#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8i s LYS 2 N 0.00 2.36 -0.12 3.17 -2.85 -1.26 -4.69 119.74 116.35 2k8i s LYS 2 Ca 0.00 -1.79 -0.22 0.00 -1.00 0.00 0.00 55.97 52.96 2k8i s LYS 2 Cb 0.00 -2.25 -0.03 0.00 -2.06 0.00 0.00 37.83 33.49 2k8i s LYS 2 CO 0.00 -0.44 0.65 0.54 0.10 0.00 0.00 175.35 176.20 2k8i s VAL 3 N -2.64 5.05 0.30 1.79 0.11 -0.88 -4.93 120.40 119.21 2k8i s VAL 3 Ca 0.43 1.30 -0.11 0.00 -2.93 0.00 0.00 61.98 60.67 2k8i s VAL 3 Cb -0.02 -3.98 0.04 0.00 -1.53 0.00 0.00 36.38 30.89 2k8i s VAL 3 CO 0.25 0.21 0.60 0.00 -3.33 0.00 0.00 175.10 172.83 2k8i n ALA 4 N 4.24 -1.30 -1.45 1.54 0.00 -1.26 -2.29 120.51 119.99 2k8i n ALA 4 Ca -0.02 -1.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.06 2k8i n ALA 4 Cb 0.51 0.80 0.07 0.00 0.00 0.00 0.00 19.45 20.83 2k8i n ALA 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2k8i n LYS 5 N -0.42 0.63 -0.19 0.00 4.81 -1.26 -1.63 118.16 120.10 2k8i n LYS 5 Ca -0.06 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2k8i n LYS 5 Cb 0.46 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.32 2k8i n LYS 5 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k8i n ASP 6 N -1.31 0.00 -4.42 3.14 9.92 0.41 -4.90 116.55 119.38 2k8i n ASP 6 Ca 0.13 0.00 -0.44 0.00 -0.53 0.00 0.00 54.79 53.95 2k8i n ASP 6 Cb 0.49 -1.67 -0.06 0.00 -0.64 0.00 0.00 41.12 39.23 2k8i n ASP 6 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k8i s LEU 7 N 0.00 5.21 0.41 0.64 1.43 -0.65 -3.14 118.68 122.58 2k8i s LEU 7 Ca 0.00 -1.09 -0.26 0.00 -1.03 0.00 0.00 54.13 51.75 2k8i s LEU 7 Cb 0.00 -2.36 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 2k8i s LEU 7 CO 0.00 -0.85 1.31 0.54 0.23 0.00 0.00 176.35 177.58 2k8i s VAL 8 N 2.35 2.60 0.04 -1.59 0.11 -0.43 -3.78 120.40 119.69 2k8i s VAL 8 Ca 0.12 0.53 -0.08 0.00 -2.93 0.00 0.00 61.98 59.62 2k8i s VAL 8 Cb -0.21 -3.31 -0.00 0.00 -1.53 0.00 0.00 36.38 31.32 2k8i s VAL 8 CO 0.10 0.08 0.15 0.68 -3.33 0.00 0.00 175.10 172.77 2k8i s VAL 9 N -1.27 0.12 -0.18 2.04 -7.23 -1.15 -0.18 120.40 112.54 2k8i s VAL 9 Ca 0.57 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.76 2k8i s VAL 9 Cb -0.38 -0.91 0.02 0.00 0.56 0.00 0.00 36.38 35.67 2k8i s VAL 9 CO 0.49 -0.55 -0.19 -0.44 -0.31 0.00 0.00 175.10 174.10 2k8i s SER 10 N -2.12 3.21 0.01 4.85 0.01 -0.06 -3.11 113.70 116.48 2k8i s SER 10 Ca -0.05 -0.70 -0.02 0.00 1.31 0.00 0.00 55.95 56.49 2k8i s SER 10 Cb -0.01 -1.46 -0.01 0.00 0.21 0.00 0.00 66.02 64.75 2k8i s SER 10 CO -0.04 -0.02 0.02 -1.48 0.41 0.00 0.00 173.24 172.12 2k8i s LEU 11 N 1.29 2.03 0.17 2.44 0.05 -0.72 -0.76 118.68 123.17 2k8i s LEU 11 Ca 0.04 -0.33 -0.00 0.00 0.05 0.00 0.00 54.13 53.89 2k8i s LEU 11 Cb -0.14 0.22 -0.04 0.00 -2.05 0.00 0.00 46.19 44.18 2k8i s LEU 11 CO -0.12 -0.26 0.34 0.00 -0.55 0.00 0.00 176.35 175.77 2k8i s ALA 12 N -1.15 3.88 0.10 1.48 0.00 0.41 -0.14 121.76 126.34 2k8i s ALA 12 Ca -0.13 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 2k8i s ALA 12 Cb -0.08 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.11 2k8i s ALA 12 CO -0.00 0.52 0.22 1.52 0.00 0.00 0.00 175.76 178.02 2k8i s TYR 13 N -1.78 0.13 -0.11 0.00 1.13 -0.67 0.14 117.35 116.19 2k8i s TYR 13 Ca 0.37 -0.55 -0.01 0.00 -1.41 0.00 0.00 57.07 55.47 2k8i s TYR 13 Cb -0.11 -0.03 0.03 0.00 -1.10 0.00 0.00 41.96 40.75 2k8i s TYR 13 CO 0.28 -0.57 -0.03 -1.14 -2.51 0.00 0.00 175.55 171.58 2k8i s GLN 14 N -3.86 1.04 -0.21 -3.49 0.74 -0.58 -0.50 119.66 112.81 2k8i s GLN 14 Ca 0.06 -0.16 -0.06 0.00 0.05 0.00 0.00 55.36 55.25 2k8i s GLN 14 Cb 0.04 -1.44 -0.03 0.00 1.10 0.00 0.00 33.01 32.68 2k8i s GLN 14 CO -0.10 -0.34 0.03 0.54 -0.55 0.00 0.00 175.29 174.87 2k8i s VAL 15 N 1.82 4.21 0.14 1.34 0.11 0.33 -0.65 120.40 127.70 2k8i s VAL 15 Ca 0.04 -0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 58.86 2k8i s VAL 15 Cb -0.13 -2.92 -0.04 0.00 -1.53 0.00 0.00 36.38 31.75 2k8i s VAL 15 CO -0.07 0.41 0.06 0.00 -3.33 0.00 0.00 175.10 172.17 2k8i s ARG 16 N 1.05 0.95 0.96 1.54 1.70 0.11 -0.32 118.95 124.94 2k8i s ARG 16 Ca 0.03 -1.46 -0.15 0.00 -0.47 0.00 0.00 55.73 53.69 2k8i s ARG 16 Cb -0.14 0.24 0.21 0.00 -0.57 0.00 0.00 34.95 34.68 2k8i s ARG 16 CO 0.02 -0.27 1.31 0.95 -1.08 0.00 0.00 175.30 176.23 2k8i s THR 17 N -4.05 2.01 -0.76 4.99 -4.23 -0.80 0.79 115.64 113.58 2k8i s THR 17 Ca 0.25 -0.07 0.14 0.00 -1.18 0.00 0.00 61.69 60.83 2k8i s THR 17 Cb 0.07 -2.93 0.13 0.00 1.34 0.00 0.00 72.50 71.12 2k8i s THR 17 CO 0.03 0.00 1.43 -0.62 -0.54 0.00 0.00 174.62 174.92 2k8i n GLU 18 N -3.72 0.06 0.20 3.99 1.02 -1.25 -1.12 120.64 119.82 2k8i n GLU 18 Ca 0.16 0.41 0.12 0.00 -0.02 0.00 0.00 57.16 57.83 2k8i n GLU 18 Cb 0.59 -1.65 0.19 0.00 -0.02 0.00 0.00 31.44 30.55 2k8i n GLU 18 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2k8i h ASP 19 N 0.00 0.00 0.00 1.62 3.58 -1.93 -3.47 116.42 116.22 2k8i h ASP 19 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k8i h ASP 19 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2k8i h ASP 19 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2k8i n GLY 20 N 1.13 2.52 3.73 -0.78 0.00 -0.27 -5.06 105.19 106.46 2k8i n GLY 20 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2k8i n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8i s VAL 21 N -2.65 3.34 0.35 1.61 0.11 -1.26 -4.74 120.40 117.15 2k8i s VAL 21 Ca 0.00 1.03 -0.28 0.00 -2.93 0.00 0.00 61.98 59.80 2k8i s VAL 21 Cb 0.00 -3.66 -0.10 0.00 -1.53 0.00 0.00 36.38 31.09 2k8i s VAL 21 CO 0.00 0.12 1.32 -0.22 -3.33 0.00 0.00 175.10 172.99 2k8i s LEU 22 N 0.46 4.37 -0.07 2.54 2.96 -1.26 -1.90 118.68 125.77 2k8i s LEU 22 Ca 0.60 2.70 0.03 0.00 -0.22 0.00 0.00 54.13 57.24 2k8i s LEU 22 Cb -0.36 -3.71 -0.07 0.00 0.50 0.00 0.00 46.19 42.56 2k8i s LEU 22 CO 0.34 -0.63 -0.03 0.55 -1.32 0.00 0.00 176.35 175.26 2k8i n VAL 23 N 0.62 0.46 -3.76 