 40 N 5.36 0.00 -1.81 3.68 7.64 -0.83 -4.34 113.62 123.32 2k8r n SER 40 Ca -0.04 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.81 2k8r n SER 40 Cb 0.50 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.72 2k8r n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8r n ALA 41 N 0.00 -0.83 -3.52 -0.43 0.00 -1.26 -3.88 120.51 110.58 2k8r n ALA 41 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 2k8r n ALA 41 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 -3.52 2.15 0.50 0.00 0.41 -1.26 -4.72 118.70 112.26 2k8r s GLU 42 Ca 0.08 -1.55 -0.07 0.00 -0.41 0.00 0.00 54.97 53.02 2k8r s GLU 42 Cb -0.01 0.57 0.11 0.00 -1.78 0.00 0.00 34.13 33.02 2k8r s GLU 42 CO 0.16 -0.97 0.68 -1.13 -0.49 0.00 0.00 175.26 173.50 2k8r n SER 43 N -1.44 0.25 -4.57 -0.19 3.41 -1.25 -4.91 113.62 104.92 2k8r n SER 43 Ca -0.05 -1.36 -0.46 0.00 -0.26 0.00 0.00 58.87 56.73 2k8r n SER 43 Cb 0.60 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 2k8r n SER 43 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2k8r n VAL 44 N -2.77 0.36 0.00 -3.33 3.14 -1.26 -2.15 118.33 112.32 2k8r n VAL 44 Ca 0.09 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 2k8r n VAL 44 Cb 0.32 -2.16 0.00 0.00 -1.06 0.00 0.00 33.84 30.94 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 5.72 2.62 3.74 7.55 0.00 -1.26 -5.01 105.19 118.55 2k8r n GLY 45 Ca 0.32 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 4.25 -0.01 1.61 2.02 -0.91 0.84 118.70 126.49 2k8r s GLU 46 Ca 0.00 2.34 -0.00 0.00 0.02 0.00 0.00 54.97 57.32 2k8r s GLU 46 Cb 0.00 -3.10 0.02 0.00 0.10 0.00 0.00 34.13 31.14 2k8r s GLU 46 CO 0.00 -0.46 0.03 0.14 0.02 0.00 0.00 175.26 174.99 2k8r s VAL 47 N 0.06 -0.03 -0.32 2.63 -7.23 0.22 -3.90 120.40 111.83 2k8r s VAL 47 Ca 0.60 0.11 -0.11 0.00 -1.81 0.00 0.00 61.98 60.77 2k8r s VAL 47 Cb -0.43 -0.06 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 2k8r s VAL 47 CO 0.43 0.04 0.20 -0.47 -0.31 0.00 0.00 175.10 174.99 2k8r s TYR 48 N 0.55 3.21 -0.11 2.82 5.04 -1.25 -2.64 117.35 124.96 2k8r s TYR 48 Ca -0.05 -0.25 -0.13 0.00 -2.44 0.00 0.00 57.07 54.20 2k8r s TYR 48 Cb -0.07 -2.41 -0.05 0.00 0.35 0.00 0.00 41.96 39.78 2k8r s TYR 48 CO -0.02 -0.35 0.30 0.42 -1.34 0.00 0.00 175.55 174.57 2k8r s ILE 49 N 1.70 5.27 -0.08 3.14 1.01 -1.26 -1.96 121.20 129.01 2k8r s ILE 49 Ca 0.06 0.58 -0.01 0.00 0.00 0.00 0.00 60.65 61.28 2k8r s ILE 49 Cb -0.17 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.71 2k8r s ILE 49 CO 0.09 0.47 -0.03 -0.75 0.00 0.00 0.00 174.94 174.73 2k8r s LYS 50 N -0.16 0.91 -0.29 2.79 2.47 0.40 -4.09 119.74 121.76 2k8r s LYS 50 Ca 0.18 -0.03 -0.13 0.00 -1.56 0.00 0.00 55.97 54.44 2k8r s LYS 50 Cb -0.14 -1.14 -0.04 0.00 -1.46 0.00 0.00 37.83 35.05 2k8r s LYS 50 CO 0.06 -0.27 0.28 -1.12 0.16 0.00 0.00 175.35 174.47 2k8r s SER 51 N 1.77 6.13 0.07 1.43 0.01 -1.26 0.12 113.70 121.97 2k8r s SER 51 Ca 0.03 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2k8r s SER 51 Cb -0.13 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2k8r s SER 51 CO -0.05 -0.16 0.00 0.41 