#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 4.54 0.10 -3.48 -2.85 -1.26 -4.26 119.74 112.52 2k8r s LYS 2 Ca 0.00 1.54 -0.22 0.00 -1.00 0.00 0.00 55.97 56.29 2k8r s LYS 2 Cb 0.00 -3.41 0.06 0.00 -2.06 0.00 0.00 37.83 32.41 2k8r s LYS 2 CO 0.00 -0.08 0.53 0.15 0.10 0.00 0.00 175.35 176.05 2k8r s LYS 3 N 0.86 1.13 -0.58 1.78 1.02 -1.26 -5.09 119.74 117.60 2k8r s LYS 3 Ca 0.53 -0.39 -0.27 0.00 0.02 0.00 0.00 55.97 55.86 2k8r s LYS 3 Cb -0.24 0.51 -0.10 0.00 -0.52 0.00 0.00 37.83 37.49 2k8r s LYS 3 CO 0.29 -0.45 2.46 -2.30 -0.92 0.00 0.00 175.35 174.43 2k8r n PRO 4 N 0.02 0.87 -3.78 -1.68 -0.02 -1.26 -4.54 135.00 124.60 2k8r n PRO 4 Ca -0.17 -0.03 -0.21 0.00 -2.02 0.00 0.00 63.50 61.07 2k8r n PRO 4 Cb 0.62 -3.16 -0.02 0.00 -0.02 0.00 0.00 33.50 30.92 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 8.41 3.01 0.03 -0.52 2.20 0.23 -4.64 119.74 128.47 2k8r s LYS 5 Ca 1.04 -1.07 -0.04 0.00 -0.36 0.00 0.00 55.97 55.54 2k8r s LYS 5 Cb -0.33 -2.68 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 2k8r s LYS 5 CO 0.29 0.20 0.06 -0.48 -0.36 0.00 0.00 175.35 175.06 2k8r s LEU 6 N -4.02 1.95 -0.41 5.43 2.34 -1.26 -3.49 118.68 119.21 2k8r s LEU 6 Ca 0.40 -0.56 -0.01 0.00 0.06 0.00 0.00 54.13 54.01 2k8r s LEU 6 Cb -0.08 0.47 0.11 0.00 -0.56 0.00 0.00 46.19 46.13 2k8r s LEU 6 CO 0.28 -0.47 0.19 -0.22 -1.06 0.00 0.00 176.35 175.07 2k8r s LEU 7 N -2.06 5.12 -0.03 1.48 2.96 -1.26 -1.78 118.68 123.11 2k8r s LEU 7 Ca -0.06 -2.16 -0.16 0.00 -0.22 0.00 0.00 54.13 51.53 2k8r s LEU 7 Cb -0.02 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 2k8r s LEU 7 CO -0.04 -0.48 0.44 -0.47 -1.32 0.00 0.00 176.35 174.47 2k8r s TYR 8 N 0.95 3.68 -0.28 5.38 6.14 0.20 -4.46 117.35 128.96 2k8r s TYR 8 Ca 0.10 0.98 -0.01 0.00 0.64 0.00 0.00 57.07 58.78 2k8r s TYR 8 Cb -0.22 -2.38 0.04 0.00 0.42 0.00 0.00 41.96 39.82 2k8r s TYR 8 CO -0.05 0.51 -0.03 0.00 0.64 0.00 0.00 175.55 176.62 2k8r n SER 10 N 4.63 3.20 -0.59 0.00 7.64 -1.18 -4.10 113.62 123.23 2k8r n SER 10 Ca -0.15 -2.64 0.01 0.00 1.01 0.00 0.00 58.87 57.11 2k8r n SER 10 Cb 0.45 -1.19 0.02 0.00 -1.01 0.00 0.00 64.21 62.48 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 6.68 0.36 0.00 6.43 4.05 -1.26 -4.81 115.26 126.71 2k8r n ASN 11 Ca 0.50 -2.13 0.00 0.00 0.45 0.00 0.00 54.58 53.40 2k8r n ASN 11 Cb 0.35 -0.24 0.00 0.00 1.23 0.00 0.00 39.78 41.13 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 -0.08 2.05 7.00 8.20 0.00 -1.26 -4.94 105.19 116.16 2k8r n GLY 12 Ca 0.02 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 2.46 -1.63 3.32 -0.02 0.00 -1.26 -4.86 105.19 103.20 2k8r n GLY 13 Ca 0.00 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 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 1.85 -0.03 1.61 3.76 -1.26 -4.93 115.29 116.30 2k8r s HIS 14 Ca 0.00 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 54.49 2k8r s HIS 14 Cb 0.00 -0.97 0.02 0.00 1.11 0.00 0.00 32.58 32.74 2k8r s HIS 14 CO 0.00 0.28 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.07 2k8r s PHE 15 N -1.54 0.58 0.00 1.40 0.40 -0.78 0.12 117.98 118.17 2k8r s PHE 15 Ca 0.11 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 2k8r s PHE 15 Cb -0.08 -0.53 0.00 0.00 0.51 0.00 0.00 43.02 42.92 2k8r s PHE 15 CO 0.06 -0.14 0.00 1.47 0.70 0.00 0.00 175.22 177.31 2k8r n LEU 16 N 3.83 0.00 -3.73 -0.37 -0.00 -1.21 -4.30 117.00 111.23 2k8r n LEU 16 Ca -0.24 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.64 2k8r n LEU 16 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.84 2k8r n LEU 16 CO 0.24 0.00 0.08 -0.60 -0.00 0.00 0.00 177.39 177.11 2k8r s ARG 17 N 0.00 0.52 -0.08 1.47 3.52 -1.23 -3.38 118.95 119.78 2k8r s ARG 17 Ca 0.00 0.44 0.01 0.00 -0.13 0.00 0.00 55.73 56.04 2k8r s ARG 17 Cb 0.00 0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 2k8r s ARG 17 CO 0.00 -0.09 -0.07 -1.50 -0.81 0.00 0.00 175.30 172.83 2k8r s ILE 18 N -0.07 0.85 0.11 4.11 1.10 -1.26 -2.38 121.20 123.65 2k8r s ILE 18 Ca -0.02 -0.24 -0.18 0.00 -0.51 0.00 0.00 60.65 59.69 2k8r s ILE 18 Cb -0.03 -0.85 -0.07 0.00 0.15 0.00 0.00 42.46 41.66 2k8r s ILE 18 CO 0.01 0.31 0.58 -0.76 -2.11 0.00 0.00 174.94 172.98 2k8r s LEU 19 N 1.27 4.46 0.66 8.50 2.01 0.25 -4.82 118.68 131.01 2k8r s LEU 19 Ca -0.04 1.23 0.26 0.00 0.01 0.00 0.00 54.13 55.58 2k8r s LEU 19 Cb -0.14 -3.06 1.38 0.00 0.01 0.00 0.00 46.19 44.39 2k8r s LEU 19 CO -0.03 0.21 1.78 1.55 1.01 0.00 0.00 176.35 180.87 2k8r h PRO 20 N 4.17 0.00 -0.00 1.29 0.13 -1.93 0.67 132.00 136.33 2k8r h PRO 20 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k8r h PRO 20 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k8r h PRO 20 CO 0.64 0.00 -0.01 -0.25 -0.23 0.00 0.00 178.00 178.15 2k8r n ASP 21 N -2.88 0.05 -0.88 1.44 8.00 -1.26 -4.54 116.55 116.48 2k8r n ASP 21 Ca -0.01 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.08 2k8r n ASP 21 Cb 0.49 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2k8r n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k8r n GLY 22 N 1.21 0.84 3.38 0.44 0.00 0.23 -4.84 105.19 106.46 2k8r n GLY 22 Ca 0.17 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.59 0.00 -0.03 2.61 2.01 -1.15 -4.44 115.64 112.05 2k8r s THR 23 Ca 0.00 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.02 2k8r s THR 23 Cb 0.00 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 2k8r s THR 23 CO 0.00 -0.02 -0.19 0.54 -0.69 0.00 0.00 174.62 174.26 2k8r s VAL 24 N 0.06 2.65 0.17 3.82 0.11 -1.26 0.85 120.40 126.80 2k8r s VAL 24 Ca -0.02 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.14 2k8r s VAL 24 Cb -0.03 -2.00 -0.00 0.00 -1.53 0.00 0.00 36.38 32.81 2k8r s VAL 24 CO 0.01 0.57 0.20 -0.90 -3.33 0.00 0.00 175.10 171.66 2k8r n ASP 25 N 2.32 -0.54 -4.77 3.54 5.75 -1.00 -4.33 116.55 117.52 2k8r n ASP 25 Ca -0.17 -1.98 -0.39 0.00 -0.01 0.00 0.00 54.79 52.24 2k8r n ASP 25 Cb 0.52 1.08 -0.03 0.00 -1.03 0.00 0.00 41.12 41.65 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 -2.09 2.94 0.15 6.12 0.00 -1.26 -3.29 107.32 109.89 2k8r s GLY 26 Ca 0.16 0.96 -0.24 0.00 0.00 0.00 0.00 44.72 45.60 2k8r s GLY 26 CO 0.12 1.52 0.80 -1.59 0.00 0.00 0.00 173.10 173.95 2k8r s THR 27 N -1.31 0.00 -0.04 0.90 2.01 0.33 -4.73 115.64 112.80 2k8r s THR 27 Ca 0.52 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.10 2k8r s THR 27 Cb -0.32 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.67 2k8r s THR 27 CO 0.40 0.00 -0.08 0.00 -0.69 0.00 0.00 174.62 174.25 2k8r s ARG 28 N -3.51 1.07 0.27 4.92 1.70 -1.26 -1.86 118.95 120.28 2k8r s ARG 28 Ca 0.08 -0.27 -0.15 0.00 -0.47 0.00 0.00 55.73 54.92 2k8r s ARG 28 Cb -0.02 -0.98 0.06 0.00 -0.57 0.00 0.00 34.95 33.44 2k8r s ARG 28 CO -0.03 0.04 0.77 -3.47 -1.08 0.00 0.00 175.30 171.53 2k8r n ASP 29 N 3.60 -1.81 -4.39 -2.89 -0.08 -1.26 -5.06 116.55 104.66 2k8r n ASP 29 Ca -0.21 -2.15 -0.45 0.00 -1.51 0.00 0.00 54.79 50.47 2k8r n ASP 29 Cb 0.53 2.99 -0.01 0.00 2.34 0.00 0.00 41.12 46.97 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 -2.06 3.99 -1.49 -0.67 6.06 -1.26 -4.55 118.95 118.97 2k8r s ARG 30 Ca 0.16 -2.72 -0.09 0.00 -2.50 0.00 0.00 55.73 50.58 2k8r s ARG 30 Cb -0.04 -4.72 0.06 0.00 0.06 0.00 0.00 34.95 30.31 2k8r s ARG 30 CO 0.08 -1.47 0.77 0.43 -2.50 0.00 0.00 175.30 172.61 2k8r n SER 31 N 4.25 -2.80 -2.22 -2.12 7.64 -1.26 -4.94 113.62 112.16 2k8r n SER 31 Ca 0.26 -0.88 -0.10 0.00 1.01 0.00 0.00 58.87 59.16 2k8r n SER 31 Cb 0.43 -3.53 -0.04 0.00 -1.01 0.00 0.00 64.21 60.06 2k8r n SER 31 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k8r n ASP 32 N -2.88 -0.00 0.00 6.43 8.00 -1.26 -4.01 116.55 122.82 2k8r n ASP 32 Ca -0.10 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.33 2k8r n ASP 32 Cb 0.59 0.74 0.00 0.00 -0.02 0.00 0.00 41.12 42.43 2k8r n ASP 32 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2k8r n GLN 33 N -0.34 0.00 -0.30 -1.24 0.00 -1.26 -4.70 117.38 109.54 2k8r n GLN 33 Ca 0.02 0.00 0.27 0.00 -0.00 0.00 0.00 57.00 57.29 2k8r n GLN 33 Cb 0.30 0.00 0.49 0.00 0.00 0.00 0.00 30.24 31.03 2k8r n GLN 33 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2k8r n HIS 34 N 0.00 0.99 0.00 3.69 -0.00 -1.22 -4.12 115.22 114.57 2k8r n HIS 34 Ca 0.00 1.09 0.00 0.00 -0.00 0.00 0.00 57.72 58.81 2k8r n HIS 34 Cb 0.00 -1.44 0.00 0.00 -0.00 0.00 0.00 29.99 28.55 2k8r n HIS 34 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2k8r n ILE 35 N -5.14 0.00 -3.65 3.57 5.41 -1.26 -5.04 119.36 113.26 2k8r n ILE 35 Ca 0.33 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 