#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 3.99 0.06 -3.48 0.00 -1.26 -4.63 119.74 114.42 2k8r s LYS 2 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 55.97 55.44 2k8r s LYS 2 Cb 0.00 -3.60 0.06 0.00 0.00 0.00 0.00 37.83 34.28 2k8r s LYS 2 CO 0.00 -0.08 0.54 0.15 0.00 0.00 0.00 175.35 175.95 2k8r s LYS 3 N 1.47 1.08 -0.40 1.78 1.02 -1.26 -5.11 119.74 118.32 2k8r s LYS 3 Ca 0.07 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 2k8r s LYS 3 Cb -0.15 0.49 -0.09 0.00 -0.52 0.00 0.00 37.83 37.56 2k8r s LYS 3 CO 0.08 -0.40 2.31 -0.35 -0.92 0.00 0.00 175.35 176.07 2k8r n PRO 4 N 0.27 1.26 -4.16 -1.68 -0.04 -1.26 -4.47 135.00 124.92 2k8r n PRO 4 Ca -0.18 0.26 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 2k8r n PRO 4 Cb 0.61 -2.92 -0.08 0.00 -0.04 0.00 0.00 33.50 31.07 2k8r n PRO 4 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2k8r s LYS 5 N 7.10 2.47 0.10 0.54 2.20 0.30 -4.85 119.74 127.60 2k8r s LYS 5 Ca 1.06 -0.95 0.05 0.00 -0.36 0.00 0.00 55.97 55.77 2k8r s LYS 5 Cb -0.53 -2.46 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 2k8r s LYS 5 CO 0.38 0.50 -0.14 -0.48 -0.36 0.00 0.00 175.35 175.26 2k8r s LEU 6 N -2.57 2.35 -0.61 5.43 2.34 -1.26 -3.75 118.68 120.61 2k8r s LEU 6 Ca 0.26 -0.73 -0.04 0.00 0.06 0.00 0.00 54.13 53.69 2k8r s LEU 6 Cb -0.11 -0.51 0.16 0.00 -0.56 0.00 0.00 46.19 45.17 2k8r s LEU 6 CO 0.18 -0.13 0.44 -0.22 -1.06 0.00 0.00 176.35 175.56 2k8r s LEU 7 N -2.14 5.33 -0.11 1.48 2.96 -1.26 -2.24 118.68 122.70 2k8r s LEU 7 Ca 0.04 -2.75 -0.26 0.00 -0.22 0.00 0.00 54.13 50.94 2k8r s LEU 7 Cb -0.07 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2k8r s LEU 7 CO 0.02 -0.40 0.83 -0.47 -1.32 0.00 0.00 176.35 175.01 2k8r s TYR 8 N 0.09 3.50 -0.19 5.38 6.14 0.39 -4.33 117.35 128.33 2k8r s TYR 8 Ca 0.16 1.34 -0.08 0.00 0.64 0.00 0.00 57.07 59.14 2k8r s TYR 8 Cb -0.20 -2.99 -0.04 0.00 0.42 0.00 0.00 41.96 39.15 2k8r s TYR 8 CO -0.04 -0.12 0.07 0.00 0.64 0.00 0.00 175.55 176.10 2k8r n SER 10 N 3.63 3.49 -1.58 0.00 7.64 -1.12 -4.31 113.62 121.36 2k8r n SER 10 Ca -0.16 -2.79 0.01 0.00 1.01 0.00 0.00 58.87 56.93 2k8r n SER 10 Cb 0.52 -1.50 0.01 0.00 -1.01 0.00 0.00 64.21 62.23 2k8r n SER 10 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2k8r n ASN 11 N 7.20 0.45 0.00 6.43 4.05 -1.26 -4.62 115.26 127.51 2k8r n ASN 11 Ca 0.51 -2.01 0.00 0.00 0.45 0.00 0.00 54.58 53.52 2k8r n ASN 11 Cb 0.41 -0.12 0.00 0.00 1.23 0.00 0.00 39.78 41.29 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 0.15 -2.39 6.93 8.20 0.00 -1.26 -4.89 105.19 111.93 2k8r n GLY 12 Ca -0.04 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.70 0.13 3.09 -0.02 0.00 -1.26 -4.91 105.19 101.51 2k8r n GLY 13 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 0.58 -0.05 1.61 3.76 -1.26 -5.01 115.29 114.92 2k8r s HIS 14 Ca 0.00 -0.90 -0.01 0.00 -0.15 0.00 0.00 55.06 54.00 2k8r s HIS 14 Cb 0.00 -0.39 0.03 0.00 1.11 0.00 0.00 32.58 33.33 2k8r s HIS 14 CO 0.00 -0.27 0.02 -0.06 -0.85 0.00 0.00 174.74 173.58 2k8r s PHE 15 N -3.24 0.41 0.00 1.40 0.40 -0.95 0.40 117.98 116.40 2k8r s PHE 15 Ca 0.03 -0.00 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 2k8r s PHE 15 Cb 0.03 -0.61 0.00 0.00 0.51 0.00 0.00 43.02 42.95 2k8r s PHE 15 CO -0.06 -0.23 0.00 1.47 0.70 0.00 0.00 175.22 177.09 2k8r n LEU 16 N 4.90 0.00 -3.96 -0.37 -0.00 -1.19 -3.97 117.00 112.40 2k8r n LEU 16 Ca -0.11 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.68 2k8r n LEU 16 Cb 0.50 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.76 2k8r n LEU 16 CO 0.13 0.00 -0.43 -0.60 -0.00 0.00 0.00 177.39 176.48 2k8r s ARG 17 N 0.00 1.12 -0.07 1.47 3.52 -0.99 -2.54 118.95 121.45 2k8r s ARG 17 Ca 0.00 -0.26 0.03 0.00 -0.13 0.00 0.00 55.73 55.37 2k8r s ARG 17 Cb 0.00 -1.01 0.01 0.00 -1.56 0.00 0.00 34.95 32.38 2k8r s ARG 17 CO 0.00 0.01 -0.16 -1.50 -0.81 0.00 0.00 175.30 172.84 2k8r s ILE 18 N 0.61 1.46 -0.09 4.11 1.10 -1.26 0.48 121.20 127.61 2k8r s ILE 18 Ca -0.10 -0.68 -0.18 0.00 -0.51 0.00 0.00 60.65 59.18 2k8r s ILE 18 Cb -0.13 -1.29 -0.05 0.00 0.15 0.00 0.00 42.46 41.14 2k8r s ILE 18 CO 0.01 0.43 0.50 -0.76 -2.11 0.00 0.00 174.94 173.01 2k8r s LEU 19 N 0.48 4.32 0.35 8.50 2.01 0.38 -4.84 118.68 129.90 