#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qur s VAL 17 N 0.00 4.69 -1.09 1.39 1.01 0.65 -4.19 120.40 122.86 1qur s VAL 17 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1qur s VAL 17 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1qur s VAL 17 CO 0.00 0.53 0.61 -0.62 0.00 0.00 0.00 175.10 175.62 1qur n GLU 18 N 2.92 -4.46 -0.11 2.72 -0.58 -1.26 -2.15 120.64 117.71 1qur n GLU 18 Ca -0.18 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1qur n GLU 18 Cb 0.53 -5.01 0.00 0.00 -0.57 0.00 0.00 31.44 26.39 1qur n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qur n GLY 19 N -1.43 4.08 3.19 0.62 0.00 -1.26 -4.70 105.19 105.69 1qur n GLY 19 Ca -0.05 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 1qur n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qur s SER 20 N -0.30 0.25 0.36 1.61 1.04 -0.45 -4.90 113.70 111.31 1qur s SER 20 Ca 0.00 -1.09 -0.28 0.00 0.48 0.00 0.00 55.95 55.05 1qur s SER 20 Cb 0.00 0.33 -0.11 0.00 0.10 0.00 0.00 66.02 66.33 1qur s SER 20 CO 0.00 -0.76 1.50 0.47 0.98 0.00 0.00 173.24 175.43 1qur n ASP 21 N -0.11 3.79 -4.87 7.02 9.92 -1.26 -0.87 116.55 130.17 1qur n ASP 21 Ca -0.07 1.21 -0.31 0.00 -0.53 0.00 0.00 54.79 55.10 1qur n ASP 21 Cb 0.63 -1.61 -0.02 0.00 -0.64 0.00 0.00 41.12 39.48 1qur n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qur s ALA 22 N -0.92 3.22 0.44 2.24 0.00 -0.47 -4.76 121.76 121.52 1qur s ALA 22 Ca 0.55 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 52.31 1qur s ALA 22 Cb -0.48 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 1qur s ALA 22 CO 0.61 -0.25 0.80 -1.21 0.00 0.00 0.00 175.76 175.71 1qur s GLU 23 N -4.28 3.74 0.13 0.00 2.02 -1.26 -4.93 118.70 114.11 1qur s GLU 23 Ca 0.54 0.47 -0.31 0.00 0.02 0.00 0.00 54.97 55.68 1qur s GLU 23 Cb -0.10 -2.36 -0.10 0.00 0.10 0.00 0.00 34.13 31.67 1qur s GLU 23 CO 0.37 -0.11 1.73 0.42 0.02 0.00 0.00 175.26 177.69 1qur s ILE 24 N -2.50 2.62 -0.04 -1.63 1.09 -1.26 -1.97 121.20 117.51 1qur s ILE 24 Ca 0.51 0.22 0.00 0.00 -1.10 0.00 0.00 60.65 60.29 1qur s ILE 24 Cb -0.10 -3.14 0.00 0.00 -1.06 0.00 0.00 42.46 38.15 1qur s ILE 24 CO 0.35 0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.80 1qur n GLY 25 N 4.06 0.42 0.22 6.18 0.00 -1.26 -4.91 105.19 109.91 1qur n GLY 25 Ca 0.16 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1qur n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qur h MET 26 N 0.72 0.00 -1.80 1.61 -1.53 -1.78 -3.34 114.93 108.81 1qur h MET 26 Ca -0.01 0.00 -0.53 0.00 -3.44 0.00 0.00 59.70 55.73 1qur h MET 26 Cb 0.22 0.00 -0.36 0.00 -0.55 0.00 0.00 31.60 30.91 1qur h MET 26 CO 0.01 0.27 -1.04 0.45 0.14 0.00 0.00 176.91 176.73 1qur n SER 27 N -3.63 -0.16 0.00 1.39 2.88 -1.26 -4.98 113.62 107.87 1qur n SER 27 Ca -0.01 -2.75 0.04 0.00 -1.33 0.00 0.00 58.87 54.83 1qur n SER 27 Cb 0.39 -0.38 0.21 0.00 -0.75 0.00 0.00 64.21 63.68 1qur n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1qur n PRO 28 N 1.46 0.05 0.00 -1.46 -0.04 -1.26 -1.65 135.00 132.09 1qur n PRO 28 Ca 0.20 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 1qur n PRO 28 Cb 0.54 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.73 1qur n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1qur n TRP 29 N -1.42 0.00 -2.06 0.54 2.14 -1.07 -1.78 117.44 113.79 1qur n TRP 29 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 1qur n TRP 29 Cb 0.09 -0.08 -0.03 0.00 -0.81 0.00 0.00 31.31 30.49 1qur n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1qur s GLN 30 N -2.50 4.26 0.06 -2.67 2.00 -0.66 -0.42 119.66 119.73 1qur s GLN 30 Ca 0.22 2.19 0.09 0.00 -2.00 0.00 0.00 55.36 55.86 1qur s GLN 30 Cb 0.19 -3.34 -0.03 0.00 0.80 0.00 0.00 33.01 30.63 1qur s GLN 30 CO 0.54 -0.56 -0.25 0.08 -0.50 0.00 0.00 175.29 174.60 1qur s VAL 31 N 1.60 2.00 -0.18 1.34 1.01 -0.32 -4.08 120.40 121.77 1qur s VAL 31 Ca 0.68 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1qur s VAL 31 Cb -0.39 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1qur s VAL 31 CO 0.30 0.26 -0.04 -0.32 0.00 0.00 0.00 175.10 175.31 1qur s MET 32 N -1.36 3.56 -0.29 2.72 1.75 -0.28 -1.13 119.30 124.28 1qur s MET 32 Ca 0.11 -0.56 -0.18 0.00 -1.25 0.00 0.00 55.69 53.81 1qur s MET 32 Cb -0.10 -2.94 -0.02 0.00 2.84 0.00 0.00 34.83 34.61 1qur s MET 32 CO 0.03 0.09 0.51 -1.17 -0.65 0.00 0.00 175.02 173.83 1qur s LEU 33 N 0.74 4.12 -0.12 4.11 2.96 0.65 -1.18 118.68 129.96 1qur s LEU 33 Ca -0.02 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.29 1qur s LEU 33 Cb -0.15 -2.63 0.01 0.00 0.50 0.00 0.00 46.19 43.92 1qur s LEU 33 CO 0.02 -0.33 -0.22 0.12 -1.32 0.00 0.00 176.35 174.61 1qur s PHE 34 N 2.33 2.56 -0.00 5.38 5.36 0.11 -1.13 117.98 132.58 1qur s PHE 34 Ca 0.20 -1.17 -0.30 0.00 -0.96 0.00 0.00 56.93 54.70 1qur s PHE 34 Cb -0.16 -1.73 -0.04 0.00 -0.34 0.00 0.00 43.02 40.75 1qur s PHE 34 CO 0.10 -0.51 1.15 0.50 -1.46 0.00 0.00 175.22 175.01 1qur s ARG 35 N 0.60 4.42 0.17 10.12 3.52 -0.19 0.04 118.95 137.63 1qur s ARG 35 Ca -0.13 1.66 -0.14 0.00 -0.13 0.00 0.00 55.73 56.99 1qur s ARG 35 Cb -0.17 -3.46 0.13 0.00 -1.56 0.00 0.00 34.95 29.90 1qur s ARG 35 CO 0.03 -0.30 1.75 0.87 -0.81 0.00 0.00 175.30 176.84 1qur h LYS 36 N 7.07 0.32 -1.71 5.12 1.57 -1.73 -3.16 116.57 124.04 1qur h LYS 36 Ca -0.38 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.47 1qur h LYS 36 Cb 1.19 -0.07 -0.22 0.00 0.08 0.00 0.00 32.23 33.21 1qur h LYS 36 CO 0.83 0.21 0.04 0.45 -0.57 0.00 0.00 179.45 180.40 1qur s SER 36 N -5.38 -0.91 0.30 0.86 0.15 -1.26 -3.75 113.70 103.70 1qur s SER 36 Ca -0.13 1.30 -0.29 0.00 0.70 0.00 0.00 55.95 57.53 1qur s SER 36 Cb 0.14 1.87 -0.10 0.00 -1.71 0.00 0.00 66.02 66.22 1qur s SER 36 CO 0.72 -0.19 1.34 -2.16 1.20 0.00 0.00 173.24 174.16 1qur s PRO 37 N 2.40 4.34 -0.23 5.44 0.04 -1.26 -5.06 135.00 140.66 1qur s PRO 37 Ca -0.06 2.22 -0.31 0.00 0.04 0.00 0.00 61.00 62.89 1qur s PRO 37 Cb -0.08 -3.09 -0.08 0.00 0.04 0.00 0.00 34.50 31.29 1qur s PRO 37 CO -0.18 -0.25 2.18 1.04 0.04 0.00 0.00 177.00 179.82 1qur n GLN 38 N 1.35 1.76 -3.62 4.56 6.02 -1.25 -4.71 117.38 121.49 1qur n GLN 38 Ca 0.02 0.51 -0.14 0.00 -0.01 0.00 0.00 57.00 57.37 1qur n GLN 38 Cb 0.41 -2.96 -0.06 0.00 1.02 0.00 0.00 30.24 28.65 1qur n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1qur s GLU 39 N 6.07 0.94 -0.05 -1.09 -1.05 -1.19 -4.99 118.70 117.33 1qur s GLU 39 Ca 1.02 -0.14 -0.30 0.00 -0.15 0.00 0.00 54.97 55.40 1qur s GLU 39 Cb -0.52 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 33.57 1qur s GLU 39 CO 0.41 -0.31 1.08 -1.17 0.95 0.00 0.00 175.26 176.22 1qur s LEU 40 N -1.66 4.30 -0.27 1.83 2.96 -1.26 -1.03 118.68 123.54 1qur s LEU 40 Ca -0.08 1.71 -0.11 0.00 -0.22 0.00 0.00 54.13 55.42 1qur s LEU 40 Cb -0.02 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 42.98 1qur s LEU 40 CO 0.02 -0.45 -0.34 0.18 -1.32 0.00 0.00 176.35 174.44 1qur n LEU 41 N 4.69 2.12 -3.82 -0.68 4.32 -0.29 -4.93 117.00 118.40 1qur n LEU 41 Ca 0.09 0.26 -0.05 0.00 -0.02 0.00 0.00 56.01 56.29 1qur n LEU 41 Cb 0.48 -0.83 0.01 0.00 -1.62 0.00 0.00 43.42 41.46 1qur n LEU 41 CO 0.53 0.64 0.70 0.00 -1.22 0.00 0.00 177.39 178.04 1qur s GLY 43 N -3.15 1.85 0.24 0.00 0.00 0.36 -0.25 107.32 106.36 1qur s GLY 43 Ca 0.17 -1.61 -0.21 0.00 0.00 0.00 0.00 44.72 43.06 1qur s GLY 43 CO 0.06 -1.31 0.94 0.00 0.00 0.00 0.00 173.10 172.79 1qur s ALA 44 N -2.65 -1.37 0.03 3.20 0.00 -0.28 -3.49 121.76 117.20 1qur s ALA 44 Ca 0.58 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1qur s ALA 44 Cb -0.09 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 1qur s ALA 44 CO 0.37 -1.04 -0.07 -1.54 0.00 0.00 0.00 175.76 173.48 1qur s SER 45 N -3.18 0.83 -0.29 0.00 1.04 -0.05 -1.18 113.70 110.87 1qur s SER 45 Ca 0.17 -0.41 -0.17 0.00 0.48 0.00 0.00 55.95 56.02 1qur s SER 45 Cb -0.03 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 1qur s SER 45 CO 0.06 -0.11 0.48 -0.22 0.98 0.00 0.00 173.24 174.43 1qur s LEU 46 N -1.14 4.14 0.00 2.42 0.20 0.44 -0.54 118.68 124.21 1qur s LEU 46 Ca -0.06 0.28 0.14 0.00 0.69 0.00 0.00 54.13 55.19 1qur s LEU 46 Cb -0.08 -2.58 -0.06 0.00 -0.43 0.00 0.00 46.19 43.04 1qur s LEU 46 CO 0.00 -0.32 0.72 2.30 -0.29 0.00 0.00 176.35 178.76 1qur n ILE 47 N 5.23 0.00 -3.79 6.68 -5.35 -0.61 -1.87 119.36 119.65 1qur n ILE 47 Ca -0.05 -0.28 -0.02 0.00 -0.27 0.00 0.00 62.75 62.13 1qur n ILE 47 Cb 0.50 1.10 0.01 0.00 -1.74 0.00 0.00 39.64 39.52 1qur n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1qur n SER 48 N -0.63 -1.22 0.28 7.28 3.41 -1.19 -4.73 113.62 116.82 1qur n SER 48 Ca 0.05 -1.61 0.18 0.00 -0.26 0.00 0.00 58.87 57.23 1qur n SER 48 Cb 0.27 1.97 0.73 0.00 -0.26 0.00 0.00 64.21 66.92 1qur n SER 48 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1qur h ASP 49 N 1.43 0.00 0.00 4.04 2.03 -1.97 -3.25 116.42 118.71 1qur h ASP 49 Ca -0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 1qur h ASP 49 Cb 0.87 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 1qur h ASP 49 CO 0.26 0.00 0.00 -1.14 -1.03 0.00 0.00 179.24 177.33 1qur n ARG 50 N -3.07 0.88 -4.67 4.15 0.63 -1.26 -1.17 116.66 112.15 1qur n ARG 50 Ca 0.00 -0.86 -0.24 0.00 -0.92 0.00 0.00 57.85 55.83 1qur n ARG 50 Cb 0.28 -0.89 -0.16 0.00 0.45 0.00 0.00 32.46 32.15 1qur n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1qur s TRP 51 N -0.41 1.43 -0.04 -0.14 0.52 -1.23 -0.88 118.94 118.19 1qur s TRP 51 Ca 0.00 -0.40 0.07 0.00 0.02 0.00 0.00 56.10 55.79 1qur s TRP 51 Cb 0.00 -0.98 -0.01 0.00 -1.15 0.00 0.00 33.47 31.33 1qur s TRP 51 CO 0.00 -0.14 -0.25 0.08 0.02 0.00 0.00 176.95 176.65 1qur s VAL 52 N 0.11 2.05 -0.11 4.03 1.01 -0.50 -1.58 120.40 125.42 1qur s VAL 52 Ca -0.04 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1qur s VAL 52 Cb -0.11 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1qur s VAL 52 CO 0.02 0.57 -0.05 -0.22 0.00 0.00 0.00 175.10 175.41 1qur s LEU 53 N -0.32 3.21 0.00 3.92 2.96 0.30 -0.90 118.68 127.85 1qur s LEU 53 Ca 0.01 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1qur s LEU 53 Cb -0.12 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.85 1qur s LEU 53 CO 0.02 0.27 0.44 1.07 -1.32 0.00 0.00 176.35 176.84 1qur n THR 54 N 2.82 0.00 -3.22 3.68 5.66 -0.60 -0.87 114.28 121.76 1qur n THR 54 Ca -0.18 -1.09 -0.37 0.00 -3.05 0.00 0.00 64.05 59.36 1qur n THR 54 Cb 0.53 0.78 -0.06 0.00 -1.55 0.00 0.00 70.33 70.03 1qur n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qur s ALA 55 N -2.21 3.51 0.41 1.79 0.00 -1.26 -1.32 121.76 122.69 1qur s ALA 55 Ca 0.18 0.05 0.13 0.00 0.00 0.00 0.00 51.96 52.32 1qur s ALA 55 Cb -0.02 -2.68 0.87 0.00 0.00 0.00 0.00 23.12 21.29 1qur s ALA 55 CO 0.13 0.39 1.92 0.00 0.00 0.00 0.00 175.76 178.19 1qur h ALA 56 N 3.80 1.56 0.00 0.00 0.00 -1.70 -2.40 119.26 120.52 1qur h ALA 56 Ca -0.48 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1qur h ALA 56 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1qur h ALA 56 CO 0.65 0.33 0.00 1.12 0.00 0.00 0.00 179.25 181.35 1qur h HIS 57 N 0.02 0.00 0.00 0.00 2.07 -1.90 0.57 115.15 115.91 1qur h HIS 57 Ca 0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 1qur h HIS 57 Cb 0.46 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.43 1qur h HIS 57 CO 0.00 0.00 -0.28 0.00 -3.07 0.00 0.00 177.93 174.58 1qur n LEU 59 N -3.47 0.88 -3.70 0.00 4.77 -0.32 -4.90 117.00 110.26 1qur n LEU 59 Ca -0.00 -0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 1qur n LEU 59 Cb 0.45 0.05 -0.18 0.00 -2.33 0.00 0.00 43.42 41.41 1qur n LEU 59 CO 0.35 0.41 -0.35 -0.22 -1.33 0.00 0.00 177.39 176.24 1qur s LEU 60 N -5.10 0.36 0.17 2.23 2.96 0.04 -0.86 118.68 118.49 1qur s LEU 60 Ca -0.09 -0.10 -0.16 0.00 -0.22 0.00 0.00 54.13 53.56 1qur s LEU 60 Cb 0.04 -0.27 0.03 0.00 0.50 0.00 0.00 46.19 46.48 1qur s LEU 60 CO 0.41 -0.25 0.45 -0.47 -1.32 0.00 0.00 176.35 175.17 1qur s TYR 60 N 2.09 -0.08 0.00 5.38 5.04 0.14 -4.17 117.35 125.75 1qur s TYR 60 Ca 0.04 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.42 1qur s TYR 60 Cb -0.13 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.47 1qur s TYR 60 CO -0.05 -0.82 0.00 -2.30 -1.34 0.00 0.00 175.55 171.04 1qur n PRO 60 N -0.29 0.00 -0.44 4.97 -0.02 -1.26 -2.30 135.00 135.66 1qur n PRO 60 Ca -0.12 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.42 1qur n PRO 60 Cb 0.63 0.00 0.20 0.00 -0.02 0.00 0.00 33.50 34.31 1qur n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1qur n TRP 60 N 0.00 0.59 -3.33 6.00 8.01 -1.26 -4.96 117.44 122.49 1qur n TRP 60 Ca 0.00 -1.16 -0.23 0.00 -1.31 0.00 0.00 57.50 54.80 1qur n TRP 60 Cb 0.00 -0.30 0.00 0.00 -2.01 0.00 0.00 31.31 29.00 1qur n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1qur n ASP 60 N -1.00 -3.98 -4.64 -0.99 9.92 -1.19 -4.93 116.55 109.73 1qur n ASP 60 Ca 0.22 -0.38 -0.38 0.00 -0.53 0.00 0.00 54.79 53.72 1qur n ASP 60 Cb 0.83 -3.28 -0.09 0.00 -0.64 0.00 0.00 41.12 37.94 1qur n ASP 60 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1qur s LYS 60 N -5.98 4.09 -0.41 -1.24 2.20 -0.97 -4.98 119.74 112.45 1qur s LYS 60 Ca 0.39 0.05 0.08 0.00 -0.36 0.00 0.00 55.97 56.12 1qur s LYS 60 Cb -0.20 -3.59 0.18 0.00 -1.51 0.00 0.00 37.83 32.71 1qur s LYS 60 CO 0.48 -0.12 0.61 1.21 -0.36 0.00 0.00 175.35 177.18 1qur s ASN 60 N 1.29 -1.38 0.18 1.43 2.47 -1.23 -0.68 114.94 117.02 1qur s ASN 60 Ca 0.15 -0.82 -0.11 0.00 0.42 0.00 0.00 52.86 52.50 1qur s ASN 60 Cb -0.15 1.88 -0.07 0.00 -1.45 0.00 0.00 41.25 41.47 1qur s ASN 60 CO 0.08 -0.18 0.52 -0.36 -3.72 0.00 0.00 177.10 173.45 1qur s PHE 60 N 1.83 3.51 0.45 0.43 0.08 -0.04 -5.03 117.98 119.22 1qur s PHE 60 Ca 0.16 0.92 0.07 0.00 0.12 0.00 0.00 56.93 58.19 1qur s PHE 60 Cb -0.05 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 40.10 1qur s PHE 60 CO -0.07 0.37 0.26 0.95 -0.10 0.00 0.00 175.22 176.62 1qur s THR 60 N -1.63 2.14 0.35 0.64 -4.23 -1.26 -4.90 115.64 106.74 1qur s THR 60 Ca 0.42 -1.60 0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1qur s THR 60 Cb -0.13 -2.74 0.30 0.00 1.34 0.00 0.00 72.50 71.27 1qur s THR 60 CO 0.20 0.00 1.91 1.05 -0.54 0.00 0.00 174.62 177.25 1qur h GLU 61 N 1.19 0.77 0.00 3.99 9.09 -1.94 -1.31 114.58 126.37 1qur h GLU 61 Ca -0.41 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1qur h GLU 61 Cb 1.27 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.20 1qur h GLU 61 CO 0.65 0.51 0.00 0.09 0.05 0.00 0.00 179.01 180.31 1qur n ASN 62 N -4.51 0.59 0.06 3.06 4.13 -1.26 -3.12 115.26 114.20 1qur n ASN 62 Ca 0.14 0.67 0.13 0.00 1.68 0.00 0.00 54.58 57.19 1qur n ASN 62 Cb 0.31 -0.78 0.36 0.00 -1.54 0.00 0.00 39.78 38.12 1qur n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1qur n ASP 63 N -2.18 0.58 -4.17 6.41 10.43 -0.49 -4.93 116.55 122.21 1qur n ASP 63 Ca 0.02 0.33 -0.11 0.00 2.57 0.00 0.00 54.79 57.59 1qur n ASP 63 Cb 0.19 -0.33 -0.10 0.00 1.84 0.00 0.00 41.12 42.72 1qur n ASP 63 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1qur s LEU 64 N -3.96 1.41 0.11 0.64 1.02 -1.18 -2.00 118.68 114.72 1qur s LEU 64 Ca 0.10 -1.29 0.07 0.00 0.02 0.00 0.00 54.13 53.04 1qur s LEU 64 Cb 0.15 0.39 -0.04 0.00 0.02 0.00 0.00 46.19 46.71 1qur s LEU 64 CO 0.63 -0.80 -0.18 -0.76 0.02 0.00 0.00 176.35 175.26 1qur s LEU 65 N -3.10 2.33 -0.16 1.79 1.43 0.11 -4.45 118.68 116.62 1qur s LEU 65 Ca 0.31 -0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1qur s LEU 65 Cb 0.07 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 1qur s LEU 65 CO 0.07 -0.01 -0.03 -0.69 0.23 0.00 0.00 176.35 175.91 1qur s VAL 66 N -1.46 3.87 -0.24 -1.59 1.01 -0.12 -0.72 120.40 121.16 1qur s VAL 66 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1qur s VAL 66 Cb -0.09 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.61 1qur s VAL 66 CO 0.04 0.48 -0.07 -0.13 0.00 0.00 0.00 175.10 175.43 1qur s ARG 67 N 0.49 2.99 -0.04 2.72 0.52 -0.33 -0.62 118.95 124.69 1qur s ARG 67 Ca -0.03 -0.87 0.04 0.00 -0.52 0.00 0.00 55.73 54.34 1qur s ARG 67 Cb -0.14 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 1qur s ARG 67 CO 0.03 -0.33 -0.14 0.42 0.02 0.00 0.00 175.30 175.30 1qur s ILE 68 N 1.37 3.09 0.00 1.52 1.01 0.54 -1.12 121.20 127.61 1qur s ILE 68 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1qur s ILE 68 Cb -0.16 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1qur s ILE 68 CO -0.05 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1qur n GLY 69 N 2.25 0.69 3.89 6.18 0.00 -1.26 0.53 105.19 117.48 1qur n GLY 69 Ca -0.17 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 1qur n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qur s LYS 70 N -0.76 3.69 0.03 1.61 1.02 -1.26 -4.24 119.74 119.83 1qur s LYS 70 Ca 0.00 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1qur s LYS 70 Cb 0.00 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1qur s LYS 70 CO 0.00 -0.07 0.00 1.58 -0.92 0.00 0.00 175.35 175.94 1qur n HIS 71 N -1.57 -0.17 -2.62 3.18 -0.00 -1.26 -4.94 115.22 107.84 1qur n HIS 71 Ca 0.02 0.03 -0.38 0.00 -0.00 0.00 0.00 57.72 57.38 1qur n HIS 71 Cb 0.54 0.19 -0.05 0.00 -0.00 0.00 0.00 