64.03 2k8r n ILE 35 Cb 1.10 -0.17 -0.07 0.00 -0.71 0.00 0.00 39.64 39.80 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 -1.52 0.17 -0.18 0.38 0.74 -1.26 -4.87 119.66 113.12 2k8r s GLN 36 Ca 0.00 0.20 -0.01 0.00 0.05 0.00 0.00 55.36 55.60 2k8r s GLN 36 Cb 0.00 0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.19 2k8r s GLN 36 CO 0.00 -0.02 -0.13 -1.17 -0.55 0.00 0.00 175.29 173.42 2k8r s LEU 37 N 0.09 2.54 -0.15 3.68 0.20 -1.23 0.19 118.68 124.00 2k8r s LEU 37 Ca 0.06 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.41 2k8r s LEU 37 Cb -0.05 -1.60 -0.00 0.00 -0.43 0.00 0.00 46.19 44.11 2k8r s LEU 37 CO -0.13 0.04 -0.15 -1.10 -0.29 0.00 0.00 176.35 174.71 2k8r s GLN 38 N 1.09 3.22 -0.29 1.98 -0.21 0.13 0.75 119.66 126.32 2k8r s GLN 38 Ca 0.00 -0.75 -0.01 0.00 0.02 0.00 0.00 55.36 54.63 2k8r s GLN 38 Cb -0.14 -2.62 0.09 0.00 1.00 0.00 0.00 33.01 31.33 2k8r s GLN 38 CO -0.04 0.03 0.08 -1.17 -2.12 0.00 0.00 175.29 172.07 2k8r s LEU 39 N 0.79 2.24 0.00 2.90 0.20 -1.25 0.17 118.68 123.73 2k8r s LEU 39 Ca -0.06 -1.54 0.00 0.00 0.69 0.00 0.00 54.13 53.23 2k8r s LEU 39 Cb -0.15 -0.88 0.00 0.00 -0.43 0.00 0.00 46.19 44.72 2k8r s LEU 39 CO 0.00 -0.39 0.00 -1.20 -0.29 0.00 0.00 176.35 174.47 2k8r n SER 40 N 4.84 0.00 -2.09 3.68 7.64 -0.79 -4.23 113.62 122.66 2k8r n SER 40 Ca -0.03 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.80 2k8r n SER 40 Cb 0.43 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.21 -3.76 -0.43 0.00 -1.26 -3.48 120.51 110.38 2k8r n ALA 41 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 2k8r n ALA 41 Cb 0.00 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.21 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 -3.45 1.32 0.59 0.00 0.41 -1.26 -4.65 118.70 111.65 2k8r s GLU 42 Ca 0.15 -0.71 -0.10 0.00 -0.41 0.00 0.00 54.97 53.90 2k8r s GLU 42 Cb -0.02 0.46 -0.04 0.00 -1.78 0.00 0.00 34.13 32.75 2k8r s GLU 42 CO 0.25 -0.60 0.97 -1.12 -0.49 0.00 0.00 175.26 174.27 2k8r s SER 43 N -2.90 6.23 -0.30 -0.19 0.01 -1.26 -4.85 113.70 110.44 2k8r s SER 43 Ca 0.11 1.30 -0.32 0.00 1.31 0.00 0.00 55.95 58.35 2k8r s SER 43 Cb -0.02 -2.41 -0.14 0.00 0.21 0.00 0.00 66.02 63.66 2k8r s SER 43 CO 0.02 -0.81 1.06 0.55 0.41 0.00 0.00 173.24 174.47 2k8r n VAL 44 N -2.64 0.00 0.00 3.43 3.14 -1.26 0.09 118.33 121.09 2k8r n VAL 44 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 2k8r n VAL 44 Cb 0.54 -0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.02 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 2.55 2.41 3.75 7.55 0.00 -1.26 -5.00 105.19 115.19 2k8r n GLY 45 Ca 0.20 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2k8r n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8r s GLU 46 N 0.00 4.48 -0.04 1.61 2.02 0.11 -1.93 118.70 124.95 2k8r s GLU 46 Ca 0.00 1.96 -0.04 0.00 0.02 0.00 0.00 54.97 56.90 2k8r s GLU 46 Cb 0.00 -3.19 0.01 0.00 0.10 0.00 0.00 34.13 31.06 2k8r s GLU 46 CO 0.00 -0.06 0.12 0.14 0.02 0.00 0.00 175.26 175.48 2k8r s VAL 47 N -0.50 0.00 -0.20 2.63 -7.23 0.15 -4.08 120.40 111.17 2k8r s VAL 47 Ca 0.51 -0.02 -0.05 0.00 -1.81 0.00 0.00 61.98 60.60 2k8r s VAL 47 Cb -0.35 -0.18 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 2k8r s VAL 47 CO 0.41 -0.01 -0.00 -0.47 -0.31 0.00 0.00 175.10 174.72 2k8r s TYR 48 N 0.02 3.05 -0.34 2.82 6.14 -1.23 -1.50 117.35 126.31 2k8r s TYR 48 Ca -0.00 -0.42 -0.11 0.00 0.64 0.00 0.00 57.07 57.18 2k8r s TYR 48 Cb -0.01 -2.07 0.00 0.00 0.42 0.00 0.00 41.96 40.30 2k8r s TYR 48 CO 0.00 -0.20 0.19 0.42 0.64 0.00 0.00 175.55 176.59 2k8r s ILE 49 N 0.92 4.71 -0.36 3.14 1.01 -1.26 -1.89 121.20 127.46 2k8r s ILE 49 Ca 0.01 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 2k8r s ILE 49 Cb -0.14 -3.48 0.04 0.00 0.01 0.00 0.00 42.46 38.88 2k8r s ILE 49 CO 0.02 -0.05 0.17 -0.75 0.00 0.00 0.00 174.94 174.33 2k8r s LYS 50 N 1.61 2.71 -0.36 2.79 2.47 0.46 -3.83 119.74 125.59 2k8r s LYS 50 Ca 0.04 -1.16 -0.20 0.00 -1.56 0.00 0.00 55.97 53.09 2k8r s LYS 50 Cb -0.18 -3.63 0.00 0.00 -1.46 0.00 0.00 37.83 32.57 2k8r s LYS 50 CO 0.07 -0.71 0.61 -1.54 0.16 0.00 0.00 175.35 173.94 2k8r s SER 51 N 1.54 6.39 0.04 1.43 1.04 -1.26 0.18 113.70 123.05 2k8r s SER 51 Ca 0.01 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2k8r