2k8r s LEU 19 Ca -0.15 0.90 0.17 0.00 0.01 0.00 0.00 54.13 55.06 2k8r s LEU 19 Cb -0.16 -2.73 1.20 0.00 0.01 0.00 0.00 46.19 44.50 2k8r s LEU 19 CO 0.05 0.05 1.61 1.55 1.01 0.00 0.00 176.35 180.62 2k8r h PRO 20 N 6.33 0.12 -1.01 1.29 0.13 -1.94 0.54 132.00 137.46 2k8r h PRO 20 Ca -0.43 -0.01 0.22 0.00 -0.87 0.00 0.00 66.00 64.92 2k8r h PRO 20 Cb 1.19 -0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 2k8r h PRO 20 CO 0.73 0.08 0.61 -0.44 -0.23 0.00 0.00 178.00 178.76 2k8r h ASP 21 N 0.13 0.68 0.00 1.44 5.19 -1.96 -3.38 116.42 118.52 2k8r h ASP 21 Ca 0.78 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 57.30 2k8r h ASP 21 Cb 1.94 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.45 2k8r h ASP 21 CO -0.71 0.18 0.00 0.61 -3.12 0.00 0.00 179.24 176.19 2k8r n GLY 22 N -1.35 0.32 3.44 2.75 0.00 0.19 -4.59 105.19 105.95 2k8r n GLY 22 Ca 0.25 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -0.01 -0.08 2.61 2.01 -1.06 -4.40 115.64 114.72 2k8r s THR 23 Ca 0.00 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 2k8r s THR 23 Cb 0.00 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 2k8r s THR 23 CO 0.00 0.01 -0.03 0.54 -0.69 0.00 0.00 174.62 174.45 2k8r s VAL 24 N 0.86 4.03 0.04 3.82 0.11 -1.26 0.15 120.40 128.14 2k8r s VAL 24 Ca -0.05 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 2k8r s VAL 24 Cb -0.05 -2.68 -0.00 0.00 -1.53 0.00 0.00 36.38 32.12 2k8r s VAL 24 CO -0.07 0.60 0.05 -0.90 -3.33 0.00 0.00 175.10 171.44 2k8r n ASP 25 N 2.25 -0.13 -4.81 3.54 5.75 0.18 -4.43 116.55 118.89 2k8r n ASP 25 Ca -0.18 -1.24 -0.33 0.00 -0.01 0.00 0.00 54.79 53.03 2k8r n ASP 25 Cb 0.53 0.25 -0.06 0.00 -1.03 0.00 0.00 41.12 40.81 2k8r n ASP 25 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2k8r s GLY 26 N -1.27 2.42 -0.24 6.12 0.00 -1.26 -2.34 107.32 110.76 2k8r s GLY 26 Ca 0.04 0.45 -0.30 0.00 0.00 0.00 0.00 44.72 44.90 2k8r s GLY 26 CO 0.03 0.73 1.23 -1.59 0.00 0.00 0.00 173.10 173.50 2k8r s THR 27 N -2.13 0.00 -0.10 0.90 2.01 0.16 -4.68 115.64 111.80 2k8r s THR 27 Ca 0.63 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 2k8r s THR 27 Cb -0.11 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 2k8r s THR 27 CO 0.15 0.00 0.02 0.00 -0.69 0.00 0.00 174.62 174.10 2k8r s ARG 28 N -1.20 3.14 0.20 4.92 1.70 -1.26 -2.25 118.95 124.21 2k8r s ARG 28 Ca 0.06 -0.37 -0.19 0.00 -0.47 0.00 0.00 55.73 54.75 2k8r s ARG 28 Cb -0.01 -2.88 0.07 0.00 -0.57 0.00 0.00 34.95 31.56 2k8r s ARG 28 CO -0.05 0.66 0.91 -3.47 -1.08 0.00 0.00 175.30 172.27 2k8r n ASP 29 N 2.29 -1.70 -3.98 -2.89 -0.08 -1.26 -5.06 116.55 103.87 2k8r n ASP 29 Ca -0.19 -1.95 -0.42 0.00 -1.51 0.00 0.00 54.79 50.72 2k8r n ASP 29 Cb 0.54 2.77 0.00 0.00 2.34 0.00 0.00 41.12 46.77 2k8r n ASP 29 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2k8r n ARG 30 N -0.64 4.25 -1.32 -0.67 3.00 -1.26 -4.63 116.66 115.39 2k8r n ARG 30 Ca -0.03 -4.56 -0.11 0.00 -0.00 0.00 0.00 57.85 53.15 2k8r n ARG 30 Cb 0.54 -2.49 -0.05 0.00 0.00 0.00 0.00 32.46 30.46 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 1.39 -4.64 -4.31 6.15 7.64 -1.26 -4.99 113.62 113.60 2k8r n SER 31 Ca 0.26 0.27 -0.33 0.00 1.01 0.00 0.00 58.87 60.08 2k8r n SER 31 Cb 0.34 -3.11 -0.15 0.00 -1.01 0.00 0.00 64.21 60.28 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 -2.71 3.75 0.00 6.43 1.01 -1.26 -4.01 116.67 119.88 2k8r s ASP 32 Ca 0.00 -0.41 0.00 0.00 0.71 0.00 0.00 52.55 52.85 2k8r s ASP 32 Cb 0.00 -1.57 0.00 0.00 1.01 0.00 0.00 42.92 42.36 2k8r s ASP 32 CO 0.00 0.13 0.00 1.67 0.21 0.00 0.00 175.17 177.18 2k8r n GLN 33 N 3.75 3.17 -0.38 8.23 7.27 -1.26 -4.66 117.38 133.51 2k8r n GLN 33 Ca -0.19 0.00 0.31 0.00 0.07 0.00 0.00 57.00 57.20 2k8r n GLN 33 Cb 0.52 0.00 0.62 0.00 2.41 0.00 0.00 30.24 33.79 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 0.43 0.00 3.69 6.17 -1.82 -3.38 115.15 120.25 2k8r h HIS 34 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 2k8r h HIS 34 Cb 0.00 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 29.81 2k8r h HIS 34 CO 0.00 -0.03 0.00 -0.89 0.71 0.00 0.00 177.93 177.72 2k8r n ILE 35 N -4.51 0.00 -3.65 6.26 5.41 -1.26 -5.01 119.36 116.60 2k8r n ILE 35 Ca 0.30 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 