29.99 30.67 1qur n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1qur s SER 72 N -5.11 7.22 -0.01 0.26 0.15 -1.26 -1.22 113.70 113.72 1qur s SER 72 Ca 0.00 2.05 -0.20 0.00 0.70 0.00 0.00 55.95 58.49 1qur s SER 72 Cb 0.00 -2.60 -0.27 0.00 -1.71 0.00 0.00 66.02 61.44 1qur s SER 72 CO 0.00 -0.16 1.02 -0.09 1.20 0.00 0.00 173.24 175.21 1qur h ARG 73 N 3.37 0.38 0.03 5.44 2.43 -1.73 -3.40 114.38 120.89 1qur h ARG 73 Ca -0.47 -0.49 -0.34 0.00 -0.81 0.00 0.00 59.98 57.87 1qur h ARG 73 Cb 1.21 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.87 1qur h ARG 73 CO 0.65 1.18 -2.05 0.25 -1.51 0.00 0.00 179.97 178.49 1qur n THR 74 N -4.16 1.59 -1.58 0.20 -2.24 -1.26 -5.00 114.28 101.83 1qur n THR 74 Ca -0.12 -0.74 -0.32 0.00 -2.27 0.00 0.00 64.05 60.60 1qur n THR 74 Cb 0.75 -1.15 0.06 0.00 -2.10 0.00 0.00 70.33 67.89 1qur n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1qur s ARG 75 N -2.55 2.59 -0.55 -0.78 0.52 -1.26 -4.99 118.95 111.92 1qur s ARG 75 Ca -0.15 1.33 -0.17 0.00 -0.52 0.00 0.00 55.73 56.22 1qur s ARG 75 Cb 0.07 -1.93 0.12 0.00 0.52 0.00 0.00 34.95 33.73 1qur s ARG 75 CO 0.78 -1.41 0.56 -0.47 0.02 0.00 0.00 175.30 174.78 1qur s TYR 76 N -2.51 3.17 -1.20 -0.53 5.04 -1.26 -4.91 117.35 115.15 1qur s TYR 76 Ca 0.65 -1.17 -0.22 0.00 -2.44 0.00 0.00 57.07 53.89 1qur s TYR 76 Cb -0.20 -3.84 -0.05 0.00 0.35 0.00 0.00 41.96 38.23 1qur s TYR 76 CO 0.46 -1.09 1.88 -1.21 -1.34 0.00 0.00 175.55 174.25 1qur s GLU 77 N 1.93 2.86 0.29 4.97 2.02 -1.26 -4.93 118.70 124.57 1qur s GLU 77 Ca 0.06 -1.33 -0.30 0.00 0.02 0.00 0.00 54.97 53.42 1qur s GLU 77 Cb -0.28 -5.31 -0.13 0.00 0.10 0.00 0.00 34.13 28.51 1qur s GLU 77 CO 0.04 -3.55 1.34 -2.13 0.02 0.00 0.00 175.26 170.99 1qur n ARG 77 N 8.33 2.07 -0.52 1.61 0.63 -1.26 -1.48 116.66 126.04 1qur n ARG 77 Ca 0.45 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 58.11 1qur n ARG 77 Cb 0.46 -2.34 0.00 0.00 0.45 0.00 0.00 32.46 31.03 1qur n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1qur n ASN 78 N 1.49 0.00 0.04 6.15 5.03 -1.26 -4.75 115.26 121.96 1qur n ASN 78 Ca 0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.53 1qur n ASN 78 Cb 0.34 -0.67 0.00 0.00 -1.02 0.00 0.00 39.78 38.42 1qur n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1qur n ILE 79 N -2.00 1.01 -1.90 2.41 5.41 -0.57 -5.06 119.36 118.65 1qur n ILE 79 Ca 0.00 0.33 -0.33 0.00 1.00 0.00 0.00 62.75 63.76 1qur n ILE 79 Cb 0.00 -1.47 0.03 0.00 -0.71 0.00 0.00 39.64 37.48 1qur n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1qur s GLU 80 N -1.82 3.12 0.05 0.38 -1.05 -0.55 -4.81 118.70 114.03 1qur s GLU 80 Ca 0.00 1.22 0.07 0.00 -0.15 0.00 0.00 54.97 56.11 1qur s GLU 80 Cb 0.00 -2.00 -0.03 0.00 -0.44 0.00 0.00 34.13 31.66 1qur s GLU 80 CO 0.00 -0.97 -0.20 0.21 0.95 0.00 0.00 175.26 175.26 1qur s LYS 81 N -4.21 1.28 -0.05 -4.83 2.47 0.19 -4.91 119.74 109.68 1qur s LYS 81 Ca 0.64 -0.93 0.05 0.00 -1.56 0.00 0.00 55.97 54.16 1qur s LYS 81 Cb -0.17 -1.39 -0.02 0.00 -1.46 0.00 0.00 37.83 34.79 1qur s LYS 81 CO 0.41 0.35 -0.20 0.42 0.16 0.00 0.00 175.35 176.49 1qur s ILE 82 N -0.85 2.57 0.08 5.43 1.01 -1.26 -0.34 121.20 127.84 1qur s ILE 82 Ca 0.06 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1qur s ILE 82 Cb -0.09 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1qur s ILE 82 CO 0.02 0.58 -0.11 -0.44 0.00 0.00 0.00 174.94 174.99 1qur s SER 83 N -0.54 1.38 0.20 3.58 0.01 0.21 -4.98 113.70 113.56 1qur s SER 83 Ca 0.07 -0.69 0.06 0.00 1.31 0.00 0.00 55.95 56.70 1qur s SER 83 Cb -0.11 -0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 1qur s SER 83 CO 0.01 -0.19 0.18 -0.04 0.41 0.00 0.00 173.24 173.61 1qur s MET 84 N -2.19 2.97 -0.00 12.44 -1.94 -1.26 -0.94 119.30 128.37 1qur s MET 84 Ca -0.00 -0.93 -0.17 0.00 -1.71 0.00 0.00 55.69 52.87 1qur s MET 84 Cb -0.07 -2.64 -0.06 0.00 2.01 0.00 0.00 34.83 34.08 1qur s MET 84 CO 0.01 0.45 0.49 -0.51 -0.01 0.00 0.00 175.02 175.45 1qur s LEU 85 N -3.47 4.45 -0.15 -0.03 1.43 -1.26 -1.40 118.68 118.25 1qur s LEU 85 Ca 0.32 1.05 -0.09 0.00 -1.03 0.00 0.00 54.13 54.38 1qur s LEU 85 Cb -0.09 -2.74 -0.24 0.00 0.03 0.00 0.00 46.19 43.15 1qur s LEU 85 CO 0.25 0.22 0.28 1.21 0.23 0.00 0.00 176.35 178.54 1qur n GLU 86 N 2.24 0.71 -3.54 1.70 2.13 0.28 -4.72 120.64 119.45 1qur n GLU 86 Ca -0.11 0.32 -0.17 0.00 0.66 0.00 0.00 57.16 57.86 1qur n GLU 86 Cb 0.52 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 30.47 1qur n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1qur s LYS 87 N -2.52 0.99 -0.04 5.31 2.20 -1.15 -4.99 119.74 119.55 1qur s LYS 87 Ca -0.25 0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.75 1qur s LYS 87 Cb 0.07 0.47 -0.03 0.00 -1.51 0.00 0.00 37.83 36.83 1qur s LYS 87 CO 0.72 -0.29 -0.11 0.42 -0.36 0.00 0.00 175.35 175.73 1qur s ILE 88 N -0.95 3.30 -0.12 5.43 1.01 -1.26 -0.47 121.20 128.13 1qur s ILE 88 Ca -0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 1qur s ILE 88 Cb -0.01 -2.33 0.04 0.00 0.01 0.00 0.00 42.46 40.16 1qur s ILE 88 CO 0.08 0.56 -0.03 -0.31 0.00 0.00 0.00 174.94 175.24 1qur s TYR 89 N -0.80 1.18 -0.03 3.97 1.51 0.33 -5.01 117.35 118.51 1qur s TYR 89 Ca 0.13 -0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1qur s TYR 89 Cb -0.11 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 1qur s TYR 89 CO 0.02 -0.49 0.06 0.42 -1.11 0.00 0.00 175.55 174.45 1qur s ILE 90 N 1.81 4.63 0.14 2.71 1.01 -1.26 -0.77 121.20 129.48 1qur s ILE 90 Ca 0.03 -0.37 -0.32 0.00 0.00 0.00 0.00 60.65 59.99 1qur s ILE 90 Cb -0.14 -3.08 -0.12 0.00 0.01 0.00 0.00 42.46 39.14 1qur s ILE 90 CO -0.07 0.42 1.75 1.57 0.00 0.00 0.00 174.94 178.60 1qur n HIS 91 N 1.43 2.57 0.32 3.97 -0.00 -1.08 -4.83 115.22 117.59 1qur n HIS 91 Ca -0.15 0.02 0.19 0.00 -0.00 0.00 0.00 57.72 57.78 1qur n HIS 91 Cb 0.53 -2.67 1.03 0.00 -0.00 0.00 0.00 29.99 28.88 1qur n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1qur h PRO 92 N 7.42 0.00 -0.27 1.57 0.13 -1.95 -1.78 132.00 137.12 1qur h PRO 92 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1qur h PRO 92 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1qur h PRO 92 CO 0.94 0.00 -0.02 0.54 -0.23 0.00 0.00 178.00 179.23 1qur n ARG 93 N -3.17 2.40 -1.75 0.86 1.74 -1.26 -4.98 116.66 110.50 1qur n ARG 93 Ca -0.02 -2.93 -0.42 0.00 -0.77 0.00 0.00 57.85 53.71 1qur n ARG 93 Cb 0.21 -1.81 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 1qur n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1qur s TYR 94 N -2.98 1.65 -1.14 -1.55 5.04 -0.67 -4.74 117.35 112.96 1qur s TYR 94 Ca 0.42 -0.21 -0.08 0.00 -2.44 0.00 0.00 57.07 54.76 1qur s TYR 94 Cb 0.36 -4.16 0.26 0.00 0.35 0.00 0.00 41.96 38.77 1qur s TYR 94 CO 0.05 -5.03 1.39 -1.71 -1.34 0.00 0.00 175.55 168.91 1qur n ASN 95 N 6.96 5.72 0.25 4.32 2.85 -0.31 -4.77 115.26 130.28 1qur n ASN 95 Ca 0.19 -3.16 0.14 0.00 -0.11 0.00 0.00 54.58 51.64 1qur n ASN 95 Cb 0.41 -1.39 0.53 0.00 1.24 0.00 0.00 39.78 40.57 1qur n ASN 95 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1qur h TRP 96 N 6.20 0.00 -0.42 1.20 5.08 -1.91 -0.52 115.95 125.59 1qur h TRP 96 Ca 0.24 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.16 1qur h TRP 96 Cb 0.75 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.89 1qur h TRP 96 CO 0.96 0.08 0.05 0.00 -1.28 0.00 0.00 178.44 178.25 1qur h ARG 97 N 0.00 0.65 0.00 0.12 3.08 -1.99 -3.43 114.38 112.80 1qur h ARG 97 Ca -0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1qur h ARG 97 Cb 0.68 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1qur h ARG 97 CO 0.01 0.63 -0.46 -0.85 -1.07 0.00 0.00 179.97 178.22 1qur n GLU 97 N -4.28 0.00 -0.17 0.04 0.28 -1.22 -5.01 120.64 110.28 1qur n GLU 97 Ca 0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.04 1qur n GLU 97 Cb 0.23 -0.34 0.02 0.00 1.43 0.00 0.00 31.44 32.78 1qur n GLU 97 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1qur n ASN 98 N -3.05 0.67 -1.76 -1.84 2.04 -1.22 -4.95 115.26 105.14 1qur n ASN 98 Ca 0.00 -1.79 -0.18 0.00 -0.44 0.00 0.00 54.58 52.17 1qur n ASN 98 Cb 0.23 -0.13 -0.04 0.00 -2.53 0.00 0.00 39.78 37.32 1qur n ASN 98 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1qur n LEU 99 N -0.29 -1.60 -4.76 -4.53 4.32 -0.20 -4.95 117.00 104.98 1qur n LEU 99 Ca 0.02 0.17 -0.41 0.00 -0.02 0.00 0.00 56.01 55.77 1qur n LEU 99 Cb 0.55 -2.55 -0.01 0.00 -1.62 0.00 0.00 43.42 39.78 1qur n LEU 99 CO 0.00 -0.49 1.11 -0.62 -1.22 0.00 0.00 177.39 176.17 1qur s ASP 100 N -2.45 6.53 -1.04 -1.43 3.68 -1.25 -2.85 116.67 117.86 1qur s ASP 100 