0.41 0.00 0.00 173.24 173.85 2k8r n THR 52 N 5.11 -3.94 -0.28 1.44 -1.04 0.55 -1.90 114.28 114.22 2k8r n THR 52 Ca -0.11 0.79 0.08 0.00 -2.04 0.00 0.00 64.05 62.77 2k8r n THR 52 Cb 0.51 -2.44 0.17 0.00 -1.82 0.00 0.00 70.33 66.75 2k8r n THR 52 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k8r n GLU 53 N 0.22 -0.07 -3.30 -2.82 4.07 -1.25 -3.75 120.64 113.74 2k8r n GLU 53 Ca 0.00 1.19 -0.09 0.00 -0.06 0.00 0.00 57.16 58.20 2k8r n GLU 53 Cb 0.00 -1.83 -0.06 0.00 -0.06 0.00 0.00 31.44 29.49 2k8r n GLU 53 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2k8r s THR 54 N -5.85 -0.63 0.00 6.31 -4.23 -1.26 -4.97 115.64 105.01 2k8r s THR 54 Ca -0.11 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 2k8r s THR 54 Cb 0.22 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 73.12 2k8r s THR 54 CO 0.61 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 2k8r n GLY 55 N 5.26 0.98 3.50 3.99 0.00 -1.25 -5.16 105.19 112.51 2k8r n GLY 55 Ca 0.02 -0.08 -0.25 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 0.00 1.73 -0.24 1.61 -1.52 -0.80 -4.47 119.66 115.97 2k8r s GLN 56 Ca 0.00 -1.85 -0.04 0.00 -1.95 0.00 0.00 55.36 51.51 2k8r s GLN 56 Cb 0.00 -1.66 0.08 0.00 -0.22 0.00 0.00 33.01 31.21 2k8r s GLN 56 CO 0.00 0.20 0.12 -0.47 -0.25 0.00 0.00 175.29 174.88 2k8r s TYR 57 N -2.62 0.25 -0.28 0.91 6.14 0.42 -4.05 117.35 118.13 2k8r s TYR 57 Ca 0.31 -0.62 -0.28 0.00 0.64 0.00 0.00 57.07 57.12 2k8r s TYR 57 Cb -0.00 -0.80 -0.03 0.00 0.42 0.00 0.00 41.96 41.54 2k8r s TYR 57 CO 0.15 -0.69 2.00 -1.17 0.64 0.00 0.00 175.55 176.48 2k8r s LEU 58 N 2.12 3.47 -0.03 6.97 1.98 -1.26 -3.26 118.68 128.67 2k8r s LEU 58 Ca 0.06 1.58 0.01 0.00 -2.89 0.00 0.00 54.13 52.89 2k8r s LEU 58 Cb -0.16 -3.52 0.02 0.00 0.66 0.00 0.00 46.19 43.19 2k8r s LEU 58 CO -0.25 -1.83 -0.03 0.00 -1.89 0.00 0.00 176.35 172.35 2k8r s ALA 59 N 7.56 0.51 0.35 5.97 0.00 0.28 -4.58 121.76 131.85 2k8r s ALA 59 Ca 0.90 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 52.74 2k8r s ALA 59 Cb -0.27 -0.31 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 2k8r s ALA 59 CO 0.34 0.01 0.69 0.00 0.00 0.00 0.00 175.76 176.80 2k8r s MET 60 N 0.69 3.75 -0.04 0.00 0.23 -1.26 0.23 119.30 122.91 2k8r s MET 60 Ca -0.08 0.33 -0.16 0.00 -1.03 0.00 0.00 55.69 54.75 2k8r s MET 60 Cb -0.11 -2.48 -0.05 0.00 -1.53 0.00 0.00 34.83 30.65 2k8r s MET 60 CO -0.00 0.07 0.43 0.34 -2.03 0.00 0.00 175.02 173.83 2k8r s ASP 61 N -3.05 6.77 0.29 -1.18 2.15 0.36 -4.88 116.67 117.14 2k8r s ASP 61 Ca 0.49 0.92 0.02 0.00 0.43 0.00 0.00 52.55 54.41 2k8r s ASP 61 Cb -0.10 -2.26 0.58 0.00 -0.30 0.00 0.00 42.92 40.83 2k8r s ASP 61 CO 0.29 0.22 1.85 0.00 -0.17 0.00 0.00 175.17 177.36 2k8r h THR 62 N 4.03 0.93 0.00 1.71 1.03 -1.98 -3.23 112.91 115.41 2k8r h THR 62 Ca -0.48 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 65.59 2k8r h THR 62 Cb 1.20 -0.