64.02 2k8r n ILE 35 Cb 1.18 -0.13 -0.07 0.00 -0.71 0.00 0.00 39.64 39.91 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 -1.64 0.07 -0.04 0.38 0.74 -1.26 -4.93 119.66 112.98 2k8r s GLN 36 Ca 0.00 0.08 0.05 0.00 0.05 0.00 0.00 55.36 55.54 2k8r s GLN 36 Cb 0.00 0.03 -0.00 0.00 1.10 0.00 0.00 33.01 34.14 2k8r s GLN 36 CO 0.00 -0.01 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.39 2k8r s LEU 37 N 0.11 1.94 0.17 3.68 0.20 -1.25 0.24 118.68 123.77 2k8r s LEU 37 Ca 0.06 -0.35 0.11 0.00 0.69 0.00 0.00 54.13 54.64 2k8r s LEU 37 Cb -0.05 -0.97 -0.04 0.00 -0.43 0.00 0.00 46.19 44.70 2k8r s LEU 37 CO -0.15 0.16 -0.25 -1.10 -0.29 0.00 0.00 176.35 174.73 2k8r s GLN 38 N -0.04 1.46 -0.37 1.98 -0.21 0.40 0.11 119.66 123.00 2k8r s GLN 38 Ca -0.02 -1.46 0.06 0.00 0.02 0.00 0.00 55.36 53.95 2k8r s GLN 38 Cb -0.11 -1.82 0.17 0.00 1.00 0.00 0.00 33.01 32.25 2k8r s GLN 38 CO 0.02 0.41 0.53 -1.17 -2.12 0.00 0.00 175.29 172.95 2k8r s LEU 39 N -2.48 -1.03 0.00 2.90 0.20 -1.25 0.12 118.68 117.13 2k8r s LEU 39 Ca 0.18 -0.88 -0.08 0.00 0.69 0.00 0.00 54.13 54.04 2k8r s LEU 39 Cb -0.08 1.47 0.03 0.00 -0.43 0.00 0.00 46.19 47.17 2k8r s LEU 39 CO 0.08 -0.23 0.38 -1.20 -0.29 0.00 0.00 176.35 175.09 2k8r n SER 40 N 4.57 -0.30 0.00 3.68 7.64 -1.04 -3.78 113.62 124.39 2k8r n SER 40 Ca 0.09 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.95 2k8r n SER 40 Cb 0.52 0.46 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 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 -2.43 0.00 -2.48 -0.43 0.00 -1.26 -4.20 120.51 109.71 2k8r n ALA 41 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 2k8r n ALA 41 Cb 0.16 -0.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.34 2k8r n ALA 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k8r s GLU 42 N -0.84 1.67 0.95 0.00 0.41 -1.26 -4.97 118.70 114.67 2k8r s GLU 42 Ca 0.00 -1.83 -0.12 0.00 -0.41 0.00 0.00 54.97 52.61 2k8r s GLU 42 Cb 0.00 -1.51 0.16 0.00 -1.78 0.00 0.00 34.13 31.00 2k8r s GLU 42 CO 0.00 0.15 1.09 -1.12 -0.49 0.00 0.00 175.26 174.89 2k8r s SER 43 N -3.52 3.02 0.06 -0.19 0.01 -1.26 -4.79 113.70 107.03 2k8r s SER 43 Ca 0.30 1.36 -0.37 0.00 1.31 0.00 0.00 55.95 58.55 2k8r s SER 43 Cb 0.01 -2.04 -0.18 0.00 0.21 0.00 0.00 66.02 64.02 2k8r s SER 43 CO 0.14 -2.90 1.09 0.55 0.41 0.00 0.00 173.24 172.53 2k8r n VAL 44 N -4.04 0.30 0.00 3.43 3.14 -1.26 -0.90 118.33 119.00 2k8r n VAL 44 Ca 0.06 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2k8r n VAL 44 Cb 0.56 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 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 1.84 1.73 3.74 7.55 0.00 -1.26 -4.95 105.19 113.84 2k8r n GLY 45 Ca 0.19 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 4.14 -0.03 1.61 0.41 -0.07 -2.48 118.70 122.27 2k8r s GLU 46 Ca 0.00 2.56 0.01 0.00 -0.41 0.00 0.00 54.97 57.13 2k8r s GLU 46 Cb 0.00 -3.06 0.03 0.00 -1.78 0.00 0.00 34.13 29.32 2k8r s GLU 46 CO 0.00 -0.67 -0.00 0.14 -0.49 0.00 0.00 175.26 174.24 2k8r s VAL 47 N 0.56 0.21 -0.35 2.63 -7.23 0.30 -4.12 120.40 112.39 2k8r s VAL 47 Ca 0.68 0.06 -0.10 0.00 -1.81 0.00 0.00 61.98 60.81 2k8r s VAL 47 Cb -0.48 -0.29 0.02 0.00 0.56 0.00 0.00 36.38 36.18 2k8r s VAL 47 CO 0.40 0.15 0.18 -0.47 -0.31 0.00 0.00 175.10 175.05 2k8r s TYR 48 N 0.98 3.22 -0.10 2.82 5.04 -1.26 -2.49 117.35 125.56 2k8r s TYR 48 Ca -0.10 -0.85 -0.20 0.00 -2.44 0.00 0.00 57.07 53.48 2k8r s TYR 48 Cb -0.13 -2.40 -0.04 0.00 0.35 0.00 0.00 41.96 39.74 2k8r s TYR 48 CO -0.01 -0.58 0.57 0.42 -1.34 0.00 0.00 175.55 174.60 2k8r s ILE 49 N 1.57 5.13 -0.18 3.14 1.01 -1.26 -2.50 121.20 128.10 2k8r s ILE 49 Ca 0.03 1.15 -0.00 0.00 0.00 0.00 0.00 60.65 61.83 2k8r s ILE 49 Cb -0.18 -3.91 0.05 0.00 0.01 0.00 0.00 42.46 38.43 2k8r s ILE 49 CO 0.06 0.30 -0.05 -0.75 0.00 0.00 0.00 174.94 174.50 2k8r s LYS 50 N 0.68 1.42 -0.29 2.79 2.47 0.32 -4.35 119.74 122.78 2k8r s LYS 50 Ca 0.31 -0.61 -0.10 0.00 -1.56 0.00 0.00 55.97 54.00 2k8r s LYS 50 Cb -0.16 -2.15 -0.04 0.00 -1.46 0.00 0.00 37.83 34.02 2k8r s LYS 50 CO 0.14 -0.48 0.17 -1.12 0.16 0.00 0.00 175.35 174.21 2k8r s SER 51 N 1.60 5.78 0.02 1.43 0.01 -1.26 0.15 113.70 121.44 2k8r s SER 51 Ca -0.01 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2k8r