Ca 0.00 2.86 -0.00 0.00 2.13 0.00 0.00 52.55 57.54 1qur s ASP 100 Cb 0.00 -2.65 0.00 0.00 -1.45 0.00 0.00 42.92 38.82 1qur s ASP 100 CO 0.00 -0.75 0.86 0.54 0.13 0.00 0.00 175.17 175.95 1qur n ARG 101 N 1.23 -5.73 -2.74 4.34 1.74 -1.26 -1.17 116.66 113.07 1qur n ARG 101 Ca 0.03 0.73 -0.43 0.00 -0.77 0.00 0.00 57.85 57.41 1qur n ARG 101 Cb 0.40 -5.40 -0.01 0.00 -1.02 0.00 0.00 32.46 26.43 1qur n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1qur s ASP 102 N -4.15 6.87 -0.04 0.55 2.15 -1.13 -4.34 116.67 116.57 1qur s ASP 102 Ca 0.01 -2.50 -0.17 0.00 0.43 0.00 0.00 52.55 50.32 1qur s ASP 102 Cb -0.00 -2.50 0.03 0.00 -0.30 0.00 0.00 42.92 40.15 1qur s ASP 102 CO 0.63 -1.05 0.37 -0.51 -0.17 0.00 0.00 175.17 174.44 1qur s ILE 103 N 3.24 0.04 -0.12 4.11 2.07 -1.26 -3.93 121.20 125.35 1qur s ILE 103 Ca 0.47 -0.35 -0.22 0.00 -1.41 0.00 0.00 60.65 59.14 1qur s ILE 103 Cb 0.00 -0.65 0.05 0.00 0.13 0.00 0.00 42.46 42.00 1qur s ILE 103 CO 0.02 -0.19 0.55 0.00 -1.91 0.00 0.00 174.94 173.41 1qur s ALA 104 N -1.08 -1.39 0.05 1.50 0.00 -0.43 -2.64 121.76 117.76 1qur s ALA 104 Ca -0.11 1.27 0.05 0.00 0.00 0.00 0.00 51.96 53.16 1qur s ALA 104 Cb -0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1qur s ALA 104 CO 0.04 -0.30 -0.07 -0.51 0.00 0.00 0.00 175.76 174.92 1qur s LEU 105 N -0.47 3.15 -0.11 0.00 1.43 0.05 -1.55 118.68 121.18 1qur s LEU 105 Ca -0.06 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1qur s LEU 105 Cb -0.03 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.34 1qur s LEU 105 CO 0.04 0.23 -0.09 -0.04 0.23 0.00 0.00 176.35 176.72 1qur s MET 106 N -1.82 1.62 -0.12 1.70 -1.94 -0.08 -0.51 119.30 118.16 1qur s MET 106 Ca 0.20 -0.31 -0.17 0.00 -1.71 0.00 0.00 55.69 53.70 1qur s MET 106 Cb -0.11 -1.61 -0.04 0.00 2.01 0.00 0.00 34.83 35.08 1qur s MET 106 CO 0.11 -0.22 0.44 0.21 -0.01 0.00 0.00 175.02 175.55 1qur s LYS 107 N 1.53 4.29 0.40 2.03 2.20 0.38 -1.41 119.74 129.16 1qur s LYS 107 Ca 0.02 0.38 -0.19 0.00 -0.36 0.00 0.00 55.97 55.82 1qur s LYS 107 Cb -0.13 -3.42 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 1qur s LYS 107 CO -0.07 0.22 0.89 -0.51 -0.36 0.00 0.00 175.35 175.52 1qur s LEU 108 N 0.45 3.98 0.13 5.43 1.43 -0.06 -0.55 118.68 129.49 1qur s LEU 108 Ca 0.24 1.57 -0.16 0.00 -1.03 0.00 0.00 54.13 54.75 1qur s LEU 108 Cb -0.15 -4.39 -0.01 0.00 0.03 0.00 0.00 46.19 41.66 1qur s LEU 108 CO 0.09 -0.31 1.67 0.11 0.23 0.00 0.00 176.35 178.15 1qur h LYS 109 N 2.04 0.57 -5.56 1.70 1.57 -1.52 -3.41 116.57 111.96 1qur h LYS 109 Ca -0.49 -0.10 -0.45 0.00 -1.87 0.00 0.00 60.65 57.74 1qur h LYS 109 Cb 1.18 -0.09 -0.22 0.00 0.08 0.00 0.00 32.23 33.18 1qur h LYS 109 CO 0.62 0.55 -0.79 0.15 -0.57 0.00 0.00 179.45 179.41 1qur s LYS 110 N -5.54 0.91 0.47 3.15 1.02 -1.26 -4.97 119.74 113.52 1qur s LYS 110 Ca -0.13 -0.99 -0.24 0.00 0.02 0.00 0.00 55.97 54.62 1qur s LYS 110 Cb 0.10 -0.98 -0.07 0.00 -0.52 0.00 0.00 37.83 36.35 1qur s LYS 110 CO 0.75 0.22 1.34 -2.14 -0.92 0.00 0.00 175.35 174.60 1qur s PRO 111 N -1.74 3.60 0.23 -1.68 0.02 -1.26 -4.88 135.00 129.30 1qur s PRO 111 Ca 0.00 2.21 -0.09 0.00 0.02 0.00 0.00 61.00 63.15 1qur s PRO 111 Cb -0.10 -2.53 -0.07 0.00 0.02 0.00 0.00 34.50 31.82 1qur s PRO 111 CO 0.03 -0.81 0.53 0.54 -0.33 0.00 0.00 177.00 176.96 1qur s VAL 112 N -1.29 4.97 -0.11 3.83 0.11 -0.32 -5.01 120.40 122.58 1qur s VAL 112 Ca 0.63 0.37 -0.14 0.00 -2.93 0.00 0.00 61.98 59.91 1qur s VAL 112 Cb -0.39 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 30.78 1qur s VAL 112 CO 0.49 -0.10 0.35 0.00 -3.33 0.00 0.00 175.10 172.51 1qur s ALA 113 N -1.84 3.61 0.75 1.54 0.00 -1.26 -4.82 121.76 119.74 1qur s ALA 113 Ca 0.46 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 1qur s ALA 113 Cb -0.11 -2.42 0.04 0.00 0.00 0.00 0.00 23.12 20.63 1qur s ALA 113 CO 0.23 0.21 1.08 -0.06 0.00 0.00 0.00 175.76 177.22 1qur s PHE 114 N -0.01 2.93 0.03 0.00 0.08 -1.26 -4.92 117.98 114.83 1qur s PHE 114 Ca 0.20 1.32 -0.02 0.00 0.12 0.00 0.00 56.93 58.55 1qur s PHE 114 Cb -0.14 -3.00 0.01 0.00 -0.57 0.00 0.00 43.02 39.32 1qur s PHE 114 CO 0.08 -1.53 0.11 -1.13 -0.10 0.00 0.00 175.22 172.65 1qur n SER 115 N -3.31 -0.24 0.28 1.36 3.41 -0.59 -4.94 113.62 109.59 1qur n SER 115 Ca 0.07 -1.15 0.12 0.00 -0.26 0.00 0.00 58.87 57.66 1qur n SER 115 Cb 0.55 0.40 0.80 0.00 -0.26 0.00 0.00 64.21 65.69 1qur n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qur h ASP 116 N 0.24 0.00 -0.01 4.04 3.45 -2.00 -2.99 116.42 119.16 1qur h ASP 116 Ca -0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.42 1qur h ASP 116 Cb 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 1qur h ASP 116 CO 0.05 0.03 -0.34 -1.22 -1.57 0.00 0.00 179.24 176.18 1qur n TYR 117 N -4.04 0.00 -3.88 4.55 4.02 -1.26 -4.80 117.16 111.74 1qur n TYR 117 Ca -0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.58 1qur n TYR 117 Cb 0.11 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.27 1qur n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1qur s ILE 118 N -1.75 1.06 -0.28 -0.72 1.01 -1.13 -4.28 121.20 115.12 1qur s ILE 118 Ca 0.10 -0.57 -0.23 0.00 0.00 0.00 0.00 60.65 59.94 1qur s ILE 118 Cb 0.10 -1.23 0.09 0.00 0.01 0.00 0.00 42.46 41.43 1qur s ILE 118 CO 0.37 0.14 0.79 -2.28 0.00 0.00 0.00 174.94 173.97 1qur s HIS 119 N 1.66 -0.76 0.55 3.97 2.46 -0.73 -1.54 115.29 120.90 1qur s HIS 119 Ca 0.01 1.76 -0.18 0.00 0.47 0.00 0.00 55.06 57.13 1qur s HIS 119 Cb -0.15 0.35 -0.06 0.00 -0.13 0.00 0.00 32.58 32.60 1qur s HIS 119 CO -0.08 -0.37 1.05 -1.25 -2.47 0.00 0.00 174.74 171.63 1qur s PRO 120 N 0.61 3.51 0.25 2.88 0.04 -1.26 -2.59 135.00 138.44 1qur s PRO 120 Ca -0.01 1.28 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 1qur s PRO 120 Cb -0.05 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1qur s PRO 120 CO -0.05 -0.66 0.48 0.54 0.04 0.00 0.00 177.00 177.35 1qur s VAL 121 N -2.25 5.11 0.43 -0.36 0.11 -0.78 -4.92 120.40 117.74 1qur s VAL 121 Ca 0.65 -0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 59.42 1qur s VAL 121 Cb -0.16 -3.74 -0.06 0.00 -1.53 0.00 0.00 36.38 30.88 1qur s VAL 121 CO 0.30 -0.27 0.81 0.00 -3.33 0.00 0.00 175.10 172.60 1qur s LEU 123 N -3.92 3.97 0.50 0.00 1.43 -1.26 -1.29 118.68 118.11 1qur s LEU 123 Ca 0.52 0.30 -0.22 0.00 -1.03 0.00 0.00 54.13 53.70 1qur s LEU 123 Cb -0.10 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 1qur s LEU 123 CO 0.32 0.38 1.24 -2.16 0.23 0.00 0.00 176.35 176.36 1qur s PRO 124 N -0.90 3.47 0.42 1.29 0.04 -1.26 -4.95 135.00 133.11 1qur s PRO 124 Ca 0.14 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.17 1qur s PRO 124 Cb -0.12 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1qur s PRO 124 CO 0.03 -0.84 0.60 0.16 0.04 0.00 0.00 177.00 176.99 1qur s ASP 125 N -1.23 5.76 0.26 6.66 -4.77 -1.26 -4.90 116.67 117.19 1qur s ASP 125 Ca 0.68 -0.07 -0.01 0.00 -3.30 0.00 0.00 52.55 49.84 1qur s ASP 125 Cb -0.33 -1.15 0.53 0.00 -1.09 0.00 0.00 42.92 40.88 1qur s ASP 125 CO 0.39 -0.69 1.74 -0.09 0.70 0.00 0.00 175.17 177.23 1qur h ARG 126 N 0.57 0.52 -0.05 2.11 1.12 -1.97 -2.76 114.38 113.92 1qur h ARG 126 Ca -0.44 -0.03 -0.22 0.00 -1.11 0.00 0.00 59.98 58.18 1qur h ARG 126 Cb 1.27 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1qur h ARG 126 CO 0.52 0.35 -0.86 1.49 -3.11 0.00 0.00 179.97 178.36 1qur h GLU 127 N 0.54 0.52 -1.25 0.20 4.57 -2.04 -2.16 114.58 114.96 1qur h GLU 127 Ca 0.46 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1qur h GLU 127 Cb 0.69 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1qur h GLU 127 CO -0.39 1.12 0.00 2.41 -1.18 0.00 0.00 179.01 180.97 1qur n THR 128 N -3.82 0.09 0.00 0.32 -1.04 -1.04 -1.22 114.28 107.56 1qur n THR 128 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1qur n THR 128 Cb 0.79 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1qur n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qur n ALA 129 N 0.75 0.00 -0.06 2.41 0.00 -0.81 -1.68 120.51 121.12 1qur n ALA 129 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1qur n ALA 129 Cb 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 1qur n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1qur h SER 129 N 0.00 0.95 0.68 0.00 0.02 -1.46 -3.37 113.55 110.38 1qur h SER 129 Ca 0.00 -0.56 -0.17 0.00 -0.84 0.00 0.00 61.79 60.22 1qur h SER 129 Cb 0.00 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 1qur h SER 129 CO 0.00 1.34 -1.43 0.18 -1.14 0.00 0.00 176.83 175.78 1qur n LEU 129 N -4.01 0.84 -4.30 5.07 4.32 -0.67 -4.64 117.00 113.61 