#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkl n GLY 4 N 0.00 0.50 3.99 -1.84 0.00 -1.26 -5.07 105.19 101.51 1xkl n GLY 4 Ca 0.00 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 1xkl n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkl s LYS 5 N -0.33 2.15 -0.25 1.61 1.02 -1.26 -4.82 119.74 117.85 1xkl s LYS 5 Ca 0.00 -1.09 -0.01 0.00 0.02 0.00 0.00 55.97 54.89 1xkl s LYS 5 Cb 0.00 -2.46 0.03 0.00 -0.52 0.00 0.00 37.83 34.88 1xkl s LYS 5 CO 0.00 -1.03 -0.08 -1.58 -0.92 0.00 0.00 175.35 171.74 1xkl s HIS 6 N -2.89 3.08 -0.29 3.18 5.65 -1.26 -0.26 115.29 122.52 1xkl s HIS 6 Ca 0.62 -1.71 -0.15 0.00 0.25 0.00 0.00 55.06 54.07 1xkl s HIS 6 Cb -0.07 -2.03 -0.03 0.00 -1.18 0.00 0.00 32.58 29.27 1xkl s HIS 6 CO 0.41 -0.77 0.36 -0.06 -0.65 0.00 0.00 174.74 174.03 1xkl s PHE 7 N 1.28 3.23 -0.41 3.88 0.08 0.19 -1.43 117.98 124.80 1xkl s PHE 7 Ca -0.01 0.29 -0.13 0.00 0.12 0.00 0.00 56.93 57.20 1xkl s PHE 7 Cb -0.17 -2.59 0.04 0.00 -0.57 0.00 0.00 43.02 39.73 1xkl s PHE 7 CO -0.05 -0.28 0.27 0.08 -0.10 0.00 0.00 175.22 175.14 1xkl s VAL 8 N 2.05 4.86 -0.23 -0.44 1.01 -0.85 -0.95 120.40 125.85 1xkl s VAL 8 Ca 0.14 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 1xkl s VAL 8 Cb -0.16 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1xkl s VAL 8 CO 0.11 -0.34 0.27 -0.76 0.00 0.00 0.00 175.10 174.37 1xkl s LEU 9 N 1.59 4.12 -0.27 3.92 1.43 -0.26 -0.96 118.68 128.26 1xkl s LEU 9 Ca 0.03 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1xkl s LEU 9 Cb -0.20 -2.29 0.05 0.00 0.03 0.00 0.00 46.19 43.77 1xkl s LEU 9 CO 0.07 -0.01 -0.07 -0.69 0.23 0.00 0.00 176.35 175.89 1xkl s VAL 10 N 1.25 2.62 1.17 -1.59 1.01 0.58 -3.59 120.40 121.85 1xkl s VAL 10 Ca 0.13 -1.35 -0.14 0.00 0.00 0.00 0.00 61.98 60.61 1xkl s VAL 10 Cb -0.14 -2.45 0.28 0.00 0.00 0.00 0.00 36.38 34.07 1xkl s VAL 10 CO 0.06 0.04 1.03 -1.38 0.00 0.00 0.00 175.10 174.86 1xkl s HIS 11 N 1.22 1.23 0.00 5.22 -3.43 -1.26 -1.32 115.29 116.95 1xkl s HIS 11 Ca -0.04 0.99 0.00 0.00 -0.80 0.00 0.00 55.06 55.20 1xkl s HIS 11 Cb -0.19 -3.13 0.00 0.00 -1.43 0.00 0.00 32.58 27.83 1xkl s HIS 11 CO -0.04 -3.84 0.00 0.41 -2.00 0.00 0.00 174.74 169.27 1xkl n GLY 12 N 0.31 1.52 3.75 -1.38 0.00 -1.19 -3.46 105.19 104.75 1xkl n GLY 12 Ca 0.05 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 1xkl n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkl s ALA 13 N -2.28 3.53 0.00 4.61 0.00 -1.26 -2.82 121.76 123.54 1xkl s ALA 13 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1xkl s ALA 13 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1xkl s ALA 13 CO 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 175.76 175.17 1xkl n HIS 15 N -2.35 -0.05 -3.45 0.00 -0.00 -1.13 -2.31 115.22 105.93 1xkl n HIS 15 Ca 0.00 -0.64 -0.04 