s SER 51 Cb -0.20 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2k8r s SER 51 CO 0.05 -0.60 0.00 0.41 0.98 0.00 0.00 173.24 174.08 2k8r n THR 52 N 5.59 -1.58 -0.32 2.02 -1.04 0.50 -3.81 114.28 115.63 2k8r n THR 52 Ca -0.02 0.26 0.01 0.00 -2.04 0.00 0.00 64.05 62.26 2k8r n THR 52 Cb 0.49 -1.32 0.07 0.00 -1.82 0.00 0.00 70.33 67.75 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 0.30 -0.03 -2.74 -2.82 4.57 -1.88 -3.41 114.58 108.57 2k8r h GLU 53 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.06 2k8r h GLU 53 Cb 0.00 0.01 -0.25 0.00 -0.16 0.00 0.00 28.75 28.34 2k8r h GLU 53 CO 0.00 -0.02 -0.29 0.99 -1.18 0.00 0.00 179.01 178.51 2k8r s THR 54 N -6.10 -0.01 0.00 0.32 2.01 -1.26 -4.93 115.64 105.67 2k8r s THR 54 Ca -0.14 0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2k8r s THR 54 Cb 0.22 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 72.16 2k8r s THR 54 CO 0.73 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.29 2k8r n GLY 55 N 3.53 1.42 3.25 4.40 0.00 -1.26 -5.11 105.19 111.42 2k8r n GLY 55 Ca -0.18 0.00 -0.13 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 1.33 -0.29 1.61 -1.52 -1.25 -4.59 119.66 114.96 2k8r s GLN 56 Ca 0.00 -1.67 0.00 0.00 -1.95 0.00 0.00 55.36 51.74 2k8r s GLN 56 Cb 0.00 0.30 0.18 0.00 -0.22 0.00 0.00 33.01 33.27 2k8r s GLN 56 CO 0.00 -0.46 0.54 -0.47 -0.25 0.00 0.00 175.29 174.65 2k8r s TYR 57 N -4.01 -1.45 -0.14 0.91 6.14 0.46 -4.64 117.35 114.63 2k8r s TYR 57 Ca 0.38 1.31 -0.29 0.00 0.64 0.00 0.00 57.07 59.11 2k8r s TYR 57 Cb 0.06 0.35 -0.03 0.00 0.42 0.00 0.00 41.96 42.76 2k8r s TYR 57 CO 0.14 -0.89 1.38 -1.17 0.64 0.00 0.00 175.55 175.65 2k8r s LEU 58 N 2.76 4.21 0.03 6.97 1.98 -1.25 -2.88 118.68 130.52 2k8r s LEU 58 Ca 0.16 1.83 -0.05 0.00 -2.89 0.00 0.00 54.13 53.19 2k8r s LEU 58 Cb -0.14 -3.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.16 2k8r s LEU 58 CO -0.22 -0.82 0.09 0.00 -1.89 0.00 0.00 176.35 173.51 2k8r s ALA 59 N 3.68 -0.05 -0.27 5.97 0.00 0.32 -4.60 121.76 126.81 2k8r s ALA 59 Ca 0.60 -0.55 -0.12 0.00 0.00 0.00 0.00 51.96 51.89 2k8r s ALA 59 Cb -0.25 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 2k8r s ALA 59 CO 0.19 -0.30 0.25 0.00 0.00 0.00 0.00 175.76 175.89 2k8r s MET 60 N -2.50 3.98 0.39 0.00 0.23 -1.22 -0.62 119.30 119.57 2k8r s MET 60 Ca -0.06 -0.20 -0.25 0.00 -1.03 0.00 0.00 55.69 54.15 2k8r s MET 60 Cb -0.02 -3.65 -0.09 0.00 -1.53 0.00 0.00 34.83 29.55 2k8r s MET 60 CO -0.04 -0.19 1.15 0.34 -2.03 0.00 0.00 175.02 174.25 2k8r s ASP 61 N 1.66 6.60 0.46 -1.18 -1.08 0.32 -4.87 116.67 118.57 2k8r s ASP 61 Ca 0.10 2.31 0.24 0.00 -0.52 0.00 0.00 52.55 54.68 2k8r s ASP 61 Cb -0.16 -2.61 1.26 0.00 -1.46 0.00 0.00 42.92 39.96 2k8r s ASP 61 CO 0.10 -0.62 1.83 0.00 0.52 0.00 0.00 175.17 177.00 2k8r h THR 62 N 2.37 0.55 0.00 1.71 1.03 -1.98 0.64 112.91 117.22 2k8r h THR 62 Ca -0.49 -0.08 -0.03 0.00 -0.01 0.00 0.00 66.41 65.81 2k8r h THR 62 Cb 1.23 0.29 -0.00 0.00 -1.07 0.00 0.00 68.15 68.60 2k8r h THR 62 CO 0.63 0.04 -0.12 -0.78 -0.01 0.00 0.00 175.52 175.28 2k8r h ASP 63 N 0.24 0.00 0.00 0.00 1.82 -2.03 -3.46 116.42 112.98 2k8r h ASP 63 Ca 0.52 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.16 2k8r h ASP 63 Cb 1.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.61 2k8r h ASP 63 CO -0.15 0.12 0.00 0.61 -1.61 0.00 0.00 179.24 178.21 2k8r n GLY 64 N 0.15 1.05 3.71 -0.78 0.00 0.22 -3.97 105.19 105.59 2k8r n GLY 64 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 4.38 -0.29 0.99 1.98 -1.23 -4.11 118.68 120.40 2k8r s LEU 65 Ca 0.00 1.70 -0.19 0.00 -2.89 0.00 0.00 54.13 52.75 2k8r s LEU 65 Cb 0.00 -3.57 -0.02 0.00 0.66 0.00 0.00 46.19 43.26 2k8r s LEU 65 CO 0.00 -0.26 0.57 -0.76 -1.89 0.00 0.00 176.35 174.01 2k8r s LEU 66 N 0.90 4.14 0.08 -0.68 1.02 -1.26 0.12 118.68 123.00 2k8r s LEU 66 Ca 0.52 0.40 0.06 0.00 0.02 0.00 0.00 54.13 55.13 2k8r s LEU 66 Cb -0.22 -2.73 -0.03 0.00 0.02 0.00 0.00 46.19 43.23 2k8r s LEU 66 CO 0.28 -0.41 -0.17 -0.72 0.02 0.00 0.00 176.35 175.35 2k8r s TYR 67 N 2.47 1.48 -0.93 0.29 1.13 0.21 -4.41 117.35 117.58 2k8r s TYR 67 Ca 0.23 -0.43 0.16 0.00 -1.41 0.00 0.00 57.07 55.61 2k8r s TYR 67 Cb -0.15 -0.83 0.53 0.00 -1.10 0.00 0.00 41.96 40.41 2k8r s TYR 67 CO 0.11 