1.68 3.14 0.56 -4.87 118.33 116.15 2k8i n VAL 23 Ca 0.01 -0.22 -0.02 0.00 -2.96 0.00 0.00 64.34 61.14 2k8i n VAL 23 Cb 0.42 -0.81 -0.00 0.00 -1.06 0.00 0.00 33.84 32.39 2k8i n VAL 23 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2k8i s ASP 24 N -4.35 -0.11 0.00 6.55 2.15 -0.51 -5.03 116.67 115.37 2k8i s ASP 24 Ca -0.08 -0.41 -0.28 0.00 0.43 0.00 0.00 52.55 52.21 2k8i s ASP 24 Cb 0.02 0.42 0.10 0.00 -0.30 0.00 0.00 42.92 43.17 2k8i s ASP 24 CO 0.22 -0.80 0.87 -1.83 -0.17 0.00 0.00 175.17 173.47 2k8i s GLU 25 N -2.85 0.84 -0.35 4.34 -1.05 -1.26 -0.51 118.70 117.87 2k8i s GLU 25 Ca 0.15 -0.30 -0.07 0.00 -0.15 0.00 0.00 54.97 54.60 2k8i s GLU 25 Cb -0.00 0.39 0.04 0.00 -0.44 0.00 0.00 34.13 34.11 2k8i s GLU 25 CO 0.02 -0.37 0.13 -1.12 0.95 0.00 0.00 175.26 174.87 2k8i s SER 26 N -2.45 5.42 0.79 0.83 0.01 0.35 -4.99 113.70 113.66 2k8i s SER 26 Ca 0.04 -1.10 -0.13 0.00 1.31 0.00 0.00 55.95 56.07 2k8i s SER 26 Cb -0.01 -1.91 0.08 0.00 0.21 0.00 0.00 66.02 64.39 2k8i s SER 26 CO -0.09 -0.34 1.20 -2.16 0.41 0.00 0.00 173.24 172.26 2k8i s PRO 27 N 1.44 1.73 0.00 12.44 0.04 -1.23 -1.68 135.00 147.75 2k8i s PRO 27 Ca -0.01 1.74 0.14 0.00 0.04 0.00 0.00 61.00 62.91 2k8i s PRO 27 Cb -0.19 -1.79 0.68 0.00 0.04 0.00 0.00 34.50 33.24 2k8i s PRO 27 CO 0.04 -2.14 1.40 1.33 0.04 0.00 0.00 177.00 177.67 2k8i n VAL 28 N -3.21 0.74 0.02 -0.36 0.24 -1.26 -1.60 118.33 112.89 2k8i n VAL 28 Ca 0.13 0.19 -0.01 0.00 -2.04 0.00 0.00 64.34 62.61 2k8i n VAL 28 Cb 0.51 -0.95 -0.10 0.00 -1.47 0.00 0.00 33.84 31.83 2k8i n VAL 28 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2k8i n SER 29 N -1.35 0.77 -3.59 -1.34 3.41 -1.26 -4.80 113.62 105.45 2k8i n SER 29 Ca 0.06 0.34 -0.19 0.00 -0.26 0.00 0.00 58.87 58.82 2k8i n SER 29 Cb 0.13 0.26 -0.15 0.00 -0.26 0.00 0.00 64.21 64.19 2k8i n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k8i s ALA 30 N -2.88 -0.08 0.83 7.33 0.00 -0.63 -5.16 121.76 121.16 2k8i s ALA 30 Ca -0.04 0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 2k8i s ALA 30 Cb 0.09 -1.03 0.09 0.00 0.00 0.00 0.00 23.12 22.26 2k8i s ALA 30 CO 0.82 -0.91 1.11 -2.14 0.00 0.00 0.00 175.76 174.64 2k8i s PRO 31 N 2.27 1.83 -0.08 0.00 0.02 -1.25 -3.49 135.00 134.31 2k8i s PRO 31 Ca 0.04 0.56 -0.22 0.00 0.02 0.00 0.00 61.00 61.40 2k8i s PRO 31 Cb -0.14 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 2k8i s PRO 31 CO -0.09 -1.78 0.64 -1.17 -0.33 0.00 0.00 177.00 174.27 2k8i s LEU 32 N -5.85 4.31 -0.13 -5.54 2.96 0.81 -4.87 118.68 110.36 2k8i s LEU 32 Ca 0.62 1.09 0.01 0.00 -0.22 0.00 0.00 54.13 55.63 2k8i s LEU 32 Cb -0.15 -2.97 -0.01 0.00 0.50 0.00 0.00 46.19 43.56 2k8i s LEU 32 CO 0.54 -0.07 -0.16 1.51 -1.32 0.00 0.00 176.35 176.84 2k8i s ASP 33 N 0.70 3.66 0.21 3.68 -4.77 -1.26 -1.76 116.67 117.12 2k8i s ASP 33 Ca 0.34 -0.44 -0.22 0.00 -3.30 0.00 0.00 52.55 48.93 2k8i s ASP 33 Cb -0.17 -1.55 0.05 0.00 -1.09 0.00 0.00 42.92 40.16 2k8i s ASP 33 CO 0.16 0.13 0.66 -0.72 0.70 0.00 0.00 175.17 176.10 2k8i s TYR 34 N 0.55 -0.38 -0.37 2.11 -0.85 -1.18 -5.04 117.35 112.19 2k8i s TYR 34 Ca -0.10 0.05 -0.12 0.00 -0.52 0.00 0.00 57.07 56.38 2k8i s TYR 34 Cb -0.16 0.63 0.02 0.00 0.38 0.00 0.00 41.96 42.83 2k8i s TYR 34 CO 0.04 -1.02 0.22 -1.17 -1.52 0.00 0.00 175.55 172.10 2k8i s LEU 35 N -2.83 4.72 0.04 -3.49 2.96 -1.26 -2.95 118.68 115.88 2k8i s LEU 35 Ca 0.06 -0.88 -0.33 0.00 -0.22 0.00 0.00 54.13 52.76 2k8i s LEU 35 Cb -0.03 -2.06 -0.12 0.00 0.50 0.00 0.00 46.19 44.48 2k8i s LEU 35 CO -0.04 -0.37 1.80 1.57 -1.32 0.00 0.00 176.35 177.99 2k8i n HIS 36 N 5.04 2.41 -0.33 5.38 -0.00 -1.25 -0.89 115.22 125.58 2k8i n HIS 36 Ca -0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 2k8i n HIS 36 Cb 0.47 -2.66 0.00 0.00 -0.00 0.00 0.00 29.99 27.80 2k8i n HIS 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k8i n GLY 37 N 4.11 0.67 0.00 1.57 0.00 -1.26 -0.45 105.19 109.83 2k8i n GLY 37 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2k8i n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k8i n HIS 38 N -2.01 0.00 -2.79 1.61 8.25 -0.07 -4.90 115.22 115.31 2k8i n HIS 38 Ca 0.00 -0.03 0.03 0.00 -0.26 0.00 0.00 57.72 57.46 2k8i n HIS 38 Cb 0.00 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.11 2k8i n HIS 38 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2k8i s GLY 39 N -0.06 -1.40 0.00 -1.41 0.00 -0.53 -4.86 107.32 99.07 2k8i s GLY 39 Ca 0.00 1.80 0.07 0.00 0.00 0.00 0.00 44.72 46.58 2k8i s GLY 39 CO 0.00 4.41 1.10 1.44 0.00 0.00 0.00 173.10 180.05 2k8i n SER 40 N 3.92 2.45 0.00 1.64 7.64 -1.26 -4.12 113.62 123.89 2k8i n SER 40 Ca 0.06 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 58.02 2k8i n SER 40 Cb 0.63 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2k8i n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8i n LEU 41 N 0.15 0.00 -4.18 -3.43 -0.00 -1.26 -4.19 117.00 104.09 2k8i n LEU 41 Ca 0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.80 2k8i n LEU 41 Cb 0.34 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.60 2k8i n LEU 41 CO 0.05 0.00 -0.52 0.27 -0.00 0.00 0.00 177.39 177.19 2k8i s ILE 42 N 0.00 1.59 0.29 1.47 -4.36 -1.26 -5.03 121.20 113.89 2k8i s ILE 42 Ca 0.00 -0.82 0.03 0.00 -0.26 0.00 0.00 60.65 59.61 2k8i s ILE 42 Cb 0.00 -1.35 0.28 0.00 1.25 0.00 0.00 42.46 42.65 2k8i s ILE 42 CO 0.00 0.45 1.70 -1.28 0.24 0.00 0.00 174.94 176.05 2k8i h SER 43 N 6.09 0.33 -0.22 4.36 0.87 -1.49 -1.63 113.55 121.86 2k8i h SER 43 Ca -0.34 0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.24 2k8i h SER 43 Cb 1.17 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 2k8i h SER 43 CO 0.48 0.01 -0.36 1.23 -0.53 0.00 0.00 176.83 177.66 2k8i h GLY 44 N 0.41 0.82 0.23 5.77 0.00 -1.56 -3.24 103.07 105.50 2k8i h GLY 44 Ca 0.55 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2k8i h GLY 44 CO -0.52 0.72 -0.03 -2.00 0.00 0.00 0.00 176.54 174.72 2k8i h LEU 45 N 0.63 -0.06 -0.67 3.11 5.85 -1.55 -3.16 115.31 119.46 2k8i h LEU 45 Ca 0.06 -0.60 0.11 0.00 0.84 0.00 0.00 57.88 58.29 2k8i h LEU 45 Cb 0.90 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.87 2k8i h LEU 45 CO 0.08 0.64 0.26 -0.33 -0.34 0.00 0.00 178.44 178.75 2k8i h GLU 46 N -0.84 0.43 -0.68 1.25 4.39 -1.59 0.75 114.58 118.28 2k8i h GLU 46 Ca -0.01 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.73 2k8i h GLU 46 Cb 0.65 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 2k8i h GLU 46 CO 0.01 0.28 0.45 1.15 -1.16 0.00 0.00 179.01 179.74 2k8i h THR 47 N 0.44 1.02 0.05 1.13 2.02 -1.67 0.21 112.91 116.12 2k8i h THR 47 Ca 0.34 -0.24 -0.25 0.00 0.77 0.00 0.00 66.41 67.04 2k8i h THR 47 Cb 0.45 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2k8i h THR 47 CO -0.33 0.13 -1.05 0.00 0.37 0.00 0.00 175.52 174.63 2k8i h ALA 48 N 1.63 0.25 -0.51 6.16 0.00 -0.57 -3.23 119.26 122.99 2k8i h ALA 48 Ca 0.29 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2k8i h ALA 48 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2k8i h ALA 48 CO -0.09 0.84 0.24 -0.07 0.00 0.00 0.00 179.25 180.17 2k8i h LEU 49 N 0.20 0.64 -9.80 0.00 3.38 0.14 -3.46 115.31 106.41 2k8i h LEU 49 Ca -0.11 -0.06 -0.56 0.00 0.09 0.00 0.00 57.88 57.24 2k8i h LEU 49 Cb 1.71 -0.16 0.18 0.00 0.09 0.00 0.00 40.66 42.48 2k8i h LEU 49 CO 0.18 0.55 -0.11 -0.62 0.09 0.00 0.00 178.44 178.54 2k8i n GLU 50 N -4.38 0.49 -0.32 1.13 1.02 -0.04 -3.47 120.64 115.07 2k8i n GLU 50 Ca 0.04 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2k8i n GLU 50 Cb 0.13 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 2k8i n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k8i n GLY 51 N 1.37 2.11 2.78 0.62 0.00 -0.97 -4.95 105.19 106.14 2k8i n GLY 51 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2k8i n GLY 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k8i n HIS 52 N -2.00 0.55 -4.61 1.61 1.44 -1.23 -4.79 115.22 106.20 2k8i n HIS 52 Ca 0.00 -1.87 -0.28 0.00 -2.01 0.00 0.00 57.72 53.56 2k8i n HIS 52 Cb 0.00 -0.27 -0.09 0.00 0.12 0.00 0.00 29.99 29.75 2k8i n HIS 52 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2k8i s GLU 53 N -3.45 1.97 0.49 -1.40 2.02 -1.26 -2.07 118.70 114.98 2k8i s GLU 53 Ca 0.05 -2.18 -0.22 0.00 0.02 0.00 0.00 54.97 52.63 2k8i s GLU 53 Cb -0.00 -1.20 -0.08 0.00 0.10 0.00 0.00 34.13 32.94 2k8i s GLU 53 CO 0.03 -0.28 1.04 1.33 0.02 0.00 0.00 175.26 177.40 2k8i n VAL 54 N -0.99 2.91 0.00 2.63 0.24 -1.26 -2.58 118.33 119.27 2k8i n VAL 54 Ca -0.09 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2k8i n VAL 54 Cb 0.66 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 2k8i n VAL 54 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k8i n GLY 55 N 1.15 2.56 3.77 7.63 0.00 0.12 -4.99 105.19 115.42 2k8i n GLY 55 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2k8i n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k8i s ASP 56 N -1.92 7.02 -0.09 1.61 1.01 -1.07 -4.82 116.67 118.40 2k8i s ASP 56 Ca 0.00 2.10 -0.05 0.00 0.71 0.00 0.00 52.55 55.31 2k8i s ASP 56 Cb 0.00 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.37 2k8i s ASP 56 CO 0.00 -0.31 0.21 -0.75 0.21 0.00 0.00 175.17 174.53 2k8i s LYS 57 N -2.03 0.18 0.09 8.23 2.36 -1.25 -2.24 119.74 125.08 2k8i s LYS 57 Ca 0.52 0.45 -0.25 0.00 -2.55 0.00 0.00 55.97 54.14 2k8i s LYS 57 Cb -0.25 -0.10 0.08 0.00 -1.05 0.00 0.00 37.83 36.51 2k8i s LYS 57 CO 0.32 -0.14 0.71 -0.59 1.55 0.00 0.00 175.35 177.20 2k8i s PHE 58 N 1.06 -0.47 0.21 4.03 -0.71 -1.03 -4.98 117.98 116.10 2k8i s PHE 58 Ca -0.08 0.30 -0.26 0.00 -1.04 0.00 0.00 56.93 55.85 2k8i s PHE 58 Cb -0.09 0.55 -0.09 0.00 -1.21 0.00 0.00 43.02 42.18 2k8i s PHE 58 CO -0.07 -0.73 0.83 -0.51 -1.34 0.00 0.00 175.22 173.41 2k8i s ASP 59 N -2.62 7.41 0.02 1.98 1.11 -1.26 -1.54 116.67 121.77 2k8i s ASP 59 Ca 0.02 1.72 0.05 0.00 0.18 0.00 0.00 52.55 54.53 2k8i s ASP 59 Cb -0.01 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.43 2k8i s ASP 59 CO -0.11 0.14 -0.16 -0.69 1.18 0.00 0.00 175.17 175.53 2k8i s VAL 60 N -1.26 1.29 -0.14 -1.27 1.01 0.21 -4.96 120.40 115.28 2k8i s VAL 60 Ca 0.40 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 2k8i s VAL 60 Cb -0.22 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.09 2k8i s VAL 60 CO 0.27 0.19 0.11 0.00 0.00 0.00 0.00 175.10 175.66 2k8i s ALA 61 N -0.65 0.22 0.32 5.51 0.00 -1.26 0.14 121.76 126.04 2k8i s ALA 61 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.01 2k8i s ALA 61 Cb -0.07 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 2k8i s ALA 61 CO 0.01 -0.98 0.04 0.14 0.00 0.00 0.00 175.76 174.97 2k8i s VAL 62 N 2.19 1.25 0.44 0.00 -7.23 -0.46 -4.94 120.40 111.65 2k8i s VAL 62 Ca 0.03 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.14 2k8i s VAL 62 Cb -0.15 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 2k8i s VAL 62 CO -0.08 -0.06 0.74 -0.83 -0.31 0.00 0.00 175.10 174.56 2k8i s GLY 63 N -3.48 1.57 0.60 2.32 0.00 -1.26 0.22 107.32 107.29 2k8i s GLY 63 Ca 0.35 -0.51 0.29 0.00 0.00 0.00 0.00 44.72 44.85 2k8i s GLY 63 CO 0.15 -0.36 1.90 0.00 0.00 0.00 0.00 173.10 174.79 2k8i h ALA 64 N 0.53 2.05 -0.01 3.20 0.00 -1.40 0.57 119.26 124.20 2k8i h ALA 64 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2k8i h ALA 64 Cb 1.20 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k8i h ALA 64 CO 0.62 -0.65 0.01 -0.97 0.00 0.00 0.00 179.25 178.26 2k8i h ASN 65 N 0.00 0.00 -0.00 0.00 -1.24 -1.87 -2.99 115.58 109.48 2k8i h ASN 65 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.19 2k8i h ASN 65 Cb 1.