0.00 -0.00 0.00 0.00 57.72 57.04 1xkl n HIS 15 Cb 0.11 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.00 1xkl n HIS 15 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xkl n GLY 16 N 3.38 2.15 0.36 -1.41 0.00 -1.26 -3.93 105.19 104.48 1xkl n GLY 16 Ca -0.04 -1.24 0.18 0.00 0.00 0.00 0.00 46.02 44.91 1xkl n GLY 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xkl h GLY 17 N 0.63 0.01 0.97 -0.02 0.00 -1.75 -1.66 103.07 101.25 1xkl h GLY 17 Ca -0.10 -0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.37 1xkl h GLY 17 CO 0.13 0.00 0.38 0.11 0.00 0.00 0.00 176.54 177.16 1xkl h TRP 18 N 0.01 0.05 -0.06 5.60 5.08 -1.89 -2.03 115.95 122.70 1xkl h TRP 18 Ca 0.21 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.20 1xkl h TRP 18 Cb 0.84 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 26.98 1xkl h TRP 18 CO -0.00 0.02 0.11 0.66 -1.28 0.00 0.00 178.44 177.95 1xkl h SER 19 N 0.04 0.00 -0.45 0.11 4.64 -1.71 -1.10 113.55 115.08 1xkl h SER 19 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1xkl h SER 19 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1xkl h SER 19 CO -0.01 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.74 1xkl n TRP 20 N -3.49 0.59 0.06 4.77 7.02 -0.76 -4.54 117.44 121.09 1xkl n TRP 20 Ca -0.01 -0.30 0.20 0.00 -1.02 0.00 0.00 57.50 56.37 1xkl n TRP 20 Cb 0.20 0.00 0.74 0.00 -2.42 0.00 0.00 31.31 29.83 1xkl n TRP 20 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 1xkl h TYR 21 N 2.82 0.00 0.00 -5.99 -0.00 -1.36 0.04 116.97 112.48 1xkl h TYR 21 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.55 1xkl h TYR 21 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.34 1xkl h TYR 21 CO 0.30 0.00 -1.21 0.87 -0.00 0.00 0.00 178.16 178.12 1xkl h LYS 22 N 0.00 0.00 0.05 0.10 1.57 -1.85 -3.39 116.57 113.05 1xkl h LYS 22 Ca 0.21 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.85 1xkl h LYS 22 Cb 0.96 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 1xkl h LYS 22 CO -0.00 0.48 -0.68 1.25 -0.57 0.00 0.00 179.45 179.92 1xkl h LEU 23 N 0.00 0.17 -0.85 2.94 5.85 -1.49 -3.38 115.31 118.55 1xkl h LEU 23 Ca -0.13 -0.86 0.14 0.00 0.84 0.00 0.00 57.88 57.87 1xkl h LEU 23 Cb 1.65 -0.05 -0.15 0.00 0.37 0.00 0.00 40.66 42.48 1xkl h LEU 23 CO 0.07 1.30 -0.35 0.50 -0.34 0.00 0.00 178.44 179.61 1xkl h LYS 24 N -0.74 -0.05 -0.15 1.25 3.64 -1.24 0.11 116.57 119.38 1xkl h LYS 24 Ca -0.16 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1xkl h LYS 24 Cb 1.33 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 1xkl h LYS 24 CO -0.00 -0.04 0.10 -1.35 -2.27 0.00 0.00 179.45 175.90 1xkl h PRO 25 N -0.06 0.12 -0.15 1.90 0.11 -1.76 -1.59 132.00 130.56 1xkl h PRO 25 Ca 0.32 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.31 1xkl h PRO 25 Cb 0.59 