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.16 2k8r h THR 62 CO 0.66 0.18 0.00 -0.67 -0.01 0.00 0.00 175.52 175.68 2k8r n ASP 63 N -4.59 0.00 -0.35 0.00 2.03 -1.26 -4.90 116.55 107.47 2k8r n ASP 63 Ca 0.18 0.78 -0.01 0.00 0.52 0.00 0.00 54.79 56.26 2k8r n ASP 63 Cb 0.34 -0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 40.28 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 0.10 0.17 3.80 0.27 0.00 -1.22 -4.16 105.19 104.14 2k8r n GLY 64 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2k8r n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k8r s LEU 65 N 0.00 2.26 -0.05 0.99 2.01 -1.25 -2.27 118.68 120.37 2k8r s LEU 65 Ca 0.00 -1.65 -0.10 0.00 0.01 0.00 0.00 54.13 52.39 2k8r s LEU 65 Cb 0.00 -0.75 0.02 0.00 0.01 0.00 0.00 46.19 45.47 2k8r s LEU 65 CO 0.00 -0.93 0.24 -0.76 1.01 0.00 0.00 176.35 175.90 2k8r s LEU 66 N -3.94 1.13 0.21 1.79 1.02 -1.26 0.14 118.68 117.77 2k8r s LEU 66 Ca 0.05 0.19 -0.11 0.00 0.02 0.00 0.00 54.13 54.28 2k8r s LEU 66 Cb 0.00 0.92 -0.01 0.00 0.02 0.00 0.00 46.19 47.13 2k8r s LEU 66 CO 0.03 -0.27 0.39 -0.72 0.02 0.00 0.00 176.35 175.80 2k8r s TYR 67 N -0.70 0.43 -0.13 0.29 1.13 0.14 -4.55 117.35 113.95 2k8r s TYR 67 Ca -0.08 -0.77 0.08 0.00 -1.41 0.00 0.00 57.07 54.89 2k8r s TYR 67 Cb -0.04 0.05 0.15 0.00 -1.10 0.00 0.00 41.96 41.02 2k8r s TYR 67 CO 0.02 -0.87 1.09 0.41 -2.51 0.00 0.00 175.55 173.69 2k8r n GLY 68 N -0.32 3.65 3.71 5.49 0.00 -1.25 0.10 105.19 116.57 2k8r n GLY 68 Ca -0.03 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2k8r n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k8r s SER 69 N -1.66 6.45 -0.47 1.61 0.01 -1.20 0.16 113.70 118.60 2k8r s SER 69 Ca 0.15 2.76 -0.31 0.00 1.31 0.00 0.00 55.95 59.86 2k8r s SER 69 Cb 0.12 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 63.66 2k8r s SER 69 CO 0.03 -0.94 2.34 1.67 0.41 0.00 0.00 173.24 176.75 2k8r n GLN 70 N 4.45 1.04 -3.15 12.44 0.00 -1.26 -4.21 117.38 126.70 2k8r n GLN 70 Ca 0.16 0.19 0.05 0.00 -0.00 0.00 0.00 57.00 57.40 2k8r n GLN 70 Cb 0.37 -2.74 -0.00 0.00 0.00 0.00 0.00 30.24 27.87 2k8r n GLN 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2k8r s THR 71 N 9.22 -0.73 0.25 1.69 2.01 -1.26 -4.96 115.64 121.86 2k8r s THR 71 Ca 1.09 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 62.78 2k8r s THR 71 Cb -0.63 -0.77 -0.11 0.00 0.01 0.00 0.00 72.50 71.01 2k8r s THR 71 CO 0.40 0.00 1.57 -2.16 -0.69 0.00 0.00 174.62 173.74 2k8r s PRO 72 N 2.88 4.17 -0.20 4.92 0.04 -1.26 -4.94 135.00 140.61 2k8r s PRO 72 Ca 0.16 2.49 -0.33 0.00 0.04 0.00 0.00 61.00 63.35 2k8r s PRO 72 Cb -0.08 -3.07 0.15 0.00 0.04 0.00 0.00 34.50 31.54 2k8r s PRO 72 CO -0.24 -0.60 1.20 1.21 0.04 0.00 0.00 177.00 178.61 2k8r s ASN 73 N 0.67 -0.16 0.54 6.66 3.84 -1.26 -5.02 114.94 120.21 2k8r s ASN 73 Ca 0.65 0.06 0.24 0.00 0.21 0.00 0.00 52.86 54.02 2k8r s ASN 73 Cb -0.46 0.15 1.49 0.00 -0.55 0.00 0.00 41.25 41.88 2k8r s ASN 73 CO 0.42 -0.22 2.15 -0.33 -2.79 0.00 0.00 177.10 176.33 2k8r h GLU 74 N 2.09 0.00 0.00 0.43 5.08 -2.01 -2.32 114.58 117.85 2k8r h GLU 74 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2k8r h GLU 74 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2k8r h GLU 74 CO 0.24 0.06 0.21 0.39 -1.00 0.00 0.00 179.01 178.91 