1qur n LEU 129 Ca -0.05 0.37 -0.43 0.00 -0.02 0.00 0.00 56.01 55.88 1qur n LEU 129 Cb 0.65 0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.53 1qur n LEU 129 CO 0.51 0.15 1.95 0.18 -1.22 0.00 0.00 177.39 178.96 1qur n LEU 130 N -2.88 5.60 -4.05 2.23 4.77 -1.26 -4.82 117.00 116.59 1qur n LEU 130 Ca -0.10 -4.21 -0.15 0.00 -0.03 0.00 0.00 56.01 51.52 1qur n LEU 130 Cb 0.84 -1.66 -0.13 0.00 -2.33 0.00 0.00 43.42 40.15 1qur n LEU 130 CO 0.43 0.65 -0.41 -1.10 -1.33 0.00 0.00 177.39 175.63 1qur s GLN 131 N 2.79 0.58 0.26 3.23 -0.21 -1.26 -4.96 119.66 120.09 1qur s GLN 131 Ca 0.48 -0.62 -0.31 0.00 0.02 0.00 0.00 55.36 54.93 1qur s GLN 131 Cb 0.05 -0.45 -0.13 0.00 1.00 0.00 0.00 33.01 33.47 1qur s GLN 131 CO 0.02 0.10 1.38 0.00 -2.12 0.00 0.00 175.29 174.67 1qur n ALA 132 N 1.91 1.12 0.00 6.09 0.00 -1.26 -1.75 120.51 126.63 1qur n ALA 132 Ca -0.19 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1qur n ALA 132 Cb 0.56 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1qur n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qur n GLY 133 N 1.87 3.00 3.74 0.00 0.00 -0.23 -4.95 105.19 108.63 1qur n GLY 133 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1qur n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qur s TYR 134 N -2.55 3.46 0.11 1.61 1.51 -0.71 -4.64 117.35 116.14 1qur s TYR 134 Ca 0.00 1.48 -0.11 0.00 -1.01 0.00 0.00 57.07 57.42 1qur s TYR 134 Cb 0.00 -3.39 -0.06 0.00 -0.11 0.00 0.00 41.96 38.40 1qur s TYR 134 CO 0.00 -1.05 0.45 0.15 -1.11 0.00 0.00 175.55 173.99 1qur s LYS 135 N -0.35 3.83 0.49 -0.62 1.02 -1.26 -1.13 119.74 121.72 1qur s LYS 135 Ca 0.52 0.28 0.02 0.00 0.02 0.00 0.00 55.97 56.80 1qur s LYS 135 Cb -0.32 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1qur s LYS 135 CO 0.37 0.52 0.06 0.41 -0.92 0.00 0.00 175.35 175.79 1qur n GLY 136 N 0.83 3.40 3.07 -3.33 0.00 0.02 -4.86 105.19 104.33 1qur n GLY 136 Ca -0.07 -2.28 -0.24 0.00 0.00 0.00 0.00 46.02 43.43 1qur n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qur s ARG 137 N -3.80 1.48 -0.03 1.61 3.52 0.68 -0.91 118.95 121.50 1qur s ARG 137 Ca 0.09 -0.47 0.07 0.00 -0.13 0.00 0.00 55.73 55.29 1qur s ARG 137 Cb 0.00 -1.30 -0.02 0.00 -1.56 0.00 0.00 34.95 32.08 1qur s ARG 137 CO 0.06 0.16 -0.25 0.08 -0.81 0.00 0.00 175.30 174.55 1qur s VAL 138 N 0.19 1.98 0.09 7.11 1.01 -0.08 -0.81 120.40 129.89 1qur s VAL 138 Ca -0.05 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.92 1qur s VAL 138 Cb -0.11 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1qur s VAL 138 CO 0.02 0.56 -0.12 0.42 0.00 0.00 0.00 175.10 175.97 1qur s THR 139 N -0.43 1.04 0.00 3.92 -4.23 -1.25 -1.50 115.64 113.19 1qur s THR 139 Ca 0.05 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1qur s THR 139 Cb -0.11 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.51 1qur s THR 139 CO 0.01 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1qur n GLY 140 N 0.90 1.07 1.59 3.99 0.00 -0.99 -4.60 105.19 107.15 1qur n GLY 140 Ca -0.18 -0.87 0.09 0.00 0.00 0.00 0.00 46.02 45.05 1qur n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qur n TRP 141 N -0.35 1.57 -0.92 1.61 8.01 -1.26 -2.24 117.44 123.86 1qur n TRP 141 Ca 0.00 -0.65 -0.29 0.00 -1.31 0.00 0.00 57.50 55.24 1qur n TRP 141 Cb 0.00 -0.31 0.23 0.00 -2.01 0.00 0.00 31.31 29.22 1qur n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1qur s GLY 142 N -0.96 1.54 0.46 6.99 0.00 -1.26 -4.52 107.32 109.58 1qur s GLY 142 Ca 0.51 -0.63 -0.23 0.00 0.00 0.00 0.00 44.72 44.37 1qur s GLY 142 CO 0.21 0.17 0.99 0.70 0.00 0.00 0.00 173.10 175.17 1qur n ASN 143 N -4.75 1.13 0.14 1.64 3.02 -0.01 -2.90 115.26 113.51 1qur n ASN 143 Ca 0.09 0.98 0.07 0.00 -0.03 0.00 0.00 54.58 55.69 1qur n ASN 143 Cb 0.58 -1.36 0.04 0.00 -0.61 0.00 0.00 39.78 38.44 1qur n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1qur h LEU 144 N 1.32 0.00 -8.23 3.41 -0.00 0.35 -1.02 115.31 111.14 1qur h LEU 144 Ca -0.45 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.27 1qur h LEU 144 Cb 1.34 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.84 1qur h LEU 144 CO 0.55 0.24 -0.69 -0.54 -0.00 0.00 0.00 178.44 178.00 1qur s LYS 145 N -3.13 0.60 0.12 1.13 1.02 -1.26 -4.25 119.74 113.97 1qur s LYS 145 Ca 0.02 -1.12 -0.17 0.00 0.02 0.00 0.00 55.97 54.73 1qur s LYS 145 Cb 0.07 0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.44 1qur s LYS 145 CO 0.75 -0.07 1.62 1.49 -0.92 0.00 0.00 175.35 178.21 1qur h GLU 146 N 3.43 0.55 -3.05 1.68 4.81 -1.91 -3.45 114.58 116.65 1qur h GLU 146 Ca -0.34 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 58.63 1qur h GLU 146 Cb 1.16 -0.07 -0.22 0.00 0.63 0.00 0.00 28.75 30.25 1qur h GLU 146 CO 0.60 0.60 -0.32 0.95 -0.73 0.00 0.00 179.01 180.11 1qur s THR 147 N -5.31 0.04 -0.13 0.32 -4.23 -1.26 -5.00 115.64 100.07 1qur s THR 147 Ca -0.13 -0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 59.91 1qur s THR 147 Cb 0.09 -0.53 0.04 0.00 1.34 0.00 0.00 72.50 73.44 1qur s THR 147 CO 0.75 -0.16 0.45 -1.66 -0.54 0.00 0.00 174.62 173.46 1qur s TRP 148 N -0.71 -0.46 0.37 3.99 -2.14 -1.26 -5.12 118.94 113.61 1qur s TRP 148 Ca -0.08 1.04 -0.26 0.00 2.66 0.00 0.00 56.10 59.46 1qur s TRP 148 Cb -0.04 0.18 -0.12 0.00 -3.10 0.00 0.00 33.47 30.39 1qur s TRP 148 CO 0.02 -0.31 1.12 2.41 -2.66 0.00 0.00 176.95 177.54 1qur n THR 149 N 2.35 2.24 -1.39 0.66 -1.04 -1.26 -4.97 114.28 110.87 1qur n THR 149 Ca -0.15 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.06 1qur n THR 149 Cb 0.57 -1.28 0.12 0.00 -1.82 0.00 0.00 70.33 67.91 1qur n THR 149 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qur s ALA 149 N -1.17 1.83 0.00 2.41 0.00 -1.26 -3.42 121.76 120.15 1qur s ALA 149 Ca 0.60 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1qur s ALA 149 Cb -0.58 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1qur s ALA 149 CO 0.59 -2.12 0.00 0.09 0.00 0.00 0.00 175.76 174.32 1qur n ASN 149 N -3.70 0.00 -3.97 0.00 3.02 -1.26 -4.74 115.26 104.61 1qur n ASN 149 Ca 0.07 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.19 1qur n ASN 149 Cb 0.56 -0.78 0.01 0.00 -0.61 0.00 0.00 39.78 38.97 1qur n ASN 149 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1qur n VAL 149 N -1.20 5.35 -1.89 2.41 0.31 -1.22 -4.99 118.33 117.10 1qur n VAL 149 Ca 0.00 -5.94 0.00 0.00 -0.01 0.00 0.00 64.34 58.39 1qur n VAL 149 Cb 0.00 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 30.88 1qur n VAL 149 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qur n GLY 149 N 1.23 -1.73 3.05 2.92 0.00 -1.26 -4.76 105.19 104.64 1qur n GLY 149 Ca 0.27 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 1qur n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qur s LYS 149 N 0.00 0.20 -0.03 1.61 1.02 -1.26 -4.96 119.74 116.32 1qur s LYS 149 Ca 0.00 0.59 0.01 0.00 0.02 0.00 0.00 55.97 56.59 1qur s LYS 149 Cb 0.00 -0.10 0.09 0.00 -0.52 0.00 0.00 37.83 37.30 1qur s LYS 149 CO 0.00 -0.19 0.71 0.41 -0.92 0.00 0.00 175.35 175.36 1qur n GLY 150 N 4.48 1.76 3.43 -3.33 0.00 -1.26 -4.75 105.19 105.52 1qur n GLY 150 Ca -0.21 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1qur n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qur s GLN 151 N -1.06 2.67 0.57 1.61 0.00 -1.26 0.90 119.66 123.08 1qur s GLN 151 Ca 0.06 -0.72 -0.11 0.00 -0.00 0.00 0.00 55.36 54.58 1qur s GLN 151 Cb 0.05 -2.39 -0.05 0.00 0.00 0.00 0.00 33.01 30.62 1qur s GLN 151 CO 0.02 0.51 0.97 -1.25 0.00 0.00 0.00 175.29 175.55 1qur s PRO 152 N -0.45 3.68 0.01 9.60 0.04 -1.26 -4.95 135.00 141.67 1qur s PRO 152 Ca 0.05 0.71 0.23 0.00 0.04 0.00 0.00 61.00 62.03 1qur s PRO 152 Cb -0.12 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.33 1qur s PRO 152 CO 0.02 -0.43 1.07 -1.13 0.04 0.00 0.00 177.00 176.57 1qur n SER 153 N -2.35 0.72 -4.04 6.66 3.41 -1.26 -4.73 113.62 112.03 1qur n SER 153 Ca 0.05 -0.55 -0.09 0.00 -0.26 0.00 0.00 58.87 58.03 1qur n SER 153 Cb 0.54 0.76 -0.11 0.00 -0.26 0.00 0.00 64.21 65.14 1qur n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qur s VAL 154 N -3.07 0.23 0.25 -3.33 1.01 -1.26 -2.22 120.40 112.02 1qur s VAL 154 Ca 0.07 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 1qur s VAL 154 Cb 0.16 -0.83 -0.14 0.00 0.00 0.00 0.00 36.38 35.56 1qur s VAL 154 CO 0.80 -0.69 1.11 -0.11 0.00 0.00 0.00 175.10 176.22 1qur n LEU 155 N 0.95 1.95 -4.74 3.92 7.94 -0.36 -4.84 117.00 121.83 1qur n LEU 155 Ca -0.20 1.17 -0.23 0.00 -1.11 0.00 0.00 56.01 55.64 1qur n LEU 155 Cb 0.57 -1.29 -0.06 0.00 0.53 0.00 0.00 43.42 43.17 1qur