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1xkl h PRO 25 CO -0.88 0.08 -0.35 -0.07 -0.21 0.00 0.00 178.00 176.57 1xkl h LEU 26 N 0.12 0.57 -0.93 2.35 3.38 -0.97 -1.58 115.31 118.25 1xkl h LEU 26 Ca 0.06 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 1xkl h LEU 26 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1xkl h LEU 26 CO -0.01 1.03 -0.18 -0.07 0.09 0.00 0.00 178.44 179.31 1xkl h LEU 27 N 0.13 0.58 -0.37 1.67 3.38 -1.03 -2.78 115.31 116.89 1xkl h LEU 27 Ca 0.00 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.62 1xkl h LEU 27 Cb 0.95 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1xkl h LEU 27 CO 0.08 0.77 -0.54 -0.33 0.09 0.00 0.00 178.44 178.50 1xkl h GLU 28 N 0.52 0.78 -0.03 1.13 5.08 -1.28 -2.18 114.58 118.60 1xkl h GLU 28 Ca 0.09 -0.49 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1xkl h GLU 28 Cb 0.60 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1xkl h GLU 28 CO 0.04 1.12 0.02 0.00 -1.00 0.00 0.00 179.01 179.19 1xkl h ALA 29 N 0.78 1.97 -0.09 3.43 0.00 -1.05 0.35 119.26 124.66 1xkl h ALA 29 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xkl h ALA 29 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xkl h ALA 29 CO 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1xkl n ALA 30 N -2.52 2.53 -2.03 0.00 0.00 -1.07 -4.89 120.51 112.54 1xkl n ALA 30 Ca -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 53.44 53.18 1xkl n ALA 30 Cb 0.12 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 1xkl n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xkl n GLY 31 N 0.80 0.41 3.58 0.00 0.00 0.12 -4.99 105.19 105.11 1xkl n GLY 31 Ca 0.10 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 1xkl n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xkl s HIS 32 N -2.07 2.53 -0.06 1.61 3.76 -0.85 -4.44 115.29 115.78 1xkl s HIS 32 Ca 0.00 -0.29 -0.13 0.00 -0.15 0.00 0.00 55.06 54.50 1xkl s HIS 32 Cb -0.00 -1.15 -0.05 0.00 1.11 0.00 0.00 32.58 32.49 1xkl s HIS 32 CO 0.00 0.64 0.32 0.21 -0.85 0.00 0.00 174.74 175.07 1xkl s LYS 33 N -3.62 3.86 -0.03 1.40 2.20 0.65 -4.02 119.74 120.18 1xkl s LYS 33 Ca 0.31 0.22 0.02 0.00 -0.36 0.00 0.00 55.97 56.17 1xkl s LYS 33 Cb -0.05 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1xkl s LYS 33 CO 0.18 0.63 -0.09 0.08 -0.36 0.00 0.00 175.35 175.79 1xkl s VAL 34 N -0.77 0.79 -0.19 4.02 1.01 -1.26 0.53 120.40 124.51 1xkl s VAL 34 Ca 0.20 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1xkl s VAL 34 Cb -0.15 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.57 1xkl s VAL 34 CO 0.09 0.25 -0.09 -0.89 0.00 0.00 0.00 175.10 174.46 1xkl s THR 35 N 0.26 1.54 -0.92 3.92 2.01 -0.12 -4.96 115.64 117.36 1xkl s THR 35 Ca -0.04 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 60.99 1xkl s THR 35 Cb -0.09 -1.64 0.23 0.00 0.01 0.00 0.00 72.50 71.01 1xkl s THR 35 CO 0.01 0.16 0.82 0.00 -0.69 0.00 0.00 174.62 174.91 1xkl s ALA 36 N 1.44 4.31 0.81 7.40 0.00 -1.26 -1.10 121.76 133.36 1xkl s ALA 36 Ca -0.01 -3.84 -0.12 0.00 0.00 0.00 0.00 51.96 47.99 1xkl s ALA 36 Cb -0.16 -2.92 0.08 0.00 0.00 0.00 0.00 23.12 20.12 1xkl s ALA 36 CO -0.08 -2.15 1.13 -0.48 0.00 0.00 0.00 175.76 174.18 1xkl s LEU 37 N -1.33 2.47 -0.16 0.00 2.34 -1.24 -4.42 118.68 116.35 1xkl s LEU 37 Ca 0.28 1.01 -0.05 0.00 0.06 0.00 0.00 54.13 55.42 1xkl s LEU 37 Cb -0.08 -3.54 -0.04 0.00 -0.56 0.00 0.00 46.19 41.98 1xkl s LEU 37 CO -0.12 -1.97 0.03 -1.81 -1.06 0.00 0.00 176.35 171.42 1xkl s ASP 38 N -4.25 5.39 0.82 1.48 -0.00 -1.26 -3.15 116.67 115.70 1xkl s ASP 38 Ca 0.61 0.06 -0.11 0.00 -0.00 0.00 0.00 52.55 53.12 1xkl s ASP 38 Cb -0.13 -1.84 0.11 0.00 -0.00 0.00 0.00 42.92 41.07 1xkl s ASP 38 CO 0.52 0.22 1.16 -0.76 -0.00 0.00 0.00 175.17 176.31 1xkl s LEU 39 N 0.07 2.68 0.34 1.23 1.43 -1.26 -4.81 118.68 118.36 1xkl s LEU 39 Ca 0.04 0.47 -0.27 0.00 -1.03 0.00 0.00 54.13 53.33 1xkl s LEU 39 Cb -0.13 -2.87 -0.12 0.00 0.03 0.00 0.00 46.19 43.10 1xkl s LEU 39 CO 0.01 -2.06 1.14 0.00 0.23 0.00 0.00 176.35 175.68 1xkl n ALA 40 N -3.31 0.58 -2.45 4.21 0.00 -0.79 -1.59 120.51 117.16 1xkl n ALA 40 Ca 0.11 0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.78 1xkl n ALA 40 Cb 0.60 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.91 1xkl n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xkl n ALA 41 N 0.13 -0.80 -2.60 0.00 0.00 -1.26 -4.92 120.51 111.06 1xkl n ALA 41 Ca 0.07 0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 1xkl n ALA 41 Cb 0.35 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 1xkl n ALA 41 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xkl s SER 42 N -2.03 2.10 1.71 0.00 0.01 -0.62 -4.77 113.70 110.09 1xkl s SER 42 Ca 0.00 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1xkl s SER 42 Cb 0.00 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1xkl s SER 42 CO 0.00 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1xkl n GLY 43 N 1.45 3.57 1.43 3.44 0.00 -1.25 -1.78 105.19 112.04 1xkl n GLY 43 Ca -0.19 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1xkl n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xkl n THR 44 N 0.00 1.20 -2.17 2.61 -2.24 -1.26 -4.95 114.28 107.47 1xkl n THR 44 Ca 0.00 -1.05 -0.42 0.00 -2.27 0.00 0.00 64.05 60.31 1xkl n THR 44 Cb 0.00 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1xkl n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xkl s ASP 45 N -0.98 6.83 0.00 3.42 2.15 -0.74 -4.90 116.67 122.45 1xkl s ASP 45 Ca 0.50 2.29 0.16 0.00 0.43 0.00 0.00 52.55 55.94 1xkl s ASP 45 Cb 0.28 -2.58 0.70 0.00 -0.30 0.00 0.00 42.92 41.02 1xkl s ASP 