s SER 51 Cb -0.16 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2k8r s SER 51 CO -0.07 -0.09 0.00 0.41 0.41 0.00 0.00 173.24 173.89 2k8r n THR 52 N 5.03 -3.42 -0.34 1.44 -1.04 0.65 -3.53 114.28 113.07 2k8r n THR 52 Ca -0.14 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 2k8r n THR 52 Cb 0.51 -2.55 0.05 0.00 -1.82 0.00 0.00 70.33 66.53 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 0.23 -0.18 -3.38 -2.82 4.07 -1.25 -4.16 120.64 113.15 2k8r n GLU 53 Ca 0.00 1.37 -0.12 0.00 -0.06 0.00 0.00 57.16 58.35 2k8r n GLU 53 Cb 0.00 -2.03 -0.09 0.00 -0.06 0.00 0.00 31.44 29.26 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 -5.89 -0.53 0.00 6.31 -4.23 -1.26 -4.94 115.64 105.10 2k8r s THR 54 Ca -0.12 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 2k8r s THR 54 Cb 0.19 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 73.21 2k8r s THR 54 CO 0.64 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 2k8r n GLY 55 N 5.35 1.13 3.42 3.99 0.00 -1.26 -5.15 105.19 112.67 2k8r n GLY 55 Ca -0.03 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 1.52 -0.20 1.61 -1.52 -1.23 -4.59 119.66 115.25 2k8r s GLN 56 Ca 0.00 -1.73 -0.04 0.00 -1.95 0.00 0.00 55.36 51.64 2k8r s GLN 56 Cb 0.00 -1.28 0.09 0.00 -0.22 0.00 0.00 33.01 31.60 2k8r s GLN 56 CO 0.00 0.14 0.23 -0.47 -0.25 0.00 0.00 175.29 174.94 2k8r s TYR 57 N -2.89 -0.31 -0.29 0.91 5.04 0.30 -4.51 117.35 115.61 2k8r s TYR 57 Ca 0.28 0.27 -0.29 0.00 -2.44 0.00 0.00 57.07 54.89 2k8r s TYR 57 Cb 0.01 -0.33 -0.02 0.00 0.35 0.00 0.00 41.96 41.96 2k8r s TYR 57 CO 0.11 -0.60 1.74 -1.17 -1.34 0.00 0.00 175.55 174.29 2k8r s LEU 58 N 2.34 3.64 0.06 6.97 1.98 -1.26 -3.25 118.68 129.16 2k8r s LEU 58 Ca 0.07 1.42 0.04 0.00 -2.89 0.00 0.00 54.13 52.76 2k8r s LEU 58 Cb -0.16 -3.53 -0.03 0.00 0.66 0.00 0.00 46.19 43.14 2k8r s LEU 58 CO -0.12 -1.56 -0.11 0.00 -1.89 0.00 0.00 176.35 172.68 2k8r s ALA 59 N 6.30 0.90 -0.16 5.97 0.00 0.31 -4.58 121.76 130.50 2k8r s ALA 59 Ca 0.77 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 2k8r s ALA 59 Cb -0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2k8r s ALA 59 CO 0.33 0.04 -0.05 0.00 0.00 0.00 0.00 175.76 176.08 2k8r s MET 60 N -1.90 3.58 0.17 0.00 0.23 -1.26 -0.04 119.30 120.07 2k8r s MET 60 Ca -0.04 -0.56 -0.30 0.00 -1.03 0.00 0.00 55.69 53.76 2k8r s MET 60 Cb -0.08 -2.89 -0.08 0.00 -1.53 0.00 0.00 34.83 30.24 2k8r s MET 60 CO 0.01 0.16 1.20 0.34 -2.03 0.00 0.00 175.02 174.70 2k8r s ASP 61 N 0.57 7.08 0.36 -1.18 -1.08 0.54 -4.88 116.67 118.08 2k8r s ASP 61 Ca -0.04 2.21 0.17 0.00 -0.52 0.00 0.00 52.55 54.37 2k8r s ASP 61 Cb -0.15 -2.60 1.12 0.00 -1.46 0.00 0.00 42.92 39.83 2k8r s ASP 61 CO 0.03 -0.39 1.68 0.00 0.52 0.00 0.00 175.17 177.00 2k8r h THR 62 N 3.87 0.34 -0.14 1.71 1.03 -1.99 0.59 112.91 118.32 2k8r h THR 62 Ca -0.44 -0.11 -0.06 0.00 -0.01 0.00 0.00 66.41 65.79 2k8r h THR 62 Cb 1.21 -0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 68.26 2k8r h THR 62 CO 0.76 0.06 -0.17 -0.78 -0.01 0.00 0.00 175.52 175.38 2k8r h ASP 63 N 0.33 0.22 0.00 0.00 3.58 -2.02 -3.46 116.42 115.07 2k8r h ASP 63 Ca 0.72 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 58.11 2k8r h ASP 63 Cb 1.73 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.72 2k8r h ASP 63 CO -0.51 0.42 0.00 0.61 -2.88 0.00 0.00 179.24 176.87 2k8r n GLY 64 N -0.77 0.73 3.02 -0.78 0.00 0.21 -3.71 105.19 103.88 2k8r n GLY 64 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 1.64 -0.22 0.99 1.98 -1.12 -2.28 118.68 119.68 2k8r s LEU 65 Ca 0.00 -0.28 -0.15 0.00 -2.89 0.00 0.00 54.13 50.81 2k8r s LEU 65 Cb 0.00 -0.79 -0.04 0.00 0.66 0.00 0.00 46.19 46.02 2k8r s LEU 65 CO 0.00 0.03 0.35 -0.76 -1.89 0.00 0.00 176.35 174.08 2k8r s LEU 66 N 0.63 4.13 0.05 -0.68 1.02 -1.26 0.20 118.68 122.78 2k8r s LEU 66 Ca -0.13 0.41 0.00 0.00 0.02 0.00 0.00 54.13 54.43 2k8r s LEU 66 Cb -0.15 -2.42 -0.03 0.00 0.02 0.00 0.00 46.19 43.60 2k8r s LEU 66 CO 0.03 -0.06 -0.04 -0.72 0.02 0.00 0.00 176.35 175.58 2k8r s TYR 67 N 1.33 0.55 -1.50 0.29 -0.85 0.94 -4.22 117.35 113.89 2k8r s TYR 67 Ca 0.16 -0.84 0.16 0.00 -0.52 0.00 0.00 57.07 56.03 2k8r s TYR 67 Cb -0.15 -0.37 0.42 0.00 0.38 0.00 0.00 41.96 42.25 2k8r