0.12 1.45 0.41 -2.51 0.00 0.00 175.55 175.13 2k8r n GLY 68 N 1.26 3.01 3.73 5.49 0.00 -1.25 0.12 105.19 117.55 2k8r n GLY 68 Ca -0.20 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.17 6.53 -0.57 1.61 0.01 -1.14 0.17 113.70 119.16 2k8r s SER 69 Ca 0.39 2.72 -0.28 0.00 1.31 0.00 0.00 55.95 60.09 2k8r s SER 69 Cb 0.25 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.77 2k8r s SER 69 CO 0.19 -0.84 2.45 1.67 0.41 0.00 0.00 173.24 177.12 2k8r n GLN 70 N 3.37 0.89 -3.23 12.44 0.00 -1.26 -4.07 117.38 125.52 2k8r n GLN 70 Ca 0.12 0.05 -0.02 0.00 -0.00 0.00 0.00 57.00 57.15 2k8r n GLN 70 Cb 0.38 -2.98 -0.02 0.00 0.00 0.00 0.00 30.24 27.62 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 11.02 -0.90 0.20 1.69 2.01 -1.26 -4.94 115.64 123.45 2k8r s THR 71 Ca 1.07 -0.16 -0.32 0.00 0.31 0.00 0.00 61.69 62.59 2k8r s THR 71 Cb -0.45 -0.10 -0.12 0.00 0.01 0.00 0.00 72.50 71.85 2k8r s THR 71 CO 0.33 -0.09 1.72 -2.16 -0.69 0.00 0.00 174.62 173.74 2k8r s PRO 72 N 1.77 4.13 -0.20 4.92 0.04 -1.26 -4.93 135.00 139.46 2k8r s PRO 72 Ca 0.16 2.59 -0.33 0.00 0.04 0.00 0.00 61.00 63.46 2k8r s PRO 72 Cb -0.06 -3.14 0.15 0.00 0.04 0.00 0.00 34.50 31.50 2k8r s PRO 72 CO -0.06 -0.75 1.21 1.21 0.04 0.00 0.00 177.00 178.65 2k8r s ASN 73 N 1.34 -0.14 0.54 6.66 2.47 -1.26 -5.02 114.94 119.53 2k8r s ASN 73 Ca 0.75 0.05 0.30 0.00 0.42 0.00 0.00 52.86 54.39 2k8r s ASN 73 Cb -0.49 0.14 1.47 0.00 -1.45 0.00 0.00 41.25 40.92 2k8r s ASN 73 CO 0.32 -0.21 1.91 -0.33 -3.72 0.00 0.00 177.10 175.07 2k8r h GLU 74 N 2.08 0.00 0.00 0.43 5.08 -2.00 -0.11 114.58 120.05 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 0.00 0.40 0.93 -1.00 0.00 0.00 179.01 179.58 2k8r h GLU 75 N 0.00 0.00 0.00 2.33 4.39 -1.95 0.42 114.58 119.77 2k8r h GLU 75 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2k8r h GLU 75 Cb 1.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 2k8r h GLU 75 CO -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.84 2k8r s LEU 77 N -3.25 3.54 0.30 0.00 2.01 0.15 -4.28 118.68 117.15 2k8r s LEU 77 Ca 0.09 0.67 0.09 0.00 0.01 0.00 0.00 54.13 55.00 2k8r s LEU 77 Cb 0.13 -3.41 -0.04 0.00 0.01 0.00 0.00 46.19 42.87 2k8r s LEU 77 CO 0.38 -1.51 0.04 -0.36 1.01 0.00 0.00 176.35 175.91 2k8r s PHE 78 N 5.62 2.66 -0.26 0.29 0.08 -0.56 -3.02 117.98 122.79 2k8r s PHE 78 Ca 0.59 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.36 2k8r s PHE 78 Cb -0.13 -1.38 0.06 0.00 -0.57 0.00 0.00 43.02 41.01 2k8r s PHE 78 CO 0.31 0.51 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.66 2k8r s LEU 79 N -3.73 3.40 -0.53 -0.37 1.98 -0.97 0.30 118.68 118.76 2k8r s LEU 79 Ca 0.34 -1.39 -0.20 0.00 -2.89 0.00 0.00 54.13 49.99 2k8r s LEU 79 Cb -0.04 -1.53 0.06 0.00 0.66 0.00 0.00 46.19 45.34 2k8r s LEU 79 CO 0.20 -0.19 0.72 -0.70 -1.89 0.00 0.00 176.35 174.50 2k8r s GLU 80 N 1.11 3.16 -0.69 1.98 2.12 -0.81 -2.01 118.70 123.56 2k8r s GLU 80 Ca -0.09 -0.79 -0.16 0.00 0.36 0.00 0.00 54.97 54.29 2k8r s GLU 80 Cb -0.20 -4.11 0.15 0.00 0.26 0.00 0.00 34.13 30.23 2k8r s GLU 80 CO -0.05 -1.35 0.71 0.50 -0.54 0.00 0.00 175.26 174.53 2k8r s ARG 81 N 3.01 3.28 -0.15 4.30 3.52 0.24 -4.75 118.95 128.40 2k8r s ARG 81 Ca 0.19 -1.87 -0.07 0.00 -0.13 0.00 0.00 55.73 53.84 2k8r s ARG 81 Cb -0.18 -4.40 -0.04 0.00 -1.56 0.00 0.00 34.95 28.77 2k8r s ARG 81 CO 0.13 -1.42 0.11 -1.17 -0.81 0.00 0.00 175.30 172.14 2k8r s LEU 82 N 1.50 4.17 0.00 -0.88 2.96 -1.26 0.35 118.68 125.53 2k8r s LEU 82 Ca 0.13 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 2k8r s LEU 82 Cb -0.19 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.46 2k8r s LEU 82 CO -0.02 0.31 0.00 1.21 -1.32 0.00 0.00 176.35 176.53 2k8r n GLU 83 N 2.67 0.00 0.00 1.98 2.13 -1.18 -5.03 120.64 121.21 2k8r n GLU 83 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 2k8r n GLU 83 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 2k8r n GLU 83 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2k8r n GLU 84 N -0.71 0.00 -0.51 5.31 0.28 -1.26 -5.02 120.64 118.74 2k8r n GLU 84 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 2k8r n GLU 84 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 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 -0.43 3.22 -4.39 -1.84 5.15 -1.26 -4.51 