2k8r n GLU 75 N -4.01 0.10 0.00 2.33 -0.58 -1.26 -0.26 120.64 116.96 2k8r n GLU 75 Ca -0.03 0.58 0.13 0.00 -0.42 0.00 0.00 57.16 57.42 2k8r n GLU 75 Cb 0.15 -2.04 0.62 0.00 -0.57 0.00 0.00 31.44 29.60 2k8r n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k8r s LEU 77 N -2.71 3.59 0.31 0.00 2.01 0.63 -4.37 118.68 118.15 2k8r s LEU 77 Ca 0.21 0.44 0.10 0.00 0.01 0.00 0.00 54.13 54.89 2k8r s LEU 77 Cb 0.17 -3.48 -0.06 0.00 0.01 0.00 0.00 46.19 42.83 2k8r s LEU 77 CO 0.42 -1.32 -0.14 -0.36 1.01 0.00 0.00 176.35 175.96 2k8r s PHE 78 N 4.67 2.30 -0.19 0.29 0.08 -1.08 -1.72 117.98 122.32 2k8r s PHE 78 Ca 0.49 -0.44 -0.02 0.00 0.12 0.00 0.00 56.93 57.07 2k8r s PHE 78 Cb -0.08 -1.17 -0.00 0.00 -0.57 0.00 0.00 43.02 41.20 2k8r s PHE 78 CO 0.31 0.61 -0.10 -1.17 -0.10 0.00 0.00 175.22 174.77 2k8r s LEU 79 N -3.54 2.66 -0.32 -0.37 1.98 0.11 0.69 118.68 119.89 2k8r s LEU 79 Ca 0.31 -0.45 -0.11 0.00 -2.89 0.00 0.00 54.13 50.98 2k8r s LEU 79 Cb -0.01 -1.65 -0.02 0.00 0.66 0.00 0.00 46.19 45.18 2k8r s LEU 79 CO 0.15 0.02 0.20 -0.70 -1.89 0.00 0.00 176.35 174.13 2k8r s GLU 80 N 1.24 3.46 -0.38 1.98 2.12 0.25 -1.17 118.70 126.21 2k8r s GLU 80 Ca 0.03 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.67 2k8r s GLU 80 Cb -0.14 -3.70 0.08 0.00 0.26 0.00 0.00 34.13 30.63 2k8r s GLU 80 CO -0.04 -0.42 0.15 0.50 -0.54 0.00 0.00 175.26 174.91 2k8r s ARG 81 N 1.68 2.27 -0.38 4.30 3.52 0.18 -4.59 118.95 125.93 2k8r s ARG 81 Ca 0.06 -1.56 -0.14 0.00 -0.13 0.00 0.00 55.73 53.96 2k8r s ARG 81 Cb -0.17 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.73 2k8r s ARG 81 CO 0.09 -0.90 0.27 -1.17 -0.81 0.00 0.00 175.30 172.78 2k8r s LEU 82 N 1.24 4.85 0.47 -0.88 2.96 -1.26 0.16 118.68 126.22 2k8r s LEU 82 Ca 0.03 -0.73 0.26 0.00 -0.22 0.00 0.00 54.13 53.47 2k8r s LEU 82 Cb -0.22 -2.14 0.67 0.00 0.50 0.00 0.00 46.19 45.00 2k8r s LEU 82 CO -0.02 -0.36 1.73 -0.08 -1.32 0.00 0.00 176.35 176.30 2k8r h GLU 83 N 8.56 0.00 0.00 1.98 4.81 -1.90 -3.47 114.58 124.56 2k8r h GLU 83 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2k8r h GLU 83 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2k8r h GLU 83 CO 0.69 0.01 0.00 -1.91 -0.73 0.00 0.00 179.01 177.07 2k8r n GLU 84 N -3.10 0.00 -0.80 1.92 2.13 -1.21 -4.91 120.64 114.67 2k8r n GLU 84 Ca 0.03 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.56 2k8r n GLU 84 Cb 0.46 -0.15 -0.04 0.00 0.27 0.00 0.00 31.44 31.98 2k8r n GLU 84 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2k8r n ASN 85 N 0.46 3.22 -3.00 4.31 5.15 -1.26 -4.36 115.26 119.78 2k8r n ASN 85 Ca 0.00 -2.43 -0.15 0.00 -0.60 0.00 0.00 54.58 51.39 2k8r n ASN 85 Cb 0.00 -1.00 -0.01 0.00 -0.53 0.00 0.00 39.78 38.24 2k8r n ASN 85 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k8r n HIS 86 N 5.84 -1.70 -3.54 1.20 1.44 -1.26 -4.87 115.22 112.33 2k8r n HIS 86 Ca 0.42 0.23 -0.08 0.00 -2.01 0.00 0.00 57.72 56.28 2k8r n HIS 86 Cb 0.24 -2.16 -0.02 0.00 0.12 0.00 0.00 29.99 28.16 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 -2.59 -0.29 0.17 -1.40 -0.85 -1.26 -4.69 117.35 