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.15 2k8i h ASN 65 CO -0.00 0.00 -0.12 0.47 -1.29 0.00 0.00 177.43 176.49 2k8i n ASP 66 N -4.21 0.71 -3.06 1.15 9.92 0.16 -4.77 116.55 116.46 2k8i n ASP 66 Ca -0.03 -0.86 -0.16 0.00 -0.53 0.00 0.00 54.79 53.22 2k8i n ASP 66 Cb 0.10 0.58 -0.00 0.00 -0.64 0.00 0.00 41.12 41.15 2k8i n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k8i n ALA 67 N -0.52 1.22 0.00 2.24 0.00 -1.02 -1.32 120.51 121.10 2k8i n ALA 67 Ca 0.02 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.61 2k8i n ALA 67 Cb 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2k8i n ALA 67 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2k8i n TYR 68 N 0.46 0.00 -0.62 0.00 4.11 -1.17 -4.73 117.16 115.21 2k8i n TYR 68 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.09 2k8i n TYR 68 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.00 2k8i n TYR 68 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k8i n GLY 69 N 0.00 0.65 3.13 -7.48 0.00 -1.26 -4.30 105.19 95.93 2k8i n GLY 69 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2k8i n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k8i n GLN 70 N -2.51 -4.87 -1.60 1.61 1.13 -1.26 -4.78 117.38 105.09 2k8i n GLN 70 Ca 0.00 -1.43 -0.57 0.00 -1.94 0.00 0.00 57.00 53.06 2k8i n GLN 70 Cb 0.01 -1.87 -0.07 0.00 0.11 0.00 0.00 30.24 28.42 2k8i n GLN 70 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2k8i n TYR 71 N -5.81 1.35 -3.86 1.08 4.19 -0.92 -4.91 117.16 108.28 2k8i n TYR 71 Ca 0.14 0.82 -0.26 0.00 3.31 0.00 0.00 57.90 61.90 2k8i n TYR 71 Cb 0.59 -2.26 -0.17 0.00 0.49 0.00 0.00 39.34 37.99 2k8i n TYR 71 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 2k8i s ASP 72 N 1.12 2.12 0.00 2.98 -1.08 -1.26 -5.02 116.67 115.54 2k8i s ASP 72 Ca 0.91 -0.30 0.22 0.00 -0.52 0.00 0.00 52.55 52.86 2k8i s ASP 72 Cb -1.14 -0.74 1.01 0.00 -1.46 0.00 0.00 42.92 40.59 2k8i s ASP 72 CO 0.57 -0.15 1.71 -1.84 0.52 0.00 0.00 175.17 175.98 2k8i n GLU 73 N 4.99 0.13 0.07 4.34 0.28 -1.26 -2.11 120.64 127.08 2k8i n GLU 73 Ca -0.11 0.11 0.13 0.00 -0.16 0.00 0.00 57.16 57.12 2k8i n GLU 73 Cb 0.50 -1.50 0.33 0.00 1.43 0.00 0.00 31.44 32.20 2k8i n GLU 73 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2k8i n ASN 74 N -1.42 0.68 -0.01 -1.84 3.02 -1.26 -3.38 115.26 111.05 2k8i n ASN 74 Ca 0.07 0.35 0.12 0.00 -0.03 0.00 0.00 54.58 55.10 2k8i n ASN 74 Cb 0.22 -0.36 0.32 0.00 -0.61 0.00 0.00 39.78 39.36 2k8i n ASN 74 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2k8i n LEU 75 N -2.09 0.43 -4.54 3.41 7.94 -0.90 -4.73 117.00 116.52 2k8i n LEU 75 Ca 0.05 0.07 -0.34 0.00 -1.11 0.00 0.00 56.01 54.68 2k8i n LEU 75 Cb 0.42 -0.29 -0.11 0.00 0.53 0.00 0.00 43.42 43.97 2k8i n LEU 75 CO 0.32 0.11 -0.32 0.54 -1.11 0.00 0.00 177.39 176.94 2k8i s VAL 76 N -2.98 4.21 0.30 1.96 0.11 -1.22 -2.09 120.40 120.70 2k8i s VAL 76 Ca 0.12 -0.24 -0.19 0.00 -2.93 0.00 0.00 61.98 58.74 2k8i s VAL 76 Cb 0.18 -2.87 0.06 0.00 -1.53 0.00 0.00 36.38 32.22 2k8i s VAL 76 CO 0.67 0.48 0.88 0.00 -3.33 0.00 0.00 175.10 173.79 2k8i s GLN 77 N 0.38 1.83 0.08 1.54 -2.07 0.02 -4.98 119.66 116.46 2k8i s GLN 77 Ca -0.01 -1.16 -0.01 0.00 -1.82 0.00 0.00 55.36 52.36 2k8i s GLN 77 Cb -0.14 0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 2k8i s GLN 77 CO 0.02 -0.86 0.24 1.03 -1.32 0.00 0.00 175.29 174.41 2k8i s ARG 78 N -2.44 3.47 -0.06 9.60 0.52 -1.26 -0.80 118.95 127.98 2k8i s ARG 78 Ca 0.17 -0.37 -0.03 0.00 -0.52 0.00 0.00 55.73 54.98 2k8i s ARG 78 Cb -0.04 -3.00 0.04 0.00 0.52 0.00 0.00 34.95 32.47 2k8i s ARG 78 CO 0.08 0.58 0.14 0.08 0.02 0.00 0.00 175.30 176.21 2k8i s VAL 79 N -1.54 -0.07 0.36 3.52 1.01 0.08 -4.94 120.40 118.81 2k8i s VAL 79 Ca 0.36 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.26 2k8i s VAL 79 Cb -0.13 -0.23 -0.11 0.00 0.00 0.00 0.00 36.38 35.90 2k8i s VAL 79 CO 0.27 0.08 1.50 -2.65 0.00 0.00 0.00 175.10 174.30 2k8i n PRO 80 N 4.32 2.65 -0.18 2.72 -0.02 -1.26 0.06 135.00 143.29 2k8i n PRO 80 Ca -0.24 0.93 0.23 0.00 -2.02 0.00 0.00 63.50 62.39 2k8i n PRO 80 Cb 0.51 -2.67 0.62 0.00 -0.02 0.00 0.00 33.50 31.94 2k8i n PRO 80 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2k8i h LYS 81 N 3.27 0.19 -0.83 -0.52 1.79 -0.33 -0.98 116.57 119.16 2k8i h LYS 81 Ca -0.50 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2k8i h LYS 81 Cb 1.24 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.81 2k8i h LYS 81 CO 0.67 0.13 0.53 0.22 -1.08 0.00 0.00 179.45 179.91 2k8i h ASP 82 N 0.20 0.97 -0.90 0.86 3.58 -1.90 -2.90 116.42 116.32 2k8i h ASP 82 Ca 0.42 -0.04 0.14 0.00 0.42 0.00 0.00 57.03 57.97 2k8i h ASP 82 Cb 1.34 -0.24 -0.07 0.00 1.72 0.00 0.00 39.33 42.08 2k8i h ASP 82 CO -0.09 0.72 0.58 0.58 -2.88 0.00 0.00 179.24 178.15 2k8i h VAL 83 N 1.12 0.85 -0.99 2.25 2.07 -1.54 -1.80 116.25 118.21 2k8i h VAL 83 Ca 0.30 -0.25 -0.68 0.00 0.82 0.00 0.00 66.70 66.90 2k8i h VAL 83 Cb -0.10 0.06 -0.30 0.00 -1.52 0.00 0.00 31.29 29.44 2k8i h VAL 83 CO -0.06 0.13 0.81 0.49 0.02 0.00 0.00 177.57 178.97 2k8i n PHE 84 N -4.57 3.22 -0.32 1.57 3.72 -1.09 -4.69 117.46 115.30 2k8i n PHE 84 Ca 0.17 -3.01 0.20 0.00 -0.05 0.00 0.00 57.45 54.77 2k8i n PHE 84 Cb 0.45 -1.42 0.46 0.00 -0.94 0.00 0.00 39.48 38.04 2k8i n PHE 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k8i h MET 85 N 2.01 0.46 -0.49 -1.08 -0.00 -1.41 -0.90 114.93 113.52 2k8i h MET 85 Ca 0.60 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 60.27 2k8i h MET 85 Cb 0.84 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 32.33 2k8i h MET 85 CO 1.57 0.31 0.00 0.41 -0.00 0.00 0.00 176.91 179.19 2k8i n GLY 86 N -1.44 1.03 3.94 -3.00 0.00 -1.26 -4.88 105.19 99.58 2k8i n GLY 86 Ca 0.24 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 2k8i n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8i s VAL 87 N -1.64 3.55 0.00 1.61 0.11 -0.34 -5.04 120.40 118.64 2k8i s VAL 87 Ca 0.21 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 2k8i s VAL 87 Cb 0.13 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 