s TYR 67 CO 0.07 -0.25 1.34 0.41 -1.52 0.00 0.00 175.55 175.60 2k8r n GLY 68 N 0.60 2.34 3.68 5.49 0.00 -1.25 0.12 105.19 116.15 2k8r n GLY 68 Ca -0.17 -0.56 -0.46 0.00 0.00 0.00 0.00 46.02 44.83 2k8r n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k8r n SER 69 N 1.03 3.36 -4.53 1.61 7.64 -1.20 0.11 113.62 121.64 2k8r n SER 69 Ca 0.17 1.03 -0.35 0.00 1.01 0.00 0.00 58.87 60.73 2k8r n SER 69 Cb 0.51 -1.43 -0.09 0.00 -1.01 0.00 0.00 64.21 62.19 2k8r n SER 69 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2k8r n GLN 70 N 4.79 0.57 -3.17 1.43 0.00 -1.26 -4.26 117.38 115.47 2k8r n GLN 70 Ca 0.19 -0.09 -0.07 0.00 -0.00 0.00 0.00 57.00 57.03 2k8r n GLN 70 Cb 0.30 -2.65 -0.03 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 10.60 -0.73 -0.52 1.69 2.01 -1.26 -4.96 115.64 122.47 2k8r s THR 71 Ca 1.13 -0.64 -0.26 0.00 0.31 0.00 0.00 61.69 62.22 2k8r s THR 71 Cb -0.59 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2k8r s THR 71 CO 0.34 -0.24 2.12 -2.16 -0.69 0.00 0.00 174.62 173.99 2k8r s PRO 72 N 1.42 2.46 0.05 4.92 0.04 -1.26 -4.87 135.00 137.76 2k8r s PRO 72 Ca 0.20 1.11 -0.02 0.00 0.04 0.00 0.00 61.00 62.33 2k8r s PRO 72 Cb -0.06 -4.46 -0.03 0.00 0.04 0.00 0.00 34.50 29.98 2k8r s PRO 72 CO -0.06 -2.88 -0.01 1.21 0.04 0.00 0.00 177.00 175.30 2k8r s ASN 73 N 9.82 0.43 0.56 6.66 3.84 -1.26 -5.03 114.94 129.96 2k8r s ASN 73 Ca 0.84 -0.91 0.32 0.00 0.21 0.00 0.00 52.86 53.31 2k8r s ASN 73 Cb -0.16 0.21 1.47 0.00 -0.55 0.00 0.00 41.25 42.21 2k8r s ASN 73 CO 0.25 -0.59 1.84 -0.33 -2.79 0.00 0.00 177.10 175.48 2k8r h GLU 74 N 3.25 0.00 -0.10 0.43 5.08 -2.00 0.52 114.58 121.75 2k8r h GLU 74 Ca -0.34 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.05 2k8r h GLU 74 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2k8r h GLU 74 CO 0.63 0.00 0.43 0.93 -1.00 0.00 0.00 179.01 179.99 2k8r h GLU 75 N 0.00 0.00 0.00 2.33 4.39 -1.95 0.26 114.58 119.62 2k8r h GLU 75 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 2k8r h GLU 75 Cb 1.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 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 -4.95 3.31 0.36 0.00 2.01 0.92 -4.36 118.68 115.96 2k8r s LEU 77 Ca 0.03 0.20 0.08 0.00 0.01 0.00 0.00 54.13 54.45 2k8r s LEU 77 Cb 0.09 -2.76 -0.05 0.00 0.01 0.00 0.00 46.19 43.47 2k8r s LEU 77 CO 0.42 -2.00 0.07 -0.36 1.01 0.00 0.00 176.35 175.48 2k8r s PHE 78 N 7.24 2.58 -0.16 0.29 0.08 -1.04 0.10 117.98 127.07 2k8r s PHE 78 Ca 0.56 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 57.14 2k8r s PHE 78 Cb -0.12 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 2k8r s PHE 78 CO 0.22 0.39 -0.17 -1.17 -0.10 0.00 0.00 175.22 174.39 2k8r s LEU 79 N -3.77 1.85 -0.25 -0.37 1.98 0.33 -0.54 118.68 117.91 2k8r s LEU 79 Ca 0.37 -0.54 -0.07 0.00 -2.89 0.00 0.00 54.13 50.99 2k8r s LEU 79 Cb 0.01 -1.29 -0.03 0.00 0.66 0.00 0.00 46.19 45.55 2k8r s LEU 79 CO 0.20 -0.03 0.06 -0.70 -1.89 0.00 0.00 176.35 174.00 2k8r s GLU 80 N 1.37 3.61 -0.60 1.98 2.12 -1.04 -1.24 118.70 124.90 2k8r s GLU 80 Ca 0.04 -0.50 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 2k8r s GLU 80 Cb -0.13 -3.31 0.16 0.00 0.26 0.00 0.00 34.13 31.11 2k8r s GLU 80 CO -0.11 -0.20 0.42 0.50 -0.54 0.00 0.00 175.26 175.33 2k8r s ARG 81 N 1.60 2.53 -0.27 4.30 3.52 0.25 -4.73 118.95 126.15 2k8r s ARG 81 Ca 0.06 -2.44 -0.29 0.00 -0.13 0.00 0.00 55.73 52.93 2k8r s ARG 81 Cb -0.15 -3.74 -0.00 0.00 -1.56 0.00 0.00 34.95 29.50 2k8r s ARG 81 CO 0.03 -1.17 1.32 -1.17 -0.81 0.00 0.00 175.30 173.51 2k8r s LEU 82 N 0.09 3.94 0.00 -0.88 2.96 -1.26 0.15 118.68 123.68 2k8r s LEU 82 Ca 0.16 1.34 0.30 0.00 -0.22 0.00 0.00 54.13 55.71 2k8r s LEU 82 Cb -0.20 -3.54 1.48 0.00 0.50 0.00 0.00 46.19 44.43 2k8r s LEU 82 CO -0.04 -1.03 1.99 1.21 -1.32 0.00 0.00 176.35 177.16 2k8r n GLU 83 N 7.20 1.24 0.00 1.98 2.13 0.63 -4.92 120.64 128.91 2k8r n GLU 83 Ca 0.15 -0.43 0.00 0.00 0.66 0.00 0.00 57.16 57.54 2k8r n GLU 83 Cb 0.46 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.68 2k8r n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k8r n GLU 84 N -0.51 0.00 -0.80 5.31 2.13 -1.20 -4.80 120.64 120.77 2k8r n GLU 84 Ca 0.21 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.66 2k8r n GLU 