n LEU 155 CO 0.24 -1.23 -0.25 -1.10 -1.11 0.00 0.00 177.39 173.94 1qur s GLN 156 N -1.10 2.63 0.00 1.96 -1.52 -0.95 -1.36 119.66 119.32 1qur s GLN 156 Ca 0.64 -1.17 -0.04 0.00 -1.95 0.00 0.00 55.36 52.84 1qur s GLN 156 Cb -0.73 -2.40 -0.00 0.00 -0.22 0.00 0.00 33.01 29.65 1qur s GLN 156 CO 0.57 0.40 0.07 0.54 -0.25 0.00 0.00 175.29 176.62 1qur s VAL 157 N -2.11 0.07 -0.17 1.09 0.11 -0.05 -2.34 120.40 117.01 1qur s VAL 157 Ca 0.31 -0.60 -0.16 0.00 -2.93 0.00 0.00 61.98 58.60 1qur s VAL 157 Cb -0.08 -0.30 0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1qur s VAL 157 CO 0.22 -0.33 0.46 0.54 -3.33 0.00 0.00 175.10 172.66 1qur s VAL 158 N -1.07 0.00 -0.16 2.04 0.11 -0.56 -1.34 120.40 119.42 1qur s VAL 158 Ca -0.12 -0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 58.86 1qur s VAL 158 Cb -0.07 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1qur s VAL 158 CO 0.00 -0.01 0.03 0.20 -3.33 0.00 0.00 175.10 172.00 1qur s ASN 159 N 0.19 5.42 0.03 3.54 0.01 -1.26 -0.91 114.94 121.97 1qur s ASN 159 Ca -0.00 0.06 0.03 0.00 -0.71 0.00 0.00 52.86 52.23 1qur s ASN 159 Cb -0.03 -1.86 -0.02 0.00 0.41 0.00 0.00 41.25 39.74 1qur s ASN 159 CO 0.01 0.21 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.96 1qur s LEU 160 N 0.14 2.19 0.28 0.60 1.43 -0.09 -4.93 118.68 118.29 1qur s LEU 160 Ca 0.03 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.52 1qur s LEU 160 Cb -0.13 -0.29 -0.09 0.00 0.03 0.00 0.00 46.19 45.71 1qur s LEU 160 CO 0.01 -0.09 0.74 -2.16 0.23 0.00 0.00 176.35 175.09 1qur s PRO 161 N -1.18 4.15 0.33 1.29 0.04 -1.26 -0.80 135.00 137.57 1qur s PRO 161 Ca -0.05 0.80 -0.28 0.00 0.04 0.00 0.00 61.00 61.52 1qur s PRO 161 Cb -0.08 -2.65 -0.09 0.00 0.04 0.00 0.00 34.50 31.72 1qur s PRO 161 CO 0.01 0.27 1.15 0.42 0.04 0.00 0.00 177.00 178.88 1qur s ILE 162 N -1.76 3.29 -0.00 0.56 1.01 -0.29 -1.10 121.20 122.91 1qur s ILE 162 Ca 0.49 1.21 0.01 0.00 0.00 0.00 0.00 60.65 62.36 1qur s ILE 162 Cb -0.14 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1qur s ILE 162 CO 0.19 0.23 0.01 -0.69 0.00 0.00 0.00 174.94 174.68 1qur s VAL 163 N -1.27 4.24 0.28 2.92 1.01 -0.70 -1.06 120.40 125.82 1qur s VAL 163 Ca 0.50 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1qur s VAL 163 Cb -0.32 -2.90 -0.13 0.00 0.00 0.00 0.00 36.38 33.03 1qur s VAL 163 CO 0.41 0.37 1.23 -0.62 0.00 0.00 0.00 175.10 176.50 1qur n GLU 164 N 1.37 1.79 -0.27 2.72 4.71 -1.26 -4.61 120.64 125.09 1qur n GLU 164 Ca -0.14 0.63 0.02 0.00 -0.01 0.00 0.00 57.16 57.66 1qur n GLU 164 Cb 0.53 -2.17 0.15 0.00 -1.01 0.00 0.00 31.44 28.94 1qur n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1qur h ARG 165 N 2.93 0.67 -0.02 3.49 3.08 -1.98 -2.14 114.38 120.41 1qur h ARG 165 Ca -0.44 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.53 1qur h ARG 165 Cb 1.30 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1qur h ARG 165 CO 0.66 0.45 -0.18 -1.00 -1.07 0.00 0.00 179.97 178.83 1qur h PRO 166 N 0.69 0.03 -0.25 0.04 0.13 -1.99 -1.17 132.00 129.49 1qur h PRO 166 Ca 0.37 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 65.34 1qur h PRO 166 Cb 0.36 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 1qur h PRO 166 CO -0.25 0.22 -0.46 0.28 -0.23 0.00 0.00 178.00 177.56 1qur h VAL 167 N 0.03 1.30 -0.04 1.56 2.07 -1.76 -1.31 116.25 118.11 1qur h VAL 167 Ca 0.01 -1.66 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 1qur h VAL 167 Cb 0.35 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1qur h VAL 167 CO 0.02 0.53 0.02 0.00 0.02 0.00 0.00 177.57 178.16 1qur h LYS 169 N -0.10 1.27 0.00 0.00 3.64 -1.20 -2.46 116.57 117.73 1qur h LYS 169 Ca 0.01 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1qur h LYS 169 Cb 0.16 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1qur h LYS 169 CO -0.00 0.91 0.00 -0.25 -2.27 0.00 0.00 179.45 177.84 1qur n ASP 170 N -4.34 0.00 -0.13 4.20 10.43 -0.50 -3.19 116.55 123.03 1qur n ASP 170 Ca 0.10 -1.24 0.09 0.00 2.57 0.00 0.00 54.79 56.31 1qur n ASP 170 Cb 0.08 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 42.96 1qur n ASP 170 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1qur n SER 171 N -0.85 1.19 -4.03 -2.24 3.41 -0.93 -5.00 113.62 105.18 1qur n SER 171 Ca 0.16 -1.10 -0.08 0.00 -0.26 0.00 0.00 58.87 57.60 1qur n SER 171 Cb 0.07 0.86 -0.09 0.00 -0.26 0.00 0.00 64.21 64.79 1qur n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1qur s THR 172 N -2.69 0.18 -0.60 6.66 -1.32 -1.19 -4.87 115.64 111.80 1qur s THR 172 Ca 0.10 -1.64 0.24 0.00 -1.21 0.00 0.00 61.69 59.18 1qur s THR 172 Cb 0.15 -1.56 0.01 0.00 -1.51 0.00 0.00 72.50 69.59 1qur s THR 172 CO 0.72 -0.80 1.23 0.03 -2.21 0.00 0.00 174.62 173.60 1qur h ARG 173 N 2.97 0.00 -6.88 7.08 3.08 -1.94 -3.47 114.38 115.21 1qur h ARG 173 Ca -0.34 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.21 1qur h ARG 173 Cb 1.17 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.25 1qur h ARG 173 CO 0.62 0.00 0.49 0.42 -1.07 0.00 0.00 179.97 180.43 1qur s ILE 174 N -3.19 3.33 -0.31 2.04 1.01 -1.26 -4.98 121.20 117.84 1qur s ILE 174 Ca 0.05 1.21 -0.29 0.00 0.00 0.00 0.00 60.65 61.62 1qur s ILE 174 Cb 0.13 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.89 1qur s ILE 174 CO 0.74 0.19 1.24 -0.60 0.00 0.00 0.00 174.94 176.51 1qur s ARG 175 N -1.93 3.95 0.24 2.79 3.52 -1.26 -5.02 118.95 121.24 1qur s ARG 175 Ca 0.51 1.17 -0.20 0.00 -0.13 0.00 0.00 55.73 57.08 1qur s ARG 175 Cb -0.31 -3.84 -0.09 0.00 -1.56 0.00 0.00 34.95 29.15 1qur s ARG 175 CO 0.39 -1.07 0.76 0.42 -0.81 0.00 0.00 175.30 174.99 1qur s ILE 176 N 4.19 4.52 0.48 4.11 -1.09 -1.26 -4.87 121.20 127.28 1qur s ILE 176 Ca 0.53 1.35 0.04 0.00 -2.23 0.00 0.00 60.65 60.33 1qur s ILE 176 Cb -0.15 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 1qur s ILE 176 CO 0.21 0.18 0.05 0.42 -1.23 0.00 0.00 174.94 174.57 1qur s THR 177 N -1.56 1.52 -0.75 2.92 -4.23 -1.26 -5.01 115.64 107.27 1qur s THR 177 Ca 0.45 -1.94 0.19 0.00 -1.18 0.00 0.00 61.69 59.21 1qur s THR 177 Cb -0.17 -2.45 0.18 0.00 1.34 0.00 0.00 72.50 71.41 1qur s THR 177 CO 0.21 0.00 1.59 0.47 -0.54 0.00 0.00 174.62 176.35 1qur n ASP 178 N -1.22 0.33 -0.74 3.99 8.00 -1.26 -2.80 116.55 122.85 1qur n ASP 178 Ca -0.13 0.58 0.04 0.00 0.71 0.00 0.00 54.79 56.00 1qur n ASP 178 Cb 0.67 -0.65 0.15 0.00 -0.02 0.00 0.00 41.12 41.27 1qur n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qur n ASN 179 N -1.86 2.09 -3.96 -2.24 3.02 -1.26 -4.85 115.26 106.20 1qur n ASN 179 Ca 0.03 -2.12 -0.09 0.00 -0.03 0.00 0.00 54.58 52.37 1qur n ASN 179 Cb 0.20 -0.32 -0.09 0.00 -0.61 0.00 0.00 39.78 38.96 1qur n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qur s MET 180 N -1.63 0.64 0.06 3.52 0.23 -1.12 -0.59 119.30 120.41 1qur s MET 180 Ca 0.22 -0.92 -0.02 0.00 -1.03 0.00 0.00 55.69 53.93 1qur s MET 180 Cb 0.13 0.25 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 1qur s MET 180 CO 0.12 -0.16 0.01 -0.59 -2.03 0.00 0.00 175.02 172.36 1qur s PHE 181 N -3.21 0.45 0.30 3.16 -0.12 -0.71 -4.81 117.98 113.04 1qur s PHE 181 Ca 0.00 -0.98 0.11 0.00 -0.05 0.00 0.00 56.93 56.01 1qur s PHE 181 Cb 0.02 -0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.03 1qur s PHE 181 CO -0.07 -0.41 -0.13 0.00 -0.05 0.00 0.00 175.22 174.56 1qur s ALA 183 N -2.52 -0.74 0.00 0.00 0.00 -0.13 -1.72 121.76 116.66 1qur s ALA 183 Ca 0.31 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1qur s ALA 183 Cb -0.03 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1qur s ALA 183 CO 0.16 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1qur n GLY 184 N 0.73 3.36 3.85 0.00 0.00 -0.26 -2.07 105.19 110.81 1qur n GLY 184 Ca -0.19 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 1qur n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qur s TYR 184 N -2.00 3.43 0.46 1.61 1.51 -1.26 -4.50 117.35 116.60 1qur s TYR 184 Ca 0.00 1.29 -0.09 0.00 -1.01 0.00 0.00 57.07 57.26 1qur s TYR 184 Cb 0.00 -2.63 -0.05 0.00 -0.11 0.00 0.00 41.96 39.16 1qur s TYR 184 CO 0.00 -0.17 0.82 0.15 -1.11 0.00 0.00 175.55 175.24 1qur s LYS 185 N -3.71 3.69 0.40 -0.62 1.02 -1.26 -4.84 119.74 114.42 1qur s LYS 185 Ca 0.56 0.45 0.22 0.00 0.02 0.00 0.00 55.97 57.21 1qur s LYS 185 Cb -0.10 -2.33 1.20 0.00 -0.52 0.00 0.00 37.83 36.08 1qur s LYS 185 CO 0.27 -0.17 1.70 -1.35 -0.92 0.00 0.00 175.35 174.88 1qur h PRO 186 N 0.70 0.28 -0.63 -1.68 0.11 -1.95 -1.52 132.00 127.31 1qur h PRO 186 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qur h PRO 186 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1qur