115.26 111.20 2k8r n ASN 85 Ca 0.00 -2.14 -0.36 0.00 -0.60 0.00 0.00 54.58 51.47 2k8r n ASN 85 Cb 0.00 -0.84 -0.08 0.00 -0.53 0.00 0.00 39.78 38.33 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 3.96 -1.29 -3.55 1.20 1.44 -1.26 -4.91 115.22 110.81 2k8r n HIS 86 Ca 0.28 0.67 -0.15 0.00 -2.01 0.00 0.00 57.72 56.52 2k8r n HIS 86 Cb 0.17 -2.46 -0.05 0.00 0.12 0.00 0.00 29.99 27.77 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 -3.74 -0.49 0.30 -1.40 -0.85 -1.26 -4.64 117.35 105.26 2k8r s TYR 87 Ca 0.45 0.61 -0.09 0.00 -0.52 0.00 0.00 57.07 57.52 2k8r s TYR 87 Cb -0.26 0.38 0.00 0.00 0.38 0.00 0.00 41.96 42.47 2k8r s TYR 87 CO 1.00 -0.66 0.50 0.54 -1.52 0.00 0.00 175.55 175.41 2k8r s ASN 88 N -1.87 0.32 -0.00 -0.18 2.20 -0.15 -3.09 114.94 112.16 2k8r s ASN 88 Ca -0.06 -1.19 0.00 0.00 -0.94 0.00 0.00 52.86 50.67 2k8r s ASN 88 Cb -0.01 0.64 0.01 0.00 -2.00 0.00 0.00 41.25 39.89 2k8r s ASN 88 CO -0.00 -1.25 0.00 0.42 -2.94 0.00 0.00 177.10 173.33 2k8r s THR 89 N -3.47 -0.00 -0.19 0.54 -4.23 0.16 -3.33 115.64 105.12 2k8r s THR 89 Ca 0.25 0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.77 2k8r s THR 89 Cb -0.01 -0.03 -0.02 0.00 1.34 0.00 0.00 72.50 73.78 2k8r s THR 89 CO 0.14 0.02 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.88 2k8r s TYR 90 N 0.22 2.96 0.20 3.99 2.02 -1.26 0.80 117.35 126.28 2k8r s TYR 90 Ca -0.02 -0.66 0.10 0.00 -0.37 0.00 0.00 57.07 56.12 2k8r s TYR 90 Cb -0.03 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 2k8r s TYR 90 CO -0.01 -0.33 -0.20 0.96 -1.57 0.00 0.00 175.55 174.40 2k8r s ILE 91 N 0.98 2.11 -0.38 2.71 -4.36 -0.85 -3.60 121.20 117.81 2k8r s ILE 91 Ca 0.00 -2.08 -0.27 0.00 -0.26 0.00 0.00 60.65 58.04 2k8r s ILE 91 Cb -0.15 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.47 2k8r s ILE 91 CO 0.01 -0.30 2.23 -0.44 0.24 0.00 0.00 174.94 176.68 2k8r s SER 92 N -2.90 5.05 0.01 4.36 0.01 -1.26 -2.29 113.70 116.68 2k8r s SER 92 Ca 0.21 1.37 -0.26 0.00 1.31 0.00 0.00 55.95 58.57 2k8r s SER 92 Cb -0.06 -2.51 -0.15 0.00 0.21 0.00 0.00 66.02 63.51 2k8r s SER 92 CO 0.09 -2.36 1.15 0.50 0.41 0.00 0.00 173.24 173.03 2k8r h LYS 93 N 16.75 -0.74 -0.72 12.44 3.11 -1.84 -2.87 116.57 142.70 2k8r h LYS 93 Ca -0.32 0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 57.55 2k8r h LYS 93 Cb 1.24 0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 32.60 2k8r h LYS 93 CO 1.07 -0.44 0.36 -0.22 -2.81 0.00 0.00 179.45 177.42 2k8r h LYS 94 N -1.08 1.02 -2.20 1.90 3.64 -1.86 -3.01 116.57 114.99 2k8r h LYS 94 Ca -0.08 -0.14 -0.69 0.00 -1.27 0.00 0.00 60.65 58.47 2k8r h LYS 94 Cb 0.65 -0.19 -0.21 0.00 -0.41 0.00 0.00 32.23 32.07 2k8r h LYS 94 CO 0.13 0.79 1.17 0.72 -2.27 0.00 0.00 179.45 179.99 2k8r n HIS 95 N -4.45 2.44 -0.26 1.91 8.25 -1.23 -4.74 115.22 117.15 2k8r n HIS 95 Ca 0.06 -2.38 0.06 0.00 -0.26 0.00 0.00 57.72 55.20 2k8r n HIS 95 Cb 0.12 -1.40 0.19 0.00 1.12 0.00 0.00 29.99 30.02 2k8r n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k8r h ALA 96 N 3.63 1.07 -0.99 -1.41 0.00 -1.36 0.72 119.26 120.92 2k8r h ALA 96 Ca 0.54 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.64 2k8r h ALA 96 Cb 0.36 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2k8r h ALA 96 CO 1.23 -0.24 0.64 0.93 0.00 0.00 0.00 179.25 181.80 2k8r h GLU 97 N 0.41 1.13 -2.20 0.00 4.39 -1.87 -2.83 114.58 113.60 2k8r h GLU 97 Ca 0.42 -0.07 -0.70 0.00 0.34 0.00 0.00 59.36 59.36 2k8r h GLU 97 Cb 0.67 -0.25 -0.34 0.00 -0.10 0.00 0.00 28.75 28.72 2k8r h GLU 97 CO -0.43 0.75 0.21 1.63 -1.16 0.00 0.00 179.01 180.01 2k8r n LYS 98 N -4.49 4.20 -2.72 2.33 5.02 0.20 -5.02 118.16 117.68 2k8r n LYS 98 Ca 0.15 -4.67 -0.42 0.00 -2.02 0.00 0.00 58.31 51.35 2k8r n LYS 98 Cb 0.18 -2.34 -0.03 0.00 -0.02 0.00 0.00 35.03 32.81 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 -2.38 7.24 0.10 4.39 4.22 -0.95 -4.73 114.94 122.84 2k8r s ASN 99 Ca 0.45 1.52 0.03 0.00 -2.14 0.00 0.00 52.86 52.72 2k8r s ASN 99 Cb 0.26 -2.55 -0.04 0.00 1.28 0.00 0.00 41.25 40.21 2k8r s ASN 99 CO -0.16 -0.39 -0.09 0.26 -2.04 0.00 0.00 177.10 174.68 2k8r s TRP 100 N 1.76 1.01 -0.07 1.54 0.52 -1.26 -4.91 118.94 117.54 2k8r s TRP 100 Ca 0.48 -0.69 -0.25 0.00 0.02 0.00 0.00 56.10 55.66 2k8r s TRP 100 Cb -0.19 -0.56 -0.03 0.00 -1.15 0.00 0.00 33.47 31.54 2k8r s TRP 100 CO 0.20 -0.03 0.80 -0.06 0.02 0.00 0.00 176.95 177.88 2k8r s PHE 101 N -2.60 3.57 0.00 -1.98 0.08 -1.26 -4.20 117.98 111.59 2k8r s PHE 101 Ca 0.06 1.37 0.00 0.00 0.12 0.00 0.00 56.93 58.47 2k8r s PHE 101 Cb -0.02 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.51 2k8r s PHE 101 CO -0.01 -0.00 0.00 1.33 -0.10 0.00 0.00 175.22 176.44 2k8r n VAL 102 N 3.99 0.00 0.00 -0.44 0.24 -1.24 -4.66 118.33 116.23 2k8r n VAL 102 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2k8r n VAL 102 Cb 0.51 -0.90 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 2.73 3.16 3.40 7.63 0.00 -1.26 -4.42 105.19 116.44 2k8r n GLY 103 Ca 0.00 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 2k8r n GLY 103 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k8r n LEU 104 N 0.00 0.00 -4.11 0.99 -0.00 -1.26 -0.94 117.00 111.67 2k8r n LEU 104 Ca 0.00 -2.30 -0.23 0.00 -0.00 0.00 0.00 56.01 53.48 2k8r n LEU 104 Cb 0.00 -0.27 -0.15 0.00 -0.00 0.00 0.00 43.42 43.00 2k8r n LEU 104 CO 0.00 -0.64 -0.48 -0.75 -0.00 0.00 0.00 177.39 175.52 2k8r s LYS 105 N -4.21 1.24 0.42 1.47 2.47 0.31 -4.79 119.74 116.65 2k8r s LYS 105 Ca 0.45 -0.52 0.28 0.00 -1.56 0.00 0.00 55.97 54.62 2k8r s LYS 105 Cb -0.04 -1.18 1.41 0.00 -1.46 0.00 0.00 37.83 36.57 2k8r s LYS 105 CO 0.29 0.30 1.60 1.57 0.16 0.00 0.00 175.35 179.27 2k8r h LYS 106 N 5.85 0.06 -1.04 4.03 2.10 -1.89 0.59 116.57 126.28 2k8r h LYS 106 Ca -0.35 -0.00 0.28 0.00 -2.00 0.00 0.00 60.65 58.58 2k8r h LYS 106 Cb 1.16 -0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 32.41 2k8r h LYS 106 CO 0.49 0.04 0.70 -0.97 -2.00 0.00 0.00 179.45 177.71 2k8r h ASN 107 N 0.06 0.24 0.00 7.07 -0.73 -1.98 -3.39 115.58 116.86 2k8r h ASN 107 Ca 0.84 0.04 0.00 0.00 1.87 0.00 0.00 56.30 59.05 2k8r h ASN 107 Cb 2.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 41.13 2k8r h ASN 107 CO -0.52 0.06 0.00 0.61 -0.37 0.00 0.00 177.43 177.21 2k8r n GLY 108 N -1.60 0.92 3.20 1.57 0.00 0.20 -5.02 105.19 104.46 2k8r n GLY 108 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 2k8r n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k8r s SER 109 N -1.30 -0.17 -0.21 1.61 0.01 -1.12 -4.92 113.70 107.60 2k8r s SER 109 Ca 0.00 0.13 -0.08 0.00 1.31 0.00 0.00 55.95 57.30 2k8r s SER 109 Cb 0.00 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.54 2k8r s SER 109 CO 0.00 -0.36 0.09 0.00 0.41 0.00 0.00 173.24 173.38 2k8r s LYS 111 N 0.83 2.46 0.19 0.00 -0.14 -0.12 -4.79 119.74 118.17 2k8r s LYS 111 Ca 0.05 -1.83 0.00 0.00 -1.36 0.00 0.00 55.97 52.83 2k8r s LYS 111 Cb -0.13 -3.90 0.00 0.00 -1.68 0.00 0.00 37.83 32.12 2k8r s LYS 111 CO 0.02 -1.19 0.00 -2.13 -0.76 0.00 0.00 175.35 171.30 2k8r n ARG 112 N 4.79 0.00 0.00 1.68 0.00 -1.26 -4.27 116.66 117.59 2k8r n ARG 112 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2k8r n ARG 112 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 32.46 32.79 2k8r n ARG 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k8r n GLY 113 N 1.80 -2.18 0.35 5.14 0.00 -1.25 -3.86 105.19 105.18 2k8r n GLY 113 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2k8r n GLY 113 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k8r n PRO 114 N -1.89 -0.21 -3.57 1.61 -0.02 -1.26 -4.64 135.00 125.03 2k8r n PRO 114 Ca 0.00 1.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.88 2k8r n PRO 114 Cb 0.00 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 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 -5.86 0.22 -0.23 -0.52 3.52 -1.25 -5.15 118.95 109.67 2k8r s ARG 115 Ca -0.12 0.41 -0.03 0.00 -0.13 0.00 0.00 55.73 55.85 2k8r s ARG 115 Cb 0.19 0.10 0.12 0.00 -1.56 0.00 0.00 34.95 33.80 2k8r s ARG 115 CO 0.65 -0.05 0.34 -0.08 -0.81 0.00 0.00 175.30 175.34 2k8r s THR 116 N 1.46 -0.53 0.03 4.11 -1.32 -1.25 -4.44 115.64 113.70 2k8r s THR 116 Ca -0.07 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 2k8r s THR 116 Cb -0.03 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 2k8r s THR 116 CO -0.14 -0.13 0.00 1.41 -2.21 0.00 0.00 174.62 173.55 2k8r n HIS 117 N 5.35 -1.29 -3.15 9.09 8.25 -1.26 -4.51 115.22 127.70 2k8r n HIS 117 Ca -0.04 0.11 -0.35 0.00 -0.26 0.00 0.00 57.72 57.18 2k8r n HIS 117 Cb 0.50 0.47 -0.06 0.00 1.12 0.00 0.00 29.99 32.02 2k8r n HIS 117 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2k8r s TYR 118 N -2.00 3.61 0.00 4.41 2.02 -1.26 -4.81 117.35 119.32 2k8r s TYR 118 Ca 0.00 1.31 0.00 0.00 -0.37 0.00 0.00 57.07 58.01 2k8r s TYR 118 Cb 0.00 -2.56 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 2k8r s TYR 118 CO 0.00 0.32 0.00 0.41 -1.57 0.00 0.00 175.55 174.71 2k8r n GLY 119 N 0.60 0.09 0.43 0.71 0.00 -1.26 -4.58 105.19 101.18 2k8r n GLY 119 Ca -0.02 -1.16 0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 0.07 -0.89 1.61 4.20 -1.93 0.42 115.11 118.59 2k8r h GLN 120 Ca 0.00 -0.00 0.26 0.00 0.06 0.00 0.00 58.65 58.96 2k8r h GLN 120 Cb 0.00 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2k8r h GLN 120 CO 0.00 0.05 0.72 1.57 -0.67 0.00 0.00 178.83 180.50 2k8r h LYS 121 N 0.08 0.00 0.00 1.46 5.09 -1.87 0.56 116.57 121.88 2k8r h LYS 121 Ca 0.83 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.57 2k8r h LYS 121 Cb 2.49 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.82 2k8r h LYS 121 CO -0.51 0.00 -0.31 0.00 -2.09 0.00 0.00 179.45 176.54 2k8r h ALA 122 N 1.39 0.83 -0.43 0.07 0.00 -0.36 -3.39 119.26 117.38 2k8r h ALA 122 Ca 0.42 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.09 2k8r h ALA 122 Cb 1.87 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 19.30 2k8r h ALA 122 CO -0.00 0.00 -1.00 -0.89 0.00 0.00 0.00 179.25 177.36 2k8r n ILE 123 N -2.79 1.04 -3.00 0.00 -0.00 0.16 -4.53 119.36 110.23 2k8r n ILE 123 Ca 0.03 -2.64 -0.17 0.00 -0.00 0.00 0.00 62.75 59.97 2k8r n ILE 123 Cb 0.51 1.18 -0.02 0.00 -0.00 0.00 0.00 39.64 41.32 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 -0.67 -1.14 -4.51 1.39 7.94 0.69 -4.86 117.00 115.84 2k8r n LEU 124 Ca 0.04 -4.10 -0.34 0.00 -1.11 0.00 0.00 56.01 50.50 2k8r n LEU 124 Cb 0.81 0.72 -0.12 0.00 0.53 0.00 0.00 43.42 45.37 2k8r n LEU 124 CO 0.06 2.04 -0.34 -0.36 -1.11 0.00 0.00 177.39 177.68 2k8r s PHE 125 N -0.37 3.05 -0.43 1.96 0.08 -1.21 -3.09 117.98 117.97 2k8r s PHE 125 Ca 0.34 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 57.09 2k8r s PHE 125 Cb 0.19 -1.99 0.12 0.00 -0.57 0.00 0.00 43.02 40.77 2k8r s PHE 125 CO -0.17 -0.04 0.22 -1.17 -0.10 0.00 0.00 175.22 173.96 2k8r s LEU 126 N 0.45 5.19 0.21 -0.37 2.96 0.41 -0.98 118.68 126.55 2k8r s LEU 126 Ca -0.03 -2.16 0.04 0.00 -0.22 0.00 0.00 54.13 51.76 2k8r s LEU 126 Cb -0.14 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2k8r s LEU 126 CO 0.02 -0.50 0.34 -2.16 -1.32 0.00 0.00 176.35 172.73 2k8r s PRO 127 N 0.94 3.44 0.44 0.98 0.04 -1.26 0.58 135.00 140.17 2k8r s PRO 127 Ca 0.10 -0.69 -0.25 0.00 0.04 0.00 0.00 61.00 60.20 2k8r s PRO 127 Cb -0.22 -2.91 -0.08 0.00 0.04 0.00 0.00 34.50 31.33 2k8r s PRO 127 CO -0.04 0.45 1.31 -1.17 0.04 0.00 0.00 177.00 177.59 2k8r s LEU 128 N -3.74 4.11 0.62 -3.56 2.96 -0.74 -4.89 118.68 113.45 2k8r s LEU 128 Ca 0.34 2.66 0.32 0.00 -0.22 0.00 0.00 54.13 57.23 2k8r s LEU 128 Cb -0.10 -4.02 1.76 0.00 0.50 0.00 0.00 46.19 44.33 2k8r s LEU 128 CO 0.29 -1.02 2.08 -0.65 -1.32 0.00 0.00 176.35 175.73 2k8r h PRO 129 N 2.34 0.00 -5.57 0.98 0.11 -1.98 -3.41 132.00 124.47 2k8r h PRO 129 Ca -0.50 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.23 2k8r h PRO 129 Cb 1.26 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 2k8r h PRO 129 CO 0.61 0.00 1.34 0.14 -0.21 0.00 0.00 178.00 179.88 2k8r s VAL 130 N -4.43 3.01 0.33 3.15 -7.23 -1.26 -4.86 120.40 109.12 2k8r s VAL 130 Ca -0.04 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.09 2k8r s VAL 130 Cb 0.13 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 34.06 2k8r s VAL 130 CO 0.46 -0.02 0.48 -0.44 -0.31 0.00 0.00 175.10 175.27 2k8r s SER 131 N 11.96 0.77 -0.41 4.85 0.01 -1.26 -4.66 113.70 124.96 2k8r s SER 131 Ca 0.96 -1.42 -0.10 0.00 1.31 0.00 0.00 55.95 56.70 2k8r s SER 131 Cb -0.16 0.66 0.06 0.00 0.21 0.00 0.00 66.02 66.79 2k8r s SER 131 CO 0.23 -1.29 0.26 -0.44 0.41 0.00 0.00 173.24 172.40 2k8r s SER 132 N -3.21 5.70 0.00 2.44 0.01 -1.26 -4.90 113.70 112.48 2k8r s SER 132 Ca 0.29 -1.36 0.28 0.00 1.31 0.00 0.00 55.95 56.47 2k8r s SER 132 Cb -0.00 -2.01 1.04 0.00 0.21 0.00 0.00 66.02 65.26 2k8r s SER 132 CO 0.19 -0.51 1.74 -0.67 0.41 0.00 0.00 173.24 174.40