84 Cb 0.23 -0.03 -0.07 0.00 0.27 0.00 0.00 31.44 31.85 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 2.05 2.14 -3.66 4.31 5.15 -1.26 -4.32 115.26 119.67 2k8r n ASN 85 Ca 0.00 -2.52 -0.25 0.00 -0.60 0.00 0.00 54.58 51.21 2k8r n ASN 85 Cb 0.00 -0.87 -0.04 0.00 -0.53 0.00 0.00 39.78 38.34 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 7.30 -1.56 -3.55 1.20 1.44 -1.26 -4.87 115.22 113.92 2k8r n HIS 86 Ca 0.44 0.43 -0.14 0.00 -2.01 0.00 0.00 57.72 56.44 2k8r n HIS 86 Cb 0.34 -1.79 -0.05 0.00 0.12 0.00 0.00 29.99 28.61 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 -2.78 -0.45 -0.07 -1.40 5.04 -1.26 -4.66 117.35 111.76 2k8r s TYR 87 Ca 0.49 0.47 -0.16 0.00 -2.44 0.00 0.00 57.07 55.42 2k8r s TYR 87 Cb -0.28 0.38 0.03 0.00 0.35 0.00 0.00 41.96 42.44 2k8r s TYR 87 CO 0.60 -0.68 0.38 0.54 -1.34 0.00 0.00 175.55 175.05 2k8r s ASN 88 N -2.09 -0.33 -0.17 4.32 2.20 -1.02 -0.27 114.94 117.60 2k8r s ASN 88 Ca -0.04 0.43 -0.14 0.00 -0.94 0.00 0.00 52.86 52.17 2k8r s ASN 88 Cb -0.00 0.53 -0.05 0.00 -2.00 0.00 0.00 41.25 39.73 2k8r s ASN 88 CO -0.03 -0.35 0.28 -0.89 -2.94 0.00 0.00 177.10 173.17 2k8r s THR 89 N -0.72 5.31 -0.20 0.54 2.01 0.40 -4.13 115.64 118.84 2k8r s THR 89 Ca -0.08 0.52 -0.02 0.00 0.31 0.00 0.00 61.69 62.42 2k8r s THR 89 Cb -0.04 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.85 2k8r s THR 89 CO 0.03 0.38 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.95 2k8r s TYR 90 N 0.52 2.91 0.03 4.92 2.02 -1.26 0.85 117.35 127.34 2k8r s TYR 90 Ca 0.16 -1.05 -0.02 0.00 -0.37 0.00 0.00 57.07 55.79 2k8r s TYR 90 Cb -0.13 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 2k8r s TYR 90 CO 0.04 -0.56 0.00 0.96 -1.57 0.00 0.00 175.55 174.41 2k8r s ILE 91 N 1.31 0.15 0.16 2.71 -4.36 -0.38 -3.78 121.20 117.02 2k8r s ILE 91 Ca 0.04 -1.26 -0.30 0.00 -0.26 0.00 0.00 60.65 58.87 2k8r s ILE 91 Cb -0.14 -0.84 -0.07 0.00 1.25 0.00 0.00 42.46 42.66 2k8r s ILE 91 CO -0.04 -0.69 1.03 -0.44 0.24 0.00 0.00 174.94 175.03 2k8r s SER 92 N -2.11 7.40 -0.12 4.36 0.01 -1.26 0.12 113.70 122.10 2k8r s SER 92 Ca -0.06 1.96 -0.17 0.00 1.31 0.00 0.00 55.95 59.00 2k8r s SER 92 Cb -0.02 -2.60 -0.15 0.00 0.21 0.00 0.00 66.02 63.47 2k8r s SER 92 CO -0.05 -0.11 0.47 0.50 0.41 0.00 0.00 173.24 174.46 2k8r h LYS 93 N 5.16 -0.02 -0.96 12.44 3.11 -0.60 -3.27 116.57 132.43 2k8r h LYS 93 Ca -0.44 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.48 2k8r h LYS 93 Cb 1.21 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.37 2k8r h LYS 93 CO 0.72 0.53 0.61 -0.22 -2.81 0.00 0.00 179.45 178.28 2k8r h LYS 94 N -0.99 1.05 -1.26 1.90 3.64 -1.83 -1.77 116.57 117.31 2k8r h LYS 94 Ca -0.00 -0.06 -0.38 0.00 -1.27 0.00 0.00 60.65 58.93 2k8r h LYS 94 Cb 0.56 -0.24 -0.18 0.00 -0.41 0.00 0.00 32.23 31.96 2k8r h LYS 94 CO 0.00 0.70 0.50 0.72 -2.27 0.00 0.00 179.45 179.09 2k8r n HIS 95 N -4.56 1.95 -0.33 1.91 8.25 -1.26 -4.62 115.22 116.57 2k8r n HIS 95 Ca 0.15 -1.95 0.17 0.00 -0.26 0.00 0.00 57.72 55.83 2k8r n HIS 95 Cb 0.22 -0.96 0.37 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 1.54 1.70 -0.17 -1.41 0.00 -1.36 0.62 119.26 120.18 2k8r h ALA 96 Ca 0.38 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.48 2k8r h ALA 96 Cb 1.29 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2k8r h ALA 96 CO 0.88 -0.33 0.19 0.93 0.00 0.00 0.00 179.25 180.92 2k8r h GLU 97 N 0.49 0.00 -0.89 0.00 4.39 -1.87 -2.58 114.58 114.13 2k8r h GLU 97 Ca 0.63 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.95 2k8r h GLU 97 Cb 1.23 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.47 2k8r h GLU 97 CO -0.51 0.00 -1.05 1.63 -1.16 0.00 0.00 179.01 177.92 2k8r n LYS 98 N -3.84 1.99 -1.88 2.33 5.02 0.20 -5.05 118.16 116.94 2k8r n LYS 98 Ca 0.01 -3.64 -0.28 0.00 -2.02 0.00 0.00 58.31 52.38 2k8r n LYS 98 Cb 0.31 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 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 -3.45 4.81 -0.09 4.39 4.22 -0.42 -4.94 114.94 119.47 2k8r s ASN 99 Ca 0.33 -0.01 -0.03 0.00 -2.14 0.00 0.00 52.86 51.01 2k8r s ASN 99 Cb 0.40 -2.54 -0.04 0.00 1.28 0.00 0.00 41.25 40.36 2k8r s ASN 99 CO -0.02 -2.91 0.04 0.26 -2.04 0.00 0.00 177.10 172.43 2k8r s TRP 100 N 11.11 3.28 0.42 1.54 0.52 -1.26 -4.94 118.94 129.61 2k8r s TRP 100 Ca 0.78 0.28 -0.26 0.00 0.02 0.00 0.00 56.10 56.92 2k8r s TRP 100 Cb -0.11 -1.82 -0.09 0.00 -1.15 0.00 0.00 33.47 30.31 2k8r s TRP 100 CO 0.10 0.54 1.35 -0.06 0.02 0.00 0.00 176.95 178.91 2k8r s PHE 101 N -0.95 2.70 0.00 -1.98 0.08 -1.26 -4.62 117.98 111.95 2k8r s PHE 101 Ca 0.15 1.35 0.00 0.00 0.12 0.00 0.00 56.93 58.55 2k8r s PHE 101 Cb -0.12 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 38.57 2k8r s PHE 101 CO 0.04 -2.39 0.00 1.33 -0.10 0.00 0.00 175.22 174.10 2k8r n VAL 102 N 0.04 0.00 0.00 -0.44 0.24 -1.25 -4.61 118.33 112.32 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 0.43 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 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 5.00 0.52 3.99 7.63 0.00 -1.26 -4.52 105.19 116.55 2k8r n GLY 103 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 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 3.30 -0.14 0.99 0.05 -1.26 -2.63 118.68 118.99 2k8r s LEU 104 Ca 0.00 -0.18 -0.00 0.00 0.05 0.00 0.00 54.13 53.99 2k8r s LEU 104 Cb 0.00 -2.65 -0.01 0.00 -2.05 0.00 0.00 46.19 41.48 2k8r s LEU 104 CO 0.00 -1.17 -0.13 -0.75 -0.55 0.00 0.00 176.35 173.75 2k8r s LYS 105 N -4.73 3.37 0.58 1.48 2.47 0.38 -4.89 119.74 118.40 2k8r s LYS 105 Ca 0.58 -0.69 0.32 0.00 -1.56 0.00 0.00 55.97 54.62 2k8r s LYS 105 Cb -0.09 -2.65 1.34 0.00 -1.46 0.00 0.00 37.83 34.97 2k8r s LYS 105 CO 0.38 0.17 1.66 1.57 0.16 0.00 0.00 175.35 179.30 2k8r h LYS 106 N 6.84 0.00 -0.39 4.03 2.10 -1.90 0.52 116.57 127.77 2k8r h LYS 106 Ca -0.27 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.49 2k8r h LYS 106 Cb 1.21 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.52 2k8r h LYS 106 CO 0.56 0.00 0.42 -0.97 -2.00 0.00 0.00 179.45 177.46 2k8r h ASN 107 N 0.00 0.00 0.00 7.07 -0.73 -1.97 -3.35 115.58 116.60 2k8r h ASN 107 Ca 0.44 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.61 2k8r h ASN 107 Cb 2.18 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.77 2k8r h ASN 107 CO -0.00 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.67 2k8r n GLY 108 N -1.48 1.14 3.25 1.57 0.00 0.18 -5.03 105.19 104.81 2k8r n GLY 108 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2k8r n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k8r s SER 109 N -2.00 -0.26 -0.06 1.61 1.04 -1.03 -4.94 113.70 108.07 2k8r s SER 109 Ca 0.00 0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 2k8r s SER 109 Cb 0.00 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2k8r s SER 109 CO 0.00 -0.35 0.03 0.00 0.98 0.00 0.00 173.24 173.90 2k8r s LYS 111 N -1.19 1.64 0.03 0.00 -0.14 -1.08 -4.87 119.74 114.12 2k8r s LYS 111 Ca 0.17 -2.32 -0.01 0.00 -1.36 0.00 0.00 55.97 52.45 2k8r s LYS 111 Cb -0.12 -2.84 -0.01 0.00 -1.68 0.00 0.00 37.83 33.19 2k8r s LYS 111 CO 0.06 -1.13 -0.02 -2.13 -0.76 0.00 0.00 175.35 171.37 2k8r n ARG 112 N 3.33 0.03 0.14 1.68 0.00 -1.21 -4.53 116.66 116.09 2k8r n ARG 112 Ca 0.07 0.01 -0.12 0.00 -0.00 0.00 0.00 57.85 57.81 2k8r n ARG 112 Cb 0.33 -0.55 -0.07 0.00 0.00 0.00 0.00 32.46 32.17 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 -0.06 -0.42 -0.96 5.14 0.00 -1.53 -3.33 103.07 101.91 2k8r h GLY 113 Ca -0.02 0.16 0.14 0.00 0.00 0.00 0.00 47.33 47.61 2k8r h GLY 113 CO -0.01 -0.15 -0.39 -1.05 0.00 0.00 0.00 176.54 174.94 2k8r n PRO 114 N -5.08 -0.24 0.00 4.80 -0.02 -1.26 -4.74 135.00 128.46 2k8r n PRO 114 Ca -0.09 1.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.87 2k8r n PRO 114 Cb 0.27 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2k8r n PRO 114 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2k8r n ARG 115 N -5.40 0.00 -3.72 -0.52 0.63 -1.25 -5.17 116.66 101.24 2k8r n ARG 115 Ca 0.09 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.86 2k8r n ARG 115 Cb 0.38 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.13 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 -0.40 -0.12 0.00 5.15 -1.32 -1.26 -4.62 115.64 113.07 2k8r s THR 116 Ca 0.00 0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 2k8r s THR 116 Cb 0.00 -0.21 0.00 0.00 -1.51 0.00 0.00 72.50 70.78 2k8r s THR 116 CO 0.00 0.12 0.00 1.41 -2.21 0.00 0.00 174.62 173.94 2k8r n HIS 117 N 4.71 0.00 -3.34 9.09 -0.00 -1.26 -4.85 115.22 119.58 2k8r n HIS 117 Ca -0.17 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.17 2k8r n HIS 117 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.44 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 3.78 0.00 4.41 2.02 -1.26 -4.87 117.35 121.43 2k8r s TYR 118 Ca 0.00 1.