h PRO 186 CO 0.63 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 1qur n ASP 186 N -4.72 3.55 -0.35 -2.05 5.75 -1.26 -4.20 116.55 113.27 1qur n ASP 186 Ca 0.30 -2.10 0.14 0.00 -0.01 0.00 0.00 54.79 53.12 1qur n ASP 186 Cb 1.07 -0.45 0.55 0.00 -1.03 0.00 0.00 41.12 41.27 1qur n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1qur n GLU 186 N 1.23 1.36 0.00 0.11 1.02 -0.57 -4.97 120.64 118.81 1qur n GLU 186 Ca 0.21 -0.71 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 1qur n GLU 186 Cb 0.59 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1qur n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qur n GLY 186 N 1.20 2.01 3.78 0.62 0.00 -1.26 -4.96 105.19 106.57 1qur n GLY 186 Ca 0.18 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1qur n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qur s LYS 186 N 0.00 2.12 0.00 1.61 1.02 -1.26 -5.07 119.74 118.15 1qur s LYS 186 Ca 0.00 0.86 0.00 0.00 0.02 0.00 0.00 55.97 56.85 1qur s LYS 186 Cb 0.00 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1qur s LYS 186 CO 0.00 -1.65 0.00 2.89 -0.92 0.00 0.00 175.35 175.67 1qur n ARG 187 N -3.49 0.00 0.00 1.68 1.85 -1.26 -4.73 116.66 110.71 1qur n ARG 187 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1qur n ARG 187 Cb 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 1qur n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1qur n GLY 188 N 0.00 3.99 3.66 2.89 0.00 -1.26 -4.93 105.19 109.55 1qur n GLY 188 Ca 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 1qur n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qur s ASP 189 N 0.00 -0.18 0.66 1.61 3.68 -0.91 -4.67 116.67 116.86 1qur s ASP 189 Ca 0.00 -0.23 -0.04 0.00 2.13 0.00 0.00 52.55 54.41 1qur s ASP 189 Cb 0.00 0.36 0.06 0.00 -1.45 0.00 0.00 42.92 41.88 1qur s ASP 189 CO 0.00 -0.64 0.94 0.00 0.13 0.00 0.00 175.17 175.60 1qur s ALA 190 N -2.96 3.41 0.12 3.66 0.00 -1.26 -0.25 121.76 124.48 1qur s ALA 190 Ca 0.11 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1qur s ALA 190 Cb 0.00 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.72 1qur s ALA 190 CO -0.02 -1.14 0.18 0.00 0.00 0.00 0.00 175.76 174.78 1qur n GLU 192 N -0.19 1.67 0.00 0.00 4.07 -1.26 -0.93 120.64 123.99 1qur n GLU 192 Ca -0.00 0.59 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 1qur n GLU 192 Cb 0.20 -2.17 0.00 0.00 -0.06 0.00 0.00 31.44 29.41 1qur n GLU 192 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1qur n GLY 193 N 2.02 3.25 0.08 8.31 0.00 -1.26 -0.83 105.19 116.75 1qur n GLY 193 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1qur n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qur n ASP 194 N 0.05 0.76 -4.52 1.61 10.43 -0.10 -3.92 116.55 120.86 1qur n ASP 194 Ca 0.00 0.31 -0.45 0.00 2.57 0.00 0.00 54.79 57.22 1qur n ASP 194 Cb 0.00 -0.25 -0.02 0.00 1.84 0.00 0.00 41.12 42.70 1qur n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1qur n SER 195 N -2.18 0.29 0.00 -2.24 7.64 -1.26 -1.81 113.62 114.07 1qur n SER 195 Ca 0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1qur n SER 195 Cb 0.44 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1qur n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qur n GLY 196 N 1.52 2.53 3.74 0.23 0.00 -0.38 -0.49 105.19 112.34 1qur n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1qur n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qur s GLY 197 N -1.85 1.60 0.17 -0.02 0.00 -0.75 -3.56 107.32 102.92 1qur s GLY 197 Ca 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 44.72 44.27 1qur s GLY 197 CO 0.00 0.28 0.72 2.56 0.00 0.00 0.00 173.10 176.66 1qur s PRO 198 N -5.05 4.38 -0.29 2.90 0.04 -1.26 -0.98 135.00 134.73 1qur s PRO 198 Ca 0.63 0.97 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 1qur s PRO 198 Cb -0.17 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.29 1qur s PRO 198 CO 0.56 0.51 0.05 0.12 0.04 0.00 0.00 177.00 178.28 1qur s PHE 199 N -1.29 3.16 0.34 0.56 5.36 -0.44 -3.86 117.98 121.82 1qur s PHE 199 Ca 0.37 -1.24 0.09 0.00 -0.96 0.00 0.00 56.93 55.20 1qur s PHE 199 Cb -0.20 -2.21 -0.06 0.00 -0.34 0.00 0.00 43.02 40.21 1qur s PHE 199 CO 0.23 -0.65 -0.07 0.14 -1.46 0.00 0.00 175.22 173.40 1qur s VAL 200 N 1.43 2.33 0.01 3.12 -7.23 0.01 -1.07 120.40 119.00 1qur s VAL 200 Ca 0.01 -2.16 -0.04 0.00 -1.81 0.00 0.00 61.98 57.98 1qur s VAL 200 Cb -0.18 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1qur s VAL 200 CO 0.01 -0.21 0.07 -0.04 -0.31 0.00 0.00 175.10 174.62 1qur s MET 201 N -3.63 0.40 -0.23 4.82 -1.94 -0.26 -0.23 119.30 118.23 1qur s MET 201 Ca 0.33 -0.47 -0.10 0.00 -1.71 0.00 0.00 55.69 53.74 1qur s MET 201 Cb 0.02 0.16 -0.05 0.00 2.01 0.00 0.00 34.83 36.97 1qur s MET 201 CO 0.17 -0.09 0.15 0.21 -0.01 0.00 0.00 175.02 175.45 1qur s LYS 202 N -1.37 4.06 0.07 2.03 2.20 -1.26 -0.75 119.74 124.72 1qur s LYS 202 Ca -0.15 -0.28 -0.31 0.00 -0.36 0.00 0.00 55.97 54.88 1qur s LYS 202 Cb -0.08 -3.50 -0.07 0.00 -1.51 0.00 0.00 37.83 32.68 1qur s LYS 202 CO 0.00 0.09 1.30 0.45 -0.36 0.00 0.00 175.35 176.84 1qur s SER 203 N 0.95 6.94 0.00 1.43 0.15 0.12 -4.89 113.70 118.40 1qur s SER 203 Ca 0.07 2.15 0.29 0.00 0.70 0.00 0.00 55.95 59.16 1qur s SER 203 Cb -0.13 -2.58 1.27 0.00 -1.71 0.00 0.00 66.02 62.87 1qur s SER 203 CO 0.03 -0.58 1.92 -0.81 1.20 0.00 0.00 173.24 175.01 1qur n PRO 204 N 4.14 0.19 0.04 5.44 -0.04 -1.26 -1.26 135.00 142.25 1qur n PRO 204 Ca 0.11 -0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 1qur n PRO 204 Cb 0.44 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 1qur n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1qur h PHE 204 N 0.05 0.51 0.00 0.54 0.04 -1.97 -3.40 116.94 112.71 1qur h PHE 204 Ca 0.00 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1qur h PHE 204 Cb 0.42 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1qur h PHE 204 CO 0.00 1.35 -0.04 0.27 -0.60 0.00 0.00 178.31 179.29 1qur n ASN 204 N -4.11 1.38 -1.52 2.17 2.04 -1.24 -5.01 115.26 108.96 1qur n ASN 204 Ca -0.16 -1.88 -0.19 0.00 -0.44 0.00 0.00 54.58 51.90 1qur n ASN 204 Cb 0.83 -0.07 -0.08 0.00 -2.53 0.00 0.00 39.78 37.92 1qur n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1qur n ASN 205 N -0.46 -5.39 -4.93 0.53 4.13 -0.39 -4.99 115.26 103.76 1qur n ASN 205 Ca 0.02 0.48 -0.29 0.00 1.68 0.00 0.00 54.58 56.47 1qur n ASN 205 Cb 0.40 -4.70 -0.04 0.00 -1.54 0.00 0.00 39.78 33.91 1qur n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1qur s ARG 206 N -3.65 3.47 -0.05 3.52 0.52 -1.25 -4.79 118.95 116.70 1qur s ARG 206 Ca 0.00 -0.45 -0.18 0.00 -0.52 0.00 0.00 55.73 54.58 1qur s ARG 206 Cb 0.00 -2.98 -0.05 0.00 0.52 0.00 0.00 34.95 32.45 1qur s ARG 206 CO 0.00 0.54 0.50 -1.58 0.02 0.00 0.00 175.30 174.79 1qur s TRP 207 N -1.64 3.62 -0.03 -0.53 0.52 -1.26 -0.70 118.94 118.91 1qur s TRP 207 Ca 0.36 1.02 0.07 0.00 0.02 0.00 0.00 56.10 57.56 1qur s TRP 207 Cb -0.12 -2.52 -0.02 0.00 -1.15 0.00 0.00 33.47 29.67 1qur s TRP 207 CO 0.28 0.33 -0.23 0.71 0.02 0.00 0.00 176.95 178.06 1qur s TYR 208 N -0.00 2.11 -0.40 -1.98 2.02 0.07 -2.30 117.35 116.87 1qur s TYR 208 Ca 0.27 -0.46 -0.23 0.00 -0.37 0.00 0.00 57.07 56.28 1qur s TYR 208 Cb -0.16 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 40.04 1qur s TYR 208 CO 0.13 -0.08 0.78 -1.14 -1.57 0.00 0.00 175.55 173.67 1qur s GLN 209 N -0.41 3.61 -0.01 -0.62 0.74 -0.41 -1.11 119.66 121.44 1qur s GLN 209 Ca 0.05 0.13 0.20 0.00 0.05 0.00 0.00 55.36 55.80 1qur s GLN 209 Cb -0.10 -3.86 -0.23 0.00 1.10 0.00 0.00 33.01 29.92 1qur s GLN 209 CO 0.00 -0.96 0.55 -1.33 -0.55 0.00 0.00 175.29 173.00 1qur n MET 210 N 6.54 0.65 -4.07 1.67 2.81 -0.23 -4.36 117.12 120.13 1qur n MET 210 Ca 0.03 -0.03 -0.11 0.00 -1.81 0.00 0.00 57.70 55.78 1qur n MET 210 Cb 0.48 -1.62 -0.06 0.00 -0.71 0.00 0.00 33.22 31.31 1qur n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1qur s GLY 211 N -4.76 1.02 -0.05 3.03 0.00 -0.96 -1.96 107.32 103.64 1qur s GLY 211 Ca -0.06 -1.25 0.03 0.00 0.00 0.00 0.00 44.72 43.44 1qur s GLY 211 CO 0.86 -0.90 -0.13 -0.42 0.00 0.00 0.00 173.10 172.50 1qur s ILE 212 N -3.74 1.19 -0.04 0.90 1.01 -1.05 -1.33 121.20 118.16 1qur s ILE 212 Ca 0.28 -0.54 -0.31 0.00 0.00 0.00 0.00 60.65 60.08 1qur s ILE 212 Cb 0.01 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 41.32 1qur s ILE 212 CO 0.13 0.36 1.98 0.52 0.00 0.00 0.00 174.94 177.93 1qur n VAL 213 N 3.54 0.66 0.00 2.92 0.31 -0.15 -1.40 118.33 124.21 1qur n VAL 213 Ca -0.21 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1qur