2k8i s VAL 87 CO 0.11 -0.31 0.94 -0.67 -3.33 0.00 0.00 175.10 171.84 2k8i n ASP 88 N -2.37 0.00 -3.62 3.54 2.03 -1.26 -4.90 116.55 109.97 2k8i n ASP 88 Ca 0.04 0.94 -0.03 0.00 0.52 0.00 0.00 54.79 56.26 2k8i n ASP 88 Cb 0.58 -0.44 -0.06 0.00 -0.72 0.00 0.00 41.12 40.48 2k8i n ASP 88 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2k8i s GLU 89 N -2.76 0.48 -0.21 -0.67 2.12 -1.26 -5.12 118.70 111.27 2k8i s GLU 89 Ca 0.00 0.88 -0.29 0.00 0.36 0.00 0.00 54.97 55.92 2k8i s GLU 89 Cb 0.00 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 2k8i s GLU 89 CO 0.00 -0.11 1.97 -0.51 -0.54 0.00 0.00 175.26 176.07 2k8i s LEU 90 N 1.64 3.66 0.23 2.70 1.43 -1.26 -4.95 118.68 122.13 2k8i s LEU 90 Ca -0.08 1.79 0.08 0.00 -1.03 0.00 0.00 54.13 54.88 2k8i s LEU 90 Cb -0.05 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 2k8i s LEU 90 CO -0.17 -1.65 -0.12 -1.58 0.23 0.00 0.00 176.35 173.05 2k8i s GLN 91 N 5.63 1.43 0.13 1.70 2.00 -1.26 -4.95 119.66 124.34 2k8i s GLN 91 Ca 0.88 -1.66 -0.29 0.00 -2.00 0.00 0.00 55.36 52.29 2k8i s GLN 91 Cb -0.30 -1.19 -0.07 0.00 0.80 0.00 0.00 33.01 32.26 2k8i s GLN 91 CO 0.35 0.16 0.92 0.08 -0.50 0.00 0.00 175.29 176.29 2k8i s VAL 92 N -2.94 4.43 0.00 1.34 1.01 -1.26 -3.32 120.40 119.66 2k8i s VAL 92 Ca 0.25 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.23 2k8i s VAL 92 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2k8i s VAL 92 CO 0.09 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2k8i n GLY 93 N 2.08 0.69 3.76 4.51 0.00 0.21 -4.99 105.19 111.45 2k8i n GLY 93 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2k8i n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k8i s MET 94 N -0.66 4.37 -0.10 1.61 1.00 -1.21 -4.81 119.30 119.50 2k8i s MET 94 Ca 0.00 0.85 0.01 0.00 0.00 0.00 0.00 55.69 56.55 2k8i s MET 94 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 34.83 31.48 2k8i s MET 94 CO 0.00 0.39 -0.13 1.03 0.00 0.00 0.00 175.02 176.31 2k8i s ARG 95 N -0.33 3.01 0.26 2.03 0.52 -1.26 -1.25 118.95 121.92 2k8i s ARG 95 Ca 0.33 -0.68 -0.21 0.00 -0.52 0.00 0.00 55.73 54.65 2k8i s ARG 95 Cb -0.19 -2.53 0.05 0.00 0.52 0.00 0.00 34.95 32.80 2k8i s ARG 95 CO 0.20 0.40 0.86 -0.59 0.02 0.00 0.00 175.30 176.18 2k8i s PHE 96 N -0.13 -0.05 -0.24 -0.53 -0.12 -1.17 -5.06 117.98 110.68 2k8i s PHE 96 Ca -0.01 -0.42 -0.19 0.00 -0.05 0.00 0.00 56.93 56.26 2k8i s PHE 96 Cb -0.14 0.72 -0.02 0.00 -0.63 0.00 0.00 43.02 42.95 2k8i s PHE 96 CO 0.03 -1.16 0.57 -1.17 -0.05 0.00 0.00 175.22 173.44 2k8i s LEU 97 N -3.05 4.08 0.69 -1.99 2.96 -1.26 -2.54 118.68 117.56 2k8i s LEU 97 Ca 0.14 0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 54.67 2k8i s LEU 97 Cb -0.04 -2.77 0.09 0.00 0.50 0.00 0.00 46.19 43.98 2k8i s LEU 97 CO 0.07 -0.30 0.96 0.00 -1.32 0.00 0.00 176.35 175.75 2k8i s ALA 98 N 2.25 3.54 -0.11 5.97 0.00 0.54 -4.84 121.76 129.11 2k8i s ALA 98 Ca 0.24 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2k8i s ALA 98 Cb -0.16 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.78 2k8i s ALA 98 CO 0.09 -1.30 -0.10 -1.21 0.00 0.00 0.00 175.76 173.24 2k8i s GLU 99 N -5.11 1.74 0.29 0.00 2.02 -1.26 -1.11 118.70 115.27 2k8i s GLU 99 Ca 0.63 -0.35 -0.02 0.00 0.02 0.00 0.00 54.97 55.24 2k8i s GLU 99 Cb -0.08 -1.68 -0.01 0.00 0.10 0.00 0.00 34.13 32.46 2k8i s GLU 99 CO 0.43 -0.21 0.37 0.95 0.02 0.00 0.00 175.26 176.82 2k8i s THR 100 N 1.47 0.00 0.36 3.63 -4.23 -0.71 -4.92 115.64 111.24 2k8i s THR 100 Ca 0.01 -1.72 0.08 0.00 -1.18 0.00 0.00 61.69 58.88 2k8i s THR 100 Cb -0.13 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.51 2k8i s THR 100 CO -0.07 0.00 1.89 -0.78 -0.54 0.00 0.00 174.62 175.13 2k8i h ASP 101 N 2.25 0.67 -0.61 3.99 3.58 -2.00 -1.58 116.42 122.72 2k8i h ASP 101 Ca -0.29 0.03 -0.33 0.00 0.42 0.00 0.00 57.03 56.86 2k8i h ASP 101 Cb 1.24 -0.11 -0.19 0.00 1.72 0.00 0.00 39.33 42.00 2k8i h ASP 101 CO 0.41 0.37 0.41 0.00 -2.88 0.00 0.00 179.24 177.55 2k8i n GLN 102 N -4.53 1.79 0.00 0.28 10.64 -1.26 -5.00 117.38 119.30 2k8i n GLN 102 Ca 0.15 -1.86 0.00 0.00 -1.83 0.00 0.00 57.00 53.47 2k8i n GLN 102 Cb 0.40 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 28.05 2k8i n GLN 102 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k8i n GLY 103 N -0.47 -2.46 3.72 2.61 0.00 -0.59 -4.88 105.19 103.12 2k8i n GLY 103 Ca 0.37 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 2k8i n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k8i n PRO 104 N -0.64 1.92 -3.79 1.61 -0.02 -1.26 -1.73 135.00 131.09 2k8i n PRO 104 Ca 0.00 0.69 -0.25 0.00 -2.02 0.00 0.00 63.50 61.92 2k8i n PRO 104 Cb 0.00 -2.48 -0.17 0.00 -0.02 0.00 0.00 33.50 30.83 2k8i n PRO 104 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k8i s VAL 105 N -1.23 0.58 -0.54 -1.45 1.01 -0.27 -4.88 120.40 113.62 2k8i s VAL 105 Ca 0.64 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 2k8i s VAL 105 Cb -0.47 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2k8i s VAL 105 CO 0.56 0.14 1.93 -2.84 0.00 0.00 0.00 175.10 174.88 2k8i s PRO 106 N 1.87 2.68 0.51 2.72 0.02 -1.26 -0.34 135.00 141.21 2k8i s PRO 106 Ca 0.03 0.88 0.02 0.00 0.02 0.00 0.00 61.00 61.95 2k8i s PRO 106 Cb -0.14 -4.38 -0.01 0.00 0.02 0.00 0.00 34.50 29.99 2k8i s PRO 106 CO -0.07 -2.65 0.05 0.14 -0.33 0.00 0.00 177.00 174.14 2k8i s VAL 107 N 9.12 1.23 -0.01 3.83 -7.23 -1.05 -4.78 120.40 121.50 2k8i s VAL 107 Ca 0.74 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2k8i s VAL 107 Cb -0.15 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.62 2k8i s VAL 107 CO 0.24 0.00 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.28 2k8i s GLU 108 N -3.92 0.50 -0.06 4.82 2.12 -0.93 -3.05 118.70 118.17 2k8i s GLU 108 Ca 0.09 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.96 2k8i s GLU 108 Cb 0.01 -0.51 -0.02 0.00 