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.89 2k8r s TYR 118 Cb 0.00 -2.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.12 2k8r s TYR 118 CO 0.00 0.60 0.00 0.41 -1.57 0.00 0.00 175.55 174.99 2k8r n GLY 119 N 1.70 0.55 0.58 0.71 0.00 -1.26 -4.68 105.19 102.80 2k8r n GLY 119 Ca -0.11 -1.03 0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 0.05 -0.98 1.61 4.20 -1.93 0.46 115.11 118.52 2k8r h GLN 120 Ca 0.00 -0.00 0.28 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 0.03 0.69 1.57 -0.67 0.00 0.00 178.83 180.45 2k8r h LYS 121 N 0.05 0.06 0.00 1.46 5.09 -1.88 0.41 116.57 121.75 2k8r h LYS 121 Ca 0.80 -0.00 -0.02 0.00 0.09 0.00 0.00 60.65 61.52 2k8r h LYS 121 Cb 2.92 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 35.23 2k8r h LYS 121 CO -0.16 0.04 -0.09 0.00 -2.09 0.00 0.00 179.45 177.15 2k8r h ALA 122 N 1.53 0.95 -0.77 0.07 0.00 -0.31 -3.37 119.26 117.36 2k8r h ALA 122 Ca 0.47 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.98 2k8r h ALA 122 Cb 1.78 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 19.22 2k8r h ALA 122 CO -0.04 0.11 -1.00 -0.89 0.00 0.00 0.00 179.25 177.42 2k8r n ILE 123 N -3.14 0.76 -2.80 0.00 -0.00 0.12 -4.36 119.36 109.95 2k8r n ILE 123 Ca 0.03 -2.69 -0.10 0.00 -0.00 0.00 0.00 62.75 59.98 2k8r n ILE 123 Cb 0.52 0.75 0.05 0.00 -0.00 0.00 0.00 39.64 40.95 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 -2.31 -4.67 1.39 7.94 0.14 -4.92 117.00 114.38 2k8r n LEU 124 Ca 0.06 -3.63 -0.35 0.00 -1.11 0.00 0.00 56.01 50.98 2k8r n LEU 124 Cb 0.83 0.85 -0.09 0.00 0.53 0.00 0.00 43.42 45.54 2k8r n LEU 124 CO 0.19 2.05 -0.29 -0.36 -1.11 0.00 0.00 177.39 177.87 2k8r s PHE 125 N 0.26 3.20 -0.33 1.96 0.08 -1.26 -2.81 117.98 119.09 2k8r s PHE 125 Ca 0.29 0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.51 2k8r s PHE 125 Cb 0.25 -1.87 0.09 0.00 -0.57 0.00 0.00 43.02 40.92 2k8r s PHE 125 CO -0.16 0.38 0.04 -1.17 -0.10 0.00 0.00 175.22 174.21 2k8r s LEU 126 N -0.54 4.52 0.34 -0.37 2.96 0.27 -2.43 118.68 123.44 2k8r s LEU 126 Ca 0.10 -1.91 0.05 0.00 -0.22 0.00 0.00 54.13 52.14 2k8r s LEU 126 Cb -0.12 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 2k8r s LEU 126 CO 0.02 -0.36 0.50 -2.16 -1.32 0.00 0.00 176.35 173.03 2k8r s PRO 127 N 1.01 3.19 0.36 0.98 0.04 -1.26 -0.46 135.00 138.86 2k8r s PRO 127 Ca 0.05 -0.81 -0.28 0.00 0.04 0.00 0.00 61.00 60.00 2k8r s PRO 127 Cb -0.20 -2.77 -0.10 0.00 0.04 0.00 0.00 34.50 31.48 2k8r s PRO 127 CO -0.06 0.06 1.32 -1.17 0.04 0.00 0.00 177.00 177.19 2k8r s LEU 128 N -4.23 4.35 -0.27 -3.56 2.96 -0.95 -4.83 118.68 112.15 2k8r s LEU 128 Ca 0.43 2.71 -0.03 0.00 -0.22 0.00 0.00 54.13 57.02 2k8r s LEU 128 Cb -0.10 -3.73 -0.03 0.00 0.50 0.00 0.00 46.19 42.83 2k8r s LEU 128 CO 0.32 -0.66 1.35 -2.65 -1.32 0.00 0.00 176.35 173.39 2k8r n PRO 129 N 0.55 0.61 -3.50 0.98 -0.02 -1.26 -4.66 135.00 127.71 2k8r n PRO 129 Ca 0.01 -0.81 -0.19 0.00 -2.02 0.00 0.00 63.50 60.49 2k8r n PRO 129 Cb 0.42 -2.16 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 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 4.62 -0.30 0.27 -1.45 -7.23 -1.26 -5.14 120.40 109.91 2k8r s VAL 130 Ca 0.14 -0.13 -0.15 0.00 -1.81 0.00 0.00 61.98 60.04 2k8r s VAL 130 Cb 0.04 -0.68 0.01 0.00 0.56 0.00 0.00 36.38 36.31 2k8r s VAL 130 CO 0.00 -0.22 0.57 -0.44 -0.31 0.00 0.00 175.10 174.70 2k8r s SER 131 N 2.31 -0.06 -1.19 4.85 0.01 -1.26 -4.75 113.70 113.61 2k8r s SER 131 Ca 0.06 -0.90 -0.16 0.00 1.31 0.00 0.00 55.95 56.26 2k8r s SER 131 Cb -0.16 0.65 0.12 0.00 0.21 0.00 0.00 66.02 66.85 2k8r s SER 131 CO -0.12 -1.26 1.50 -0.44 0.41 0.00 0.00 173.24 173.33 2k8r s SER 132 N -3.01 6.90 0.00 2.44 0.01 -1.25 -4.94 113.70 113.85 2k8r s SER 132 Ca 0.19 -2.59 0.30 0.00 1.31 0.00 0.00 55.95 55.16 2k8r s SER 132 Cb -0.03 -2.47 1.81 0.00 0.21 0.00 0.00 66.02 65.54 2k8r s SER 132 CO 0.09 -0.98 2.14 -0.67 0.41 0.00 0.00 173.24 174.24