n VAL 213 Cb 0.52 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 1qur n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1qur n SER 214 N 7.73 0.00 -3.94 4.52 2.88 -0.67 -1.25 113.62 122.88 1qur n SER 214 Ca 0.22 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.67 1qur n SER 214 Cb 0.37 -0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 63.56 1qur n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1qur s TRP 215 N -0.81 0.30 -0.07 0.66 1.48 -1.08 -4.88 118.94 114.54 1qur s TRP 215 Ca 0.00 -0.66 -0.30 0.00 -1.06 0.00 0.00 56.10 54.08 1qur s TRP 215 Cb 0.00 0.14 0.11 0.00 -1.16 0.00 0.00 33.47 32.56 1qur s TRP 215 CO 0.00 -0.89 0.93 0.20 -4.06 0.00 0.00 176.95 173.12 1qur s GLY 216 N -2.98 -0.39 -0.63 3.67 0.00 -1.26 -0.13 107.32 105.60 1qur s GLY 216 Ca 0.19 1.43 -0.19 0.00 0.00 0.00 0.00 44.72 46.15 1qur s GLY 216 CO 0.04 0.63 0.74 -0.54 0.00 0.00 0.00 173.10 173.98 1qur s GLU 217 N -2.24 3.11 2.02 2.90 2.02 -1.26 -4.88 118.70 120.36 1qur s GLU 217 Ca 0.02 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 53.62 1qur s GLU 217 Cb -0.01 -4.31 0.00 0.00 0.10 0.00 0.00 34.13 29.91 1qur s GLU 217 CO -0.04 -1.55 0.00 0.41 0.02 0.00 0.00 175.26 174.10 1qur n GLY 219 N 5.23 -1.46 2.75 -1.39 0.00 -1.26 -4.70 105.19 104.36 1qur n GLY 219 Ca -0.06 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 1qur n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qur n ASP 221 N 4.55 -5.11 -4.82 0.00 2.03 -1.26 -4.61 116.55 107.32 1qur n ASP 221 Ca -0.19 -0.52 -0.36 0.00 0.52 0.00 0.00 54.79 54.24 1qur n ASP 221 Cb 0.50 -4.11 -0.06 0.00 -0.72 0.00 0.00 41.12 36.73 1qur n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1qur s ARG 221 N -6.19 4.17 0.52 -0.67 0.52 -1.26 -4.93 118.95 111.10 1qur s ARG 221 Ca 0.50 0.74 -0.22 0.00 -0.52 0.00 0.00 55.73 56.23 1qur s ARG 221 Cb -0.24 -2.94 -0.06 0.00 0.52 0.00 0.00 34.95 32.23 1qur s ARG 221 CO 0.61 0.45 1.29 -0.51 0.02 0.00 0.00 175.30 177.16 1qur s ASP 222 N -1.61 5.59 0.00 0.23 -0.00 -1.26 -2.24 116.67 117.38 1qur s ASP 222 Ca 0.40 2.60 0.00 0.00 -0.00 0.00 0.00 52.55 55.55 1qur s ASP 222 Cb -0.17 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.13 1qur s ASP 222 CO 0.20 -1.34 0.00 0.61 -0.00 0.00 0.00 175.17 174.65 1qur n GLY 223 N 0.62 2.50 3.64 0.21 0.00 -1.26 -5.00 105.19 105.90 1qur n GLY 223 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1qur n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qur s LYS 224 N -0.00 2.33 0.10 1.61 -0.14 -0.95 -4.79 119.74 117.89 1qur s LYS 224 Ca 0.00 -1.16 0.03 0.00 -1.36 0.00 0.00 55.97 53.48 1qur s LYS 224 Cb 0.00 -2.31 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 1qur s LYS 224 CO 0.00 0.45 -0.09 0.71 -0.76 0.00 0.00 175.35 175.66 1qur s TYR 225 N -1.76 1.03 0.20 3.18 1.51 -1.26 -4.70 117.35 115.54 1qur s TYR 225 Ca 0.27 -0.73 -0.21 0.00 -1.01 0.00 0.00 57.07 55.39 1qur s TYR 225 Cb -0.09 -0.56 -0.08 0.00 -0.11 0.00 0.00 41.96 41.12 1qur s TYR 225 CO 0.18 -0.03 0.73 0.20 -1.11 0.00 0.00 175.55 175.52 1qur s GLY 226 N -2.68 2.70 0.01 0.71 0.00 -0.88 -4.46 107.32 102.72 1qur s GLY 226 Ca 0.08 0.21 0.02 0.00 0.00 0.00 0.00 44.72 45.03 1qur s GLY 226 CO -0.01 0.61 -0.00 -1.36 0.00 0.00 0.00 173.10 172.33 1qur s PHE 227 N -1.40 3.05 0.04 1.90 0.40 0.82 -0.95 117.98 121.84 1qur s PHE 227 Ca 0.40 0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.83 1qur s PHE 227 Cb -0.18 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 1qur s PHE 227 CO 0.22 0.46 -0.11 0.71 0.70 0.00 0.00 175.22 177.19 1qur s TYR 228 N -1.10 0.99 0.15 0.36 1.51 0.15 -1.67 117.35 117.73 1qur s TYR 228 Ca 0.20 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.57 1qur s TYR 228 Cb -0.11 -0.58 -0.07 0.00 -0.11 0.00 0.00 41.96 41.08 1qur s TYR 228 CO 0.11 0.00 1.21 0.99 -1.11 0.00 0.00 175.55 176.75 1qur s THR 229 N -1.01 3.67 -0.74 -0.71 2.01 -0.50 -1.74 115.64 116.62 1qur s THR 229 Ca -0.02 1.34 -0.26 0.00 0.31 0.00 0.00 61.69 63.06 1qur s THR 229 Cb -0.08 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.61 1qur s THR 229 CO 0.01 0.18 1.22 -2.28 -0.69 0.00 0.00 174.62 173.06 1qur s HIS 230 N 0.29 2.39 0.14 4.92 2.46 0.24 -2.52 115.29 123.21 1qur s HIS 230 Ca 0.55 -0.22 -0.18 0.00 0.47 0.00 0.00 55.06 55.69 1qur s HIS 230 Cb -0.32 -4.56 -0.01 0.00 -0.13 0.00 0.00 32.58 27.56 1qur s HIS 230 CO 0.34 -1.97 1.79 0.28 -2.47 0.00 0.00 174.74 172.71 1qur h VAL 231 N 6.06 1.05 -0.79 0.89 2.07 -1.72 -2.71 116.25 121.10 1qur h VAL 231 Ca -0.25 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1qur h VAL 231 Cb 1.05 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1qur h VAL 231 CO 1.27 0.07 0.52 0.15 0.02 0.00 0.00 177.57 179.59 1qur h PHE 232 N 0.39 0.86 0.00 1.57 3.57 -1.88 -1.20 116.94 120.26 1qur h PHE 232 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1qur h PHE 232 Cb -0.02 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.44 1qur h PHE 232 CO -0.07 0.45 0.00 0.00 -2.23 0.00 0.00 178.31 176.46 1qur h ARG 233 N 0.85 0.00 -0.37 1.11 3.08 -1.87 -2.51 114.38 114.67 1qur h ARG 233 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1qur h ARG 233 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1qur h ARG 233 CO -0.12 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.06 1qur n LEU 234 N -2.93 3.52 -0.02 3.04 7.99 -0.50 -4.69 117.00 123.43 1qur n LEU 234 Ca -0.00 -2.40 -0.02 0.00 -0.01 0.00 0.00 56.01 53.58 1qur n LEU 234 Cb 0.23 -0.39 0.24 0.00 -0.11 0.00 0.00 43.42 43.39 1qur n LEU 234 CO 0.24 0.73 0.86 0.50 -1.51 0.00 0.00 177.39 178.21 1qur h LYS 235 N 2.28 0.56 -0.82 3.23 3.64 -0.97 -2.36 116.57 122.13 1qur h LYS 235 Ca 0.00 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1qur h LYS 235 Cb 1.07 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 1qur h LYS 235 CO 0.11 0.64 0.43 0.87 -2.27 0.00 0.00 179.45 179.23 1qur h LYS 236 N 0.52 1.16 -0.19 1.90 1.57 -1.83 0.10 116.57 119.80 1qur h LYS 236 Ca 0.10 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1qur h LYS 236 Cb 0.46 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1qur h LYS 236 CO 0.02 0.87 0.04 2.35 -0.57 0.00 0.00 179.45 182.16 1qur h TRP 237 N 1.16 0.32 -0.12 -1.35 7.01 -1.82 -0.08 115.95 121.05 1qur h TRP 237 Ca 0.29 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.29 1qur h TRP 237 Cb 0.06 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 26.98 1qur h TRP 237 CO 0.01 0.44 -0.20 0.82 -2.79 0.00 0.00 178.44 176.72 1qur h ILE 238 N 0.11 0.50 -0.49 2.65 2.04 -0.88 -1.58 117.51 119.86 1qur h ILE 238 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1qur h ILE 238 Cb 0.28 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1qur h ILE 238 CO 0.00 0.00 0.21 -0.61 0.00 0.00 0.00 178.15 177.75 1qur h GLN 239 N -0.26 0.69 0.31 2.37 4.15 -0.74 -2.57 115.11 119.06 1qur h GLN 239 Ca 0.10 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1qur h GLN 239 Cb 0.40 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1qur h GLN 239 CO -0.27 0.56 -0.15 -0.22 -1.93 0.00 0.00 178.83 176.82 1qur h LYS 240 N 0.69 -0.40 0.00 1.69 3.64 -0.18 -2.13 116.57 119.88 1qur h LYS 240 Ca 0.17 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1qur h LYS 240 Cb 0.11 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1qur h LYS 240 CO -0.02 -0.21 0.00 -0.39 -2.27 0.00 0.00 179.45 176.56 1qur h VAL 241 N -0.48 0.00 0.12 2.00 -1.51 -1.16 -2.86 116.25 112.35 1qur h VAL 241 Ca -0.04 -0.41 -0.27 0.00 -1.23 0.00 0.00 66.70 64.75 1qur h VAL 241 Cb 0.36 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1qur h VAL 241 CO 0.07 0.00 -1.23 0.40 -1.23 0.00 0.00 177.57 175.58 1qur h ILE 242 N 0.00 1.51 -4.92 7.19 2.04 -1.25 -3.46 117.51 118.62 1qur h ILE 242 Ca 0.00 -3.09 -0.05 0.00 1.00 0.00 0.00 64.86 62.72 1qur h ILE 242 Cb 0.45 2.93 -0.03 0.00 -0.74 0.00 0.00 36.82 39.44 1qur h ILE 242 CO 0.00 0.90 -0.07 0.47 0.00 0.00 0.00 178.15 179.45 1qur n ASP 243 N -3.51 -1.00 0.04 1.72 9.92 -0.82 -4.66 116.55 118.24 1qur n ASP 243 Ca -0.08 0.34 0.01 0.00 -0.53 0.00 0.00 54.79 54.52 1qur n ASP 243 Cb 1.02 -0.98 0.03 0.00 -0.64 0.00 0.00 41.12 40.55 1qur n ASP 243 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qur n GLN 244 N -2.46 0.01 0.00 -1.24 10.64 -1.26 -5.15 117.38 117.92 1qur n GLN 244 Ca 0.01 0.21 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 1qur n GLN 244 Cb 0.46 -1.98 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 1qur n GLN 244 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42