0.26 0.00 0.00 34.13 33.87 2k8i s GLU 108 CO 0.05 0.07 1.08 0.42 -0.54 0.00 0.00 175.26 176.34 2k8i s ILE 109 N 0.14 4.56 -1.29 -3.70 1.01 -0.38 -1.02 121.20 120.51 2k8i s ILE 109 Ca -0.01 1.84 0.11 0.00 0.00 0.00 0.00 60.65 62.59 2k8i s ILE 109 Cb -0.05 -4.19 0.12 0.00 0.01 0.00 0.00 42.46 38.35 2k8i s ILE 109 CO -0.00 0.03 0.91 0.35 0.00 0.00 0.00 174.94 176.22 2k8i n THR 110 N 4.46 0.15 0.00 2.92 -2.24 0.19 0.67 114.28 120.43 2k8i n THR 110 Ca 0.09 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2k8i n THR 110 Cb 0.48 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 2k8i n THR 110 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k8i n ALA 111 N 0.59 0.00 -3.58 6.98 0.00 -1.14 -4.89 120.51 118.48 2k8i n ALA 111 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 2k8i n ALA 111 Cb 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.59 2k8i n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k8i s VAL 112 N -2.00 -0.15 0.00 0.00 1.01 -1.26 0.06 120.40 118.06 2k8i s VAL 112 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2k8i s VAL 112 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2k8i s VAL 112 CO 0.00 -0.28 0.00 -0.62 0.00 0.00 0.00 175.10 174.20 2k8i n GLU 113 N 5.29 1.25 0.11 2.72 1.02 0.95 -4.97 120.64 127.00 2k8i n GLU 113 Ca -0.07 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 2k8i n GLU 113 Cb 0.49 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.83 2k8i n GLU 113 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2k8i h ASP 114 N 0.00 -0.27 -0.01 1.62 3.58 -2.02 -3.36 116.42 115.96 2k8i h ASP 114 Ca 0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2k8i h ASP 114 Cb 0.00 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2k8i h ASP 114 CO 0.00 0.17 -0.21 -0.90 -2.88 0.00 0.00 179.24 175.41 2k8i n ASP 115 N -5.04 1.47 -3.92 2.28 5.68 -1.26 -4.91 116.55 110.85 2k8i n ASP 115 Ca -0.09 -1.24 -0.10 0.00 -0.50 0.00 0.00 54.79 52.86 2k8i n ASP 115 Cb 0.26 0.39 -0.11 0.00 -1.14 0.00 0.00 41.12 40.52 2k8i n ASP 115 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 2k8i s HIS 116 N -1.47 0.13 0.38 2.11 -3.43 -1.26 0.46 115.29 112.21 2k8i s HIS 116 Ca 0.11 -0.27 0.08 0.00 -0.80 0.00 0.00 55.06 54.18 2k8i s HIS 116 Cb 0.10 -0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 31.10 2k8i s HIS 116 CO 0.28 -0.18 0.20 0.14 -2.00 0.00 0.00 174.74 173.18 2k8i s VAL 117 N -1.11 2.71 -0.21 -5.38 -7.23 0.11 -0.03 120.40 109.25 2k8i s VAL 117 Ca -0.12 -1.62 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2k8i s VAL 117 Cb -0.07 -2.99 0.04 0.00 0.56 0.00 0.00 36.38 33.91 2k8i s VAL 117 CO -0.00 -0.08 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.88 2k8i s VAL 118 N -2.49 1.94 -0.07 1.32 1.01 0.11 -0.74 120.40 121.48 2k8i s VAL 118 Ca 0.41 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2k8i s VAL 118 Cb -0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 2k8i s VAL 118 CO 0.24 0.22 -0.14 0.68 0.00 0.00 0.00 175.10 176.10 2k8i s VAL 119 N 1.27 3.09 -0.07 2.92 -7.23 0.02 0.53 120.40 120.92 2k8i s VAL 119 Ca -0.02 -0.70 0.05 0.00 -1.81 0.00 0.00 61.98 59.50 2k8i s VAL 119 Cb -0.16 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 2k8i s VAL 119 CO -0.09 0.58 -0.22 -0.62 -0.31 0.00 0.00 175.10 174.44 2k8i s ASP 120 N -0.52 3.33 0.30 4.85 -1.08 -0.19 -0.80 116.67 122.56 2k8i s ASP 120 Ca 0.07 -0.45 0.22 0.00 -0.52 0.00 0.00 52.55 51.87 2k8i s ASP 120 Cb -0.12 -1.05 0.14 0.00 -1.46 0.00 0.00 42.92 40.44 2k8i s ASP 120 CO 0.02 0.23 1.30 1.23 0.52 0.00 0.00 175.17 178.46 2k8i h GLY 121 N 6.18 0.00 -5.91 2.66 0.00 -1.71 -2.46 103.07 101.82 2k8i h GLY 121 Ca -0.30 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.39 2k8i h GLY 121 CO 0.49 0.00 -0.49 0.54 0.00 0.00 0.00 176.54 177.07 2k8i s ASN 122 N -5.81 6.23 0.00 0.19 2.20 -1.26 -4.60 114.94 111.89 2k8i s ASN 122 Ca 0.03 0.34 0.00 0.00 -0.94 0.00 0.00 52.86 52.29 2k8i s ASN 122 Cb 0.07 -2.05 0.00 0.00 -2.00 0.00 0.00 41.25 37.28 2k8i s ASN 122 CO 0.74 0.30 0.00 1.57 -2.94 0.00 0.00 177.10 176.77 2k8i n HIS 123 N 2.70 0.00 -0.05 1.54 -0.00 0.12 -4.77 115.22 114.76 2k8i n HIS 123 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.52 2k8i n HIS 123 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.52 2k8i n HIS 123 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k8i h MET 124 N 0.00 0.00 0.00 1.57 -0.00 -1.96 -3.44 114.93 111.10 2k8i h MET 124 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2k8i h MET 124 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2k8i h MET 124 CO 0.00 0.00 -1.02 1.28 -0.00 0.00 0.00 176.91 177.17 2k8i n LEU 125 N -4.32 0.00 0.00 -0.10 7.99 -1.26 -5.02 117.00 114.30 2k8i n LEU 125 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2k8i n LEU 125 Cb 0.08 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 2k8i n LEU 125 CO 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.91 2k8i n ALA 126 N -1.53 0.00 0.00 -1.18 0.00 -1.26 -2.17 120.51 114.37 2k8i n ALA 126 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k8i n ALA 126 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2k8i n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8i n GLY 127 N -1.40 2.83 3.71 0.00 0.00 -1.26 0.11 105.19 109.18 2k8i n GLY 127 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2k8i n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8i n GLN 128 N -1.58 2.40 -2.87 1.61 10.64 -1.26 -4.51 117.38 121.80 2k8i n GLN 128 Ca 0.00 0.85 -0.29 0.00 -1.83 0.00 0.00 57.00 55.73 2k8i n GLN 128 Cb 0.00 -2.59 -0.02 0.00 -0.86 0.00 0.00 30.24 26.77 2k8i n GLN 128 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2k8i s ASN 129 N 0.46 6.43 0.02 2.61 0.01 -1.26 -1.36 114.94 121.85 2k8i s ASN 129 Ca 0.67 1.00 0.07 0.00 -0.71 0.00 0.00 52.86 53.89 2k8i s ASN 129 Cb -0.57 -2.27 -0.02 0.00 0.41 0.00 0.00 41.25 38.80 2k8i s ASN 129 CO 0.48 -0.42 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.68 2k8i s LEU 130 N -4.06 2.12 -0.13 0.60 1.43 0.13 -3.78 118.68 114.99 2k8i s LEU 130 Ca 0.49 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2k8i s LEU 130 Cb -0.10 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 2k8i s LEU 130 CO 0.35 0.19 -0.15 -0.54 0.23 0.00 0.00 176.35 176.43 2k8i s LYS 131 N -0.93 3.30 -0.03 1.70 1.02 0.24 -1.35 119.74 123.68 2k8i s LYS 131 Ca 0.08 -0.73 0.07 0.00 0.02 0.00 0.00 55.97 55.40 2k8i s LYS 131 Cb -0.08 -2.58 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2k8i s LYS 131 CO 0.01 0.17 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.32 2k8i s PHE 132 N 0.45 2.45 -0.37 3.18 0.08 0.12 0.07 117.98 123.97 2k8i s PHE 132 Ca -0.11 -0.36 -0.07 0.00 0.12 0.00 0.00 56.93 56.50 2k8i s PHE 132 Cb -0.16 -1.55 0.05 0.00 -0.57 0.00 0.00 43.02 40.79 2k8i s PHE 132 CO 0.05 0.02 0.16 -0.80 -0.10 0.00 0.00 175.22 174.55 2k8i s ASN 133 N -0.63 5.43 -0.13 1.36 -0.87 0.18 0.64 114.94 120.92 2k8i s ASN 133 Ca 0.10 -1.27 -0.09 0.00 -1.57 0.00 0.00 52.86 50.03 2k8i s ASN 133 Cb -0.10 -1.91 -0.04 0.00 -0.02 0.00 0.00 41.25 39.17 2k8i s ASN 133 CO -0.00 -0.40 0.17 -0.69 -2.57 0.00 0.00 177.10 173.61 2k8i s VAL 134 N 1.41 5.44 -0.33 1.60 1.01 -0.59 -1.52 120.40 127.41 2k8i s VAL 134 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 2k8i s VAL 134 Cb -0.21 -3.45 0.11 0.00 0.00 0.00 0.00 36.38 32.84 2k8i s VAL 134 CO 0.03 0.57 0.16 -1.61 0.00 0.00 0.00 175.10 174.24 2k8i s GLU 135 N -0.67 0.56 -0.28 2.72 2.02 0.12 -2.45 118.70 120.71 2k8i s GLU 135 Ca 0.14 -1.07 -0.29 0.00 0.02 0.00 0.00 54.97 53.77 2k8i s GLU 135 Cb -0.12 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 32.54 2k8i s GLU 135 CO 0.04 -1.08 1.27 0.08 0.02 0.00 0.00 175.26 175.59 2k8i s VAL 136 N 1.48 4.20 -0.05 2.63 1.01 -0.95 -0.45 120.40 128.28 2k8i s VAL 136 Ca 0.13 1.38 -0.26 0.00 0.00 0.00 0.00 61.98 63.22 2k8i s VAL 136 Cb -0.19 -4.16 -0.22 0.00 0.00 0.00 0.00 36.38 31.81 2k8i s VAL 136 CO -0.19 -0.43 1.12 0.58 0.00 0.00 0.00 175.10 176.18 2k8i h VAL 137 N 5.87 1.51 -2.42 2.92 2.07 -1.29 0.33 116.25 125.24 2k8i h VAL 137 Ca -0.25 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 65.73 2k8i h VAL 137 Cb 1.09 2.52 -0.16 0.00 -1.52 0.00 0.00 31.29 33.23 2k8i h VAL 137 CO 1.02 0.41 0.30 0.00 0.02 0.00 0.00 177.57 179.33 2k8i s ALA 138 N -3.63 -1.73 0.00 1.67 0.00 -0.32 -4.55 121.76 113.20 2k8i s ALA 138 Ca -0.17 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2k8i s ALA 138 Cb 0.01 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 2k8i s ALA 138 CO 0.69 -0.60 -0.02 0.42 0.00 0.00 0.00 175.76 176.26 2k8i s ILE 139 N -2.65 0.13 -0.09 0.00 1.01 -1.26 -0.88 121.20 117.45 2k8i s ILE 139 Ca -0.02 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 2k8i s ILE 139 Cb -0.01 -0.15 0.02 0.00 0.01 0.00 0.00 42.46 42.34 2k8i s ILE 139 CO -0.04 -0.07 0.26 -0.60 0.00 0.00 0.00 174.94 174.48 2k8i s ARG 140 N -0.32 0.33 -0.25 2.79 3.52 0.74 -4.99 118.95 120.77 2k8i s ARG 140 Ca -0.02 0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.57 2k8i s ARG 140 Cb -0.02 0.16 -0.00 0.00 -1.56 0.00 0.00 34.95 33.52 2k8i s ARG 140 CO -0.00 -0.05 1.25 -1.83 -0.81 0.00 0.00 175.30 173.86 2k8i s GLU 141 N -0.03 4.06 0.76 5.12 -1.05 -1.26 -1.32 118.70 124.98 2k8i s GLU 141 Ca -0.02 1.38 -0.14 0.00 -0.15 0.00 0.00 54.97 56.05 2k8i s GLU 141 Cb -0.02 -3.81 0.06 0.00 -0.44 0.00 0.00 34.13 29.91 2k8i s GLU 141 CO 0.01 -0.93 1.20 0.00 0.95 0.00 0.00 175.26 176.48 2k8i s ALA 142 N 3.95 2.01 -0.97 -0.84 0.00 -1.19 -4.87 121.76 119.85 2k8i s ALA 142 Ca 0.54 0.82 0.03 0.00 0.00 0.00 0.00 51.96 53.35 2k8i s ALA 142 Cb -0.18 -3.46 0.17 0.00 0.00 0.00 0.00 23.12 19.65 2k8i s ALA 142 CO 0.18 -2.04 0.80 0.25 0.00 0.00 0.00 175.76 174.96 2k8i n THR 143 N -3.01 0.54 0.00 0.00 -2.24 -1.26 -4.84 114.28 103.47 2k8i n THR 143 Ca 0.13 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2k8i n THR 143 Cb 0.51 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 2k8i n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k8i n GLU 144 N 0.11 0.00 -0.20 -0.78 1.02 -1.26 -4.52 120.64 115.02 2k8i n GLU 144 Ca 0.06 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.10 2k8i n GLU 144 Cb 0.41 -0.86 0.02 0.00 -0.02 0.00 0.00 31.44 30.99 2k8i n GLU 144 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2k8i h GLU 145 N 0.00 1.03 -1.00 3.49 4.11 -1.96 0.48 114.58 120.73 2k8i h GLU 145 Ca 0.00 -0.34 0.05 0.00 0.07 0.00 0.00 59.36 59.14 2k8i h GLU 145 Cb 0.00 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 2k8i h GLU 145 CO 0.00 1.03 0.65 0.93 0.07 0.00 0.00 179.01 181.69 2k8i h GLU 146 N 0.92 1.19 -0.19 1.06 5.08 -1.77 0.22 114.58 121.09 2k8i h GLU 146 Ca 0.16 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2k8i h GLU 146 Cb 0.58 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2k8i h GLU 146 CO 0.03 0.79 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.62 2k8i h LEU 147 N 1.23 0.46 -1.74 1.33 3.38 -1.67 0.76 115.31 119.05 2k8i h LEU 147 Ca 0.41 -0.45 0.06 0.00 0.09 0.00 0.00 57.88 58.00 2k8i h LEU 147 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2k8i h LEU 147 CO -0.15 0.80 0.29 0.00 0.09 0.00 0.00 178.44 179.48 2k8i h ALA 148 N 0.66 1.99 -0.01 1.53 0.00 0.71 -1.35 119.26 122.79 2k8i h ALA 148 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k8i h ALA 148 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k8i h ALA 148 CO 0.04 -0.07 -0.55 0.72 0.00 0.00 0.00 179.25 179.39 2k8i n HIS 149 N -4.47 0.00 -1.00 0.00 8.25 0.71 -4.95 115.22 113.76 2k8i n HIS 149 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2k8i n HIS 149 Cb 0.26 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2k8i n HIS 149 