106.43 2k8r s TYR 87 Ca 0.22 0.23 -0.04 0.00 -0.52 0.00 0.00 57.07 56.97 2k8r s TYR 87 Cb -0.12 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 2k8r s TYR 87 CO 0.28 -0.42 0.17 0.54 -1.52 0.00 0.00 175.55 174.60 2k8r s ASN 88 N -2.18 0.16 -0.07 -0.18 2.20 0.89 -2.81 114.94 112.96 2k8r s ASN 88 Ca 0.05 -1.14 0.02 0.00 -0.94 0.00 0.00 52.86 50.86 2k8r s ASN 88 Cb -0.01 0.38 0.01 0.00 -2.00 0.00 0.00 41.25 39.63 2k8r s ASN 88 CO -0.06 -0.83 -0.14 0.42 -2.94 0.00 0.00 177.10 173.54 2k8r s THR 89 N -4.05 1.30 -0.14 0.54 -4.23 0.42 -3.65 115.64 105.82 2k8r s THR 89 Ca 0.26 -0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 60.16 2k8r s THR 89 Cb 0.06 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.69 2k8r s THR 89 CO 0.04 0.39 -0.02 -0.31 -0.54 0.00 0.00 174.62 174.18 2k8r s TYR 90 N 0.64 3.07 0.04 3.99 2.02 -1.26 0.47 117.35 126.32 2k8r s TYR 90 Ca -0.15 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 2k8r s TYR 90 Cb -0.16 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 2k8r s TYR 90 CO 0.04 0.10 -0.09 0.96 -1.57 0.00 0.00 175.55 175.00 2k8r s ILE 91 N 0.07 0.62 -0.00 2.71 -4.36 -0.31 -4.06 121.20 115.86 2k8r s ILE 91 Ca 0.01 -1.08 -0.30 0.00 -0.26 0.00 0.00 60.65 59.02 2k8r s ILE 91 Cb -0.13 -0.66 -0.07 0.00 1.25 0.00 0.00 42.46 42.84 2k8r s ILE 91 CO 0.02 -0.34 1.70 -0.44 0.24 0.00 0.00 174.94 176.12 2k8r s SER 92 N -1.55 6.62 -0.06 4.36 0.01 -1.26 0.10 113.70 121.91 2k8r s SER 92 Ca -0.08 2.37 -0.09 0.00 1.31 0.00 0.00 55.95 59.45 2k8r s SER 92 Cb -0.10 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2k8r s SER 92 CO 0.01 -0.93 0.38 0.50 0.41 0.00 0.00 173.24 173.61 2k8r h LYS 93 N 9.34 -0.29 -0.31 12.44 3.11 -1.61 -3.21 116.57 136.04 2k8r h LYS 93 Ca -0.42 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 2k8r h LYS 93 Cb 1.19 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.47 2k8r h LYS 93 CO 0.94 -0.16 0.20 -0.22 -2.81 0.00 0.00 179.45 177.40 2k8r h LYS 94 N -1.07 0.41 -1.16 1.90 3.64 -1.86 -1.97 116.57 116.47 2k8r h LYS 94 Ca -0.03 -0.03 -0.41 0.00 -1.27 0.00 0.00 60.65 58.91 2k8r h LYS 94 Cb 0.26 -0.09 -0.20 0.00 -0.41 0.00 0.00 32.23 31.78 2k8r h LYS 94 CO 0.05 0.28 0.52 0.72 -2.27 0.00 0.00 179.45 178.76 2k8r n HIS 95 N -4.48 2.15 -0.35 1.91 8.25 -1.25 -4.60 115.22 116.85 2k8r n HIS 95 Ca 0.02 -1.89 0.23 0.00 -0.26 0.00 0.00 57.72 55.82 2k8r n HIS 95 Cb 0.07 -0.94 0.49 0.00 1.12 0.00 0.00 29.99 30.74 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 1.50 2.14 -0.37 -1.41 0.00 -1.35 0.71 119.26 120.48 2k8r h ALA 96 Ca 0.43 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.55 2k8r h ALA 96 Cb 1.59 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2k8r h ALA 96 CO 0.92 -0.63 0.28 0.93 0.00 0.00 0.00 179.25 180.75 2k8r h GLU 97 N 0.39 0.00 -1.19 0.00 4.39 -1.87 -3.06 114.58 113.24 2k8r h GLU 97 Ca 0.66 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.98 2k8r h GLU 97 Cb 1.60 0.00 -0.37 0.00 -0.10 0.00 0.00 28.75 29.88 2k8r h GLU 97 CO -0.41 0.00 -1.10 1.63 -1.16 0.00 0.00 179.01 177.98 2k8r n LYS 98 N -4.30 1.09 -2.19 2.33 5.02 0.23 -5.11 118.16 115.23 2k8r n LYS 98 Ca 0.06 -3.12 -0.41 0.00 -2.02 0.00 0.00 58.31 52.82 2k8r n LYS 98 Cb 0.46 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 2k8r n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k8r s ASN 99 N -2.66 6.88 0.06 4.39 4.22 -0.27 -4.96 114.94 122.59 2k8r s ASN 99 Ca 0.30 2.49 -0.00 0.00 -2.14 0.00 0.00 52.86 53.51 2k8r s ASN 99 Cb 0.41 -2.62 -0.04 0.00 1.28 0.00 0.00 41.25 40.28 2k8r s ASN 99 CO -0.01 -0.51 -0.04 0.26 -2.04 0.00 0.00 177.10 174.76 2k8r s TRP 100 N -0.33 0.62 0.03 1.54 0.52 -1.26 -4.95 118.94 115.11 2k8r s TRP 100 Ca 0.54 -0.99 -0.29 0.00 0.02 0.00 0.00 56.10 55.38 2k8r s TRP 100 Cb -0.37 -0.42 -0.04 0.00 -1.15 0.00 0.00 33.47 31.49 2k8r s TRP 100 CO 0.43 -0.30 0.93 -0.06 0.02 0.00 0.00 176.95 177.97 2k8r s PHE 101 N -3.69 3.70 0.00 -1.98 0.08 -1.26 -4.30 117.98 110.53 2k8r s PHE 101 Ca 0.07 1.67 0.00 0.00 0.12 0.00 0.00 56.93 58.79 2k8r s PHE 101 Cb 0.06 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 2k8r s PHE 101 CO -0.08 0.08 0.00 1.33 -0.10 0.00 0.00 175.22 176.45 2k8r n VAL 102 N 3.49 0.00 0.00 -0.44 0.24 -1.26 -4.50 118.33 115.87 2k8r n VAL 102 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2k8r n VAL 102 Cb 0.50 -1.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.42 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 3.63 3.98 3.38 7.63 0.00 -1.25 -4.52 105.19 118.04 2k8r n GLY 103 Ca 0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 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 2.52 -0.01 0.99 2.34 -1.26 0.99 118.68 124.24 2k8r s LEU 104 Ca 0.00 -0.96 0.01 0.00 0.06 0.00 0.00 54.13 53.24 2k8r s LEU 104 Cb 0.00 -0.86 -0.04 0.00 -0.56 0.00 0.00 46.19 44.74 2k8r s LEU 104 CO 0.00 -0.06 -0.01 -0.75 -1.06 0.00 0.00 176.35 174.47 2k8r s LYS 105 N -3.27 2.77 0.44 1.48 2.47 0.16 -4.93 119.74 118.86 2k8r s LYS 105 Ca 0.22 -0.60 0.28 0.00 -1.56 0.00 0.00 55.97 54.31 2k8r s LYS 105 Cb -0.04 -2.66 1.37 0.00 -1.46 0.00 0.00 37.83 35.04 2k8r s LYS 105 CO 0.09 0.63 1.67 1.57 0.16 0.00 0.00 175.35 179.47 2k8r h LYS 106 N 4.48 0.15 0.00 4.03 2.10 -1.90 1.34 116.57 126.76 2k8r h LYS 106 Ca -0.49 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 2k8r h LYS 106 Cb 1.18 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2k8r h LYS 106 CO 0.56 0.10 -0.04 -0.97 -2.00 0.00 0.00 179.45 177.10 2k8r h ASN 107 N 0.15 0.00 0.00 7.07 -0.73 -1.94 -3.19 115.58 116.94 2k8r h ASN 107 Ca 0.75 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.92 2k8r h ASN 107 Cb 2.35 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.94 2k8r h ASN 107 CO -0.35 0.04 0.00 0.61 -0.37 0.00 0.00 177.43 177.36 2k8r n GLY 108 N -1.00 2.24 3.73 1.57 0.00 0.46 -4.96 105.19 107.23 2k8r n GLY 108 Ca -0.02 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2k8r n GLY 108 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k8r n SER 109 N 0.00 3.89 -4.80 1.61 7.64 -1.25 -4.41 113.62 116.30 2k8r n SER 109 Ca 0.00 1.12 -0.23 0.00 1.01 0.00 0.00 58.87 60.76 2k8r n SER 109 Cb 0.00 -1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 61.57 2k8r n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8r s LYS 111 N -3.57 0.42 0.02 0.00 -0.14 0.28 -4.94 119.74 111.81 2k8r s LYS 111 Ca 0.32 -0.80 0.00 0.00 -1.36 0.00 0.00 55.97 54.13 2k8r s LYS 111 Cb -0.09 -1.50 0.00 0.00 -1.68 0.00 0.00 37.83 34.57 2k8r s LYS 111 CO 0.24 -1.02 0.00 -2.13 -0.76 0.00 0.00 175.35 171.68 2k8r n ARG 112 N 5.00 0.00 -0.03 1.68 0.00 -1.08 -3.79 116.66 118.44 2k8r n ARG 112 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.81 2k8r n ARG 112 Cb 0.42 -0.29 -0.00 0.00 0.00 0.00 0.00 32.46 32.59 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 0.00 -0.74 5.14 0.00 -1.61 -3.38 103.07 102.47 2k8r h GLY 113 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 2k8r h GLY 113 CO 0.00 0.00 -0.28 -1.05 0.00 0.00 0.00 176.54 175.21 2k8r n PRO 114 N -3.43 -0.17 -3.65 4.80 -0.02 -1.26 -4.59 135.00 126.68 2k8r n PRO 114 Ca -0.01 1.15 -0.00 0.00 -2.02 0.00 0.00 63.50 62.61 2k8r n PRO 114 Cb 0.03 -1.70 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 2k8r n PRO 114 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2k8r s ARG 115 N -5.72 0.24 -0.16 -0.52 3.52 -1.26 -5.16 118.95 109.89 2k8r s ARG 115 Ca -0.10 0.42 -0.05 0.00 -0.13 0.00 0.00 55.73 55.87 2k8r s ARG 115 Cb 0.16 0.05 0.08 0.00 -1.56 0.00 0.00 34.95 33.67 2k8r s ARG 115 CO 0.54 -0.05 0.31 -0.08 -0.81 0.00 0.00 175.30 175.21 2k8r s THR 116 N 1.21 -0.49 0.00 4.11 -1.32 -1.26 -4.47 115.64 113.42 2k8r s THR 116 Ca -0.09 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 2k8r s THR 116 Cb -0.03 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.42 2k8r s THR 116 CO -0.13 0.07 0.00 1.41 -2.21 0.00 0.00 174.62 173.76 2k8r n HIS 117 N 5.36 0.00 -2.13 9.09 -0.00 -1.26 -4.75 115.22 121.53 2k8r n HIS 117 Ca -0.07 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.28 2k8r n HIS 117 Cb 0.50 0.00 0.00 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 2.74 0.00 4.41 1.51 -1.26 -4.65 117.35 120.10 2k8r s TYR 118 Ca 0.00 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.55 2k8r s TYR 118 Cb 0.00 -3.50 0.00 0.00 -0.11 0.00 0.00 41.96 38.35 2k8r s TYR 118 CO 0.00 -1.86 0.00 0.41 -1.11 0.00 0.00 175.55 172.99 2k8r n GLY 119 N 0.53 -2.82 0.58 0.71 0.00 -1.26 -4.47 105.19 98.47 2k8r n GLY 119 Ca 0.08 -0.98 0.40 0.00 0.00 0.00 0.00 46.02 45.52 2k8r n GLY 119 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k8r h GLN 120 N 0.00 0.00 -1.33 1.61 4.20 -1.96 0.71 115.11 118.35 2k8r h GLN 120 Ca 0.00 0.00 0.39 0.00 0.06 0.00 0.00 58.65 59.10 2k8r h GLN 120 Cb 0.00 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 2k8r h GLN 120 CO 0.00 0.00 0.93 1.57 -0.67 0.00 0.00 178.83 180.66 2k8r h LYS 121 N 0.00 0.07 0.00 1.46 5.09 -1.89 0.98 116.57 122.29 2k8r h LYS 121 Ca 0.66 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.40 2k8r h LYS 121 Cb 2.71 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 35.02 2k8r h LYS 121 CO -0.01 0.05 0.00 0.00 -2.09 0.00 0.00 179.45 177.40 2k8r h ALA 122 N 1.39 1.00 -0.15 0.07 0.00 -1.07 -3.35 119.26 117.15 2k8r h ALA 122 Ca 0.68 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.39 2k8r h ALA 122 Cb 2.47 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 19.96 2k8r h ALA 122 CO -0.11 0.00 -0.79 -0.89 0.00 0.00 0.00 179.25 177.46 2k8r n ILE 123 N -2.65 0.44 -3.20 0.00 -0.00 0.30 -4.66 119.36 109.59 2k8r n ILE 123 Ca 0.03 -1.50 -0.23 0.00 -0.00 0.00 0.00 62.75 61.05 2k8r n ILE 123 Cb 0.39 1.03 -0.06 0.00 -0.00 0.00 0.00 39.64 41.00 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 -0.37 1.45 -4.44 1.39 7.94 0.12 -4.79 117.00 118.30 2k8r n LEU 124 Ca -0.04 -5.02 -0.34 0.00 -1.11 0.00 0.00 56.01 49.51 2k8r n LEU 124 Cb 0.90 0.30 -0.13 0.00 0.53 0.00 0.00 43.42 45.02 2k8r n LEU 124 CO -0.04 2.16 -0.38 -0.36 -1.11 0.00 0.00 177.39 177.66 2k8r s PHE 125 N -1.99 2.96 -0.31 1.96 0.08 -1.24 -3.22 117.98 116.22 2k8r s PHE 125 Ca 0.39 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.98 2k8r s PHE 125 Cb 0.23 -1.96 0.09 0.00 -0.57 0.00 0.00 43.02 40.81 2k8r s PHE 125 CO -0.09 -0.16 0.05 -1.17 -0.10 0.00 0.00 175.22 173.75 2k8r s LEU 126 N 0.54 3.60 0.00 -0.37 2.96 0.31 -0.08 118.68 125.65 2k8r s LEU 126 Ca -0.04 -1.83 0.07 0.00 -0.22 0.00 0.00 54.13 52.11 2k8r s LEU 126 Cb -0.15 -1.32 0.08 0.00 0.50 0.00 0.00 46.19 45.31 2k8r s LEU 126 CO 0.03 -0.36 0.66 -0.81 -1.32 0.00 0.00 176.35 174.55 2k8r n PRO 127 N 4.51 0.62 -2.88 0.98 -0.04 -1.26 -0.58 135.00 136.35 2k8r n PRO 127 Ca -0.01 -2.49 -0.39 0.00 -0.04 0.00 0.00 63.50 60.57 2k8r n PRO 127 Cb 0.42 -0.23 -0.06 0.00 -0.04 0.00 0.00 33.50 33.59 2k8r n PRO 127 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k8r s LEU 128 N 0.00 4.57 -0.19 1.53 2.96 -1.07 -4.92 118.68 121.56 2k8r s LEU 128 Ca 0.50 1.77 -0.02 0.00 -0.22 0.00 0.00 54.13 56.15 2k8r s LEU 128 Cb -0.04 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 2k8r s LEU 128 CO 0.32 0.15 1.35 -2.65 -1.32 0.00 0.00 176.35 174.19 2k8r n PRO 129 N 1.38 0.67 -3.73 0.98 -0.02 -1.26 -4.65 135.00 128.36 2k8r n PRO 129 Ca -0.03 -0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 60.59 2k8r n PRO 129 Cb 0.48 -1.90 -0.15 0.00 -0.02 0.00 0.00 33.50 31.92 2k8r n PRO 129 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2k8r s VAL 130 N 3.42 0.85 0.32 -1.45 -7.23 -1.26 -5.10 120.40 109.94 2k8r s VAL 130 Ca 0.16 -1.39 -0.08 0.00 -1.81 0.00 0.00 61.98 58.86 2k8r s VAL 130 Cb 0.06 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.36 2k8r s VAL 130 CO -0.01 -0.68 0.52 -0.44 -0.31 0.00 0.00 175.10 174.18 2k8r s SER 131 N 1.62 0.45 -0.93 4.85 0.01 -1.25 -4.72 113.70 113.75 2k8r s SER 131 Ca 0.10 -1.26 -0.18 0.00 1.31 0.00 0.00 55.95 55.92 2k8r s SER 131 Cb -0.17 0.66 0.15 0.00 0.21 0.00 0.00 66.02 66.87 2k8r s SER 131 CO -0.25 -1.30 1.09 -0.44 0.41 0.00 0.00 173.24 172.74 2k8r s SER 132 N -3.14 6.67 0.00 2.44 0.01 -1.26 -4.52 113.70 113.89 2k8r s SER 132 Ca 0.26 -2.18 0.01 0.00 1.31 0.00 0.00 55.95 55.34 2k8r s SER 132 Cb -0.01 -2.37 0.03 0.00 0.21 0.00 0.00 66.02 63.88 2k8r s SER 132 CO 0.15 -0.98 0.53 -0.67 0.41 0.00 0.00 173.24 172.68