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k8i n GLY 150 N 1.43 0.95 3.79 -1.41 0.00 -0.32 -4.93 105.19 104.69 2k8i n GLY 150 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 2k8i n GLY 150 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k8i s HIS 151 N -3.83 -0.04 0.09 1.61 -3.43 0.11 -4.65 115.29 105.16 2k8i s HIS 151 Ca 0.00 -0.26 -0.30 0.00 -0.80 0.00 0.00 55.06 53.70 2k8i s HIS 151 Cb 0.00 0.65 -0.12 0.00 -1.43 0.00 0.00 32.58 31.67 2k8i s HIS 151 CO 0.00 -0.77 1.48 0.28 -2.00 0.00 0.00 174.74 173.73 2k8i h VAL 152 N 2.00 0.00 -4.04 -5.38 2.07 -1.91 -3.39 116.25 105.60 2k8i h VAL 152 Ca -0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2k8i h VAL 152 Cb 1.22 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2k8i h VAL 152 CO 0.30 0.00 -0.55 1.57 0.02 0.00 0.00 177.57 178.91 2k8i n HIS 153 N -5.04 -2.03 0.00 1.57 -0.00 -1.26 -4.39 115.22 104.06 2k8i n HIS 153 Ca -0.07 0.96 0.00 0.00 -0.00 0.00 0.00 57.72 58.61 2k8i n HIS 153 Cb 0.35 -2.74 0.00 0.00 -0.00 0.00 0.00 29.99 27.60 2k8i n HIS 153 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k8i n GLY 154 N 0.44 1.31 2.40 1.57 0.00 -1.26 -4.93 105.19 104.72 2k8i n GLY 154 Ca -0.04 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 2k8i n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8i n ALA 155 N -0.22 -0.20 -2.54 4.61 0.00 -1.26 -4.75 120.51 116.15 2k8i n ALA 155 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.64 2k8i n ALA 155 Cb 0.00 -1.50 0.07 0.00 0.00 0.00 0.00 19.45 18.02 2k8i n ALA 155 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2k8i n HIS 156 N -2.60 -1.13 -1.56 0.00 1.44 -1.26 -5.03 115.22 105.08 2k8i n HIS 156 Ca -0.13 -0.96 -0.32 0.00 -2.01 0.00 0.00 57.72 54.30 2k8i n HIS 156 Cb 0.44 1.09 0.02 0.00 0.12 0.00 0.00 29.99 31.66 2k8i n HIS 156 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2k8i n ASP 157 N -0.85 7.11 -1.47 4.39 8.00 -1.26 -4.47 116.55 127.99 2k8i n ASP 157 Ca -0.11 -3.54 -0.03 0.00 0.71 0.00 0.00 54.79 51.82 2k8i n ASP 157 Cb 0.71 -1.11 0.18 0.00 -0.02 0.00 0.00 41.12 40.88 2k8i n ASP 157 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2k8i n HIS 158 N -0.05 1.44 0.56 1.24 8.25 -1.26 -3.45 115.22 121.96 2k8i n HIS 158 Ca 0.51 -0.78 0.08 0.00 -0.26 0.00 0.00 57.72 57.27 2k8i n HIS 158 Cb 0.45 -0.47 0.08 0.00 1.12 0.00 0.00 29.99 31.17 2k8i n HIS 158 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k8i n HIS 159 N 0.02 0.06 -3.81 4.41 8.25 -1.26 -4.74 115.22 118.15 2k8i n HIS 159 Ca 0.24 -0.05 -0.28 0.00 -0.26 0.00 0.00 57.72 57.37 2k8i n HIS 159 Cb 0.96 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.95 2k8i n HIS 159 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k8i n HIS 160 N 0.88 3.28 -0.08 4.41 8.25 -1.22 -4.81 115.22 125.91 2k8i n HIS 160 Ca 0.10 -4.28 -0.14 0.00 -0.26 0.00 0.00 57.72 53.14 2k8i n HIS 160 Cb 0.40 -0.61 -0.07 0.00 1.12 0.00 0.00 29.99 30.83 2k8i n HIS 160 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2k8i n ASP 161 N 1.77 2.18 -3.66 0.41 -0.08 -1.26 -4.74 116.55 111.17 2k8i n ASP 161 Ca 0.22 0.02 -0.39 0.00 -1.51 0.00 0.00 54.79 53.13 2k8i n ASP 161 Cb 0.36 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.47 2k8i n ASP 161 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2k8i n HIS 162 N -3.27 2.81 -3.43 -0.67 -0.00 -1.26 -4.85 115.22 104.54 2k8i n HIS 162 Ca -0.31 -2.86 -0.26 0.00 0.46 0.00 0.00 57.72 54.75 2k8i n HIS 162 Cb 0.78 -1.08 -0.11 0.00 -0.12 0.00 0.00 29.99 29.46 2k8i n HIS 162 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2k8i s ASP 163 N -1.84 2.40 -0.09 0.26 2.15 -1.26 -5.11 116.67 113.18 2k8i s ASP 163 Ca 0.38 -2.16 -0.30 0.00 0.43 0.00 0.00 52.55 50.89 2k8i s ASP 163 Cb 0.15 -0.19 0.12 0.00 -0.30 0.00 0.00 42.92 42.70 2k8i s ASP 163 CO -0.04 -0.28 0.97 -1.38 -0.17 0.00 0.00 175.17 174.27 2k8i s HIS 164 N 1.03 -0.33 0.28 -5.34 -3.43 -1.26 -5.14 115.29 101.09 2k8i s HIS 164 Ca 0.20 0.37 0.03 0.00 -0.80 0.00 0.00 55.06 54.86 2k8i s HIS 164 Cb -0.18 0.50 -0.06 0.00 -1.43 0.00 0.00 32.58 31.41 2k8i s HIS 164 CO -0.02 -0.42 0.05 -0.51 -2.00 0.00 0.00 174.74 171.84 2k8i s ASP 165 N -1.86 1.93 0.19 7.38 1.01 -1.26 -5.12 116.67 118.95 2k8i s ASP 165 Ca 0.03 -1.33 0.00 0.00 0.71 0.00 0.00 52.55 51.96 2k8i s ASP 165 Cb -0.01 0.00 0.00 0.00 1.01 0.00 0.00 42.92 43.92 2k8i s ASP 165 CO -0.04 -0.60 0.00 1.41 0.21 0.00 0.00 175.17 176.15 2k8i n HIS 166 N -0.55 -2.80 -1.57 4.23 8.25 -1.26 -4.75 115.22 116.77 2k8i n HIS 166 Ca -0.03 0.90 0.02 0.00 -0.26 0.00 0.00 57.72 58.36 2k8i n HIS 166 Cb 0.66 -1.65 0.03 0.00 1.12 0.00 0.00 29.99 30.15 2k8i n HIS 166 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k8i n HIS 167 N -2.62 0.00 -3.64 4.41 8.25 -1.26 -5.02 115.22 115.34 2k8i n HIS 167 Ca 0.00 -0.26 -0.39 0.00 -0.26 0.00 0.00 57.72 56.81 2k8i n HIS 167 Cb 0.33 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 2k8i n HIS 167 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k8i s HIS 168 N -0.74 3.34 0.08 4.41 5.65 -1.26 -5.08 115.29 121.70 2k8i s HIS 168 Ca 0.08 -1.58 0.01 0.00 0.25 0.00 0.00 55.06 53.82 2k8i s HIS 168 Cb 0.07 -2.85 -0.04 0.00 -1.18 0.00 0.00 32.58 28.57 2k8i s HIS 168 CO 0.01 -0.84 0.20 -1.01 -0.65 0.00 0.00 174.74 172.46 2k8i s HIS 169 N 1.40 3.46 0.00 3.88 3.76 -1.26 -4.96 115.29 121.56 2k8i s HIS 169 Ca 0.03 0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 2k8i s HIS 169 Cb -0.22 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.75 2k8i s HIS 169 CO 0.02 0.56 0.00 1.58 -0.85 0.00 0.00 174.74 176.05 2k8i n HIS 170 N 0.13 0.00 -1.88 1.40 -0.00 -1.26 -5.31 115.22 108.30 2k8i n HIS 170 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 2k8i n HIS 170 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 2k8i n HIS 170 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06