45 CO 0.32 -0.67 1.51 0.18 -0.17 0.00 0.00 175.17 176.34 1xkl n LEU 46 N 4.21 0.00 -4.75 -1.34 4.77 -1.26 -4.33 117.00 114.31 1xkl n LEU 46 Ca 0.12 0.47 -0.35 0.00 -0.03 0.00 0.00 56.01 56.22 1xkl n LEU 46 Cb 0.43 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1xkl n LEU 46 CO 0.59 -0.21 0.82 -0.13 -1.33 0.00 0.00 177.39 177.12 1xkl s ARG 47 N -2.94 2.68 0.07 3.23 0.52 -1.26 -4.98 118.95 116.27 1xkl s ARG 47 Ca 0.09 1.76 0.02 0.00 -0.52 0.00 0.00 55.73 57.08 1xkl s ARG 47 Cb 0.11 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.64 1xkl s ARG 47 CO 0.29 -1.42 0.11 0.15 0.02 0.00 0.00 175.30 174.44 1xkl s LYS 48 N -3.60 3.01 0.53 3.54 1.02 -1.26 -4.06 119.74 118.92 1xkl s LYS 48 Ca 0.75 -0.62 0.20 0.00 0.02 0.00 0.00 55.97 56.32 1xkl s LYS 48 Cb -0.29 -2.80 1.41 0.00 -0.52 0.00 0.00 37.83 35.63 1xkl s LYS 48 CO 0.38 0.58 2.17 0.97 -0.92 0.00 0.00 175.35 178.53 1xkl h ILE 49 N 2.52 0.87 0.00 2.17 6.09 -1.86 -0.64 117.51 126.65 1xkl h ILE 49 Ca -0.46 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.97 1xkl h ILE 49 Cb 1.16 1.03 0.00 0.00 0.47 0.00 0.00 36.82 39.49 1xkl h ILE 49 CO 0.68 0.02 0.00 -0.62 -3.07 0.00 0.00 178.15 175.15 1xkl n GLU 50 N -4.31 0.15 0.00 2.19 4.71 -1.26 -2.06 120.64 120.06 1xkl n GLU 50 Ca -0.03 0.35 0.14 0.00 -0.01 0.00 0.00 57.16 57.61 1xkl n GLU 50 Cb 0.10 -1.77 0.53 0.00 -1.01 0.00 0.00 31.44 29.29 1xkl n GLU 50 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xkl n GLU 51 N -2.04 1.08 -3.73 3.49 1.02 -0.25 -4.76 120.64 115.45 1xkl n GLU 51 Ca 0.03 -0.54 -0.37 0.00 -0.02 0.00 0.00 57.16 56.25 1xkl n GLU 51 Cb 0.24 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 1xkl n GLU 51 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xkl s LEU 52 N -2.29 3.82 -0.01 -4.62 1.43 -0.87 -4.93 118.68 111.20 1xkl s LEU 52 Ca 0.32 -0.53 0.13 0.00 -1.03 0.00 0.00 54.13 53.02 1xkl s LEU 52 Cb 0.20 -1.93 -0.18 0.00 0.03 0.00 0.00 46.19 44.31 1xkl s LEU 52 CO 0.44 -0.15 0.36 -2.11 0.23 0.00 0.00 176.35 175.12 1xkl n ARG 53 N 4.92 1.16 -4.28 1.70 1.85 -1.26 -5.03 116.66 115.72 1xkl n ARG 53 Ca -0.15 -0.08 -0.15 0.00 -1.00 0.00 0.00 57.85 56.47 1xkl n ARG 53 Cb 0.49 -1.24 -0.10 0.00 -1.05 0.00 0.00 32.46 30.56 1xkl n ARG 53 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1xkl s THR 54 N -2.68 0.93 0.39 8.89 -4.23 -1.26 -4.81 115.64 112.87 1xkl s THR 54 Ca -0.02 -2.02 0.10 0.00 -1.18 0.00 0.00 61.69 58.57 1xkl s THR 54 Cb 0.09 -2.14 0.15 0.00 1.34 0.00 0.00 72.50 71.94 1xkl s THR 54 CO 0.53 -0.49 1.91 0.25 -0.54 0.00 0.00 174.62 176.29 1xkl h LEU 55 N 2.63 0.18 -0.23 4.79 5.85 -1.93 -2.79 115.31 123.82 1xkl h LEU 55 Ca -0.37 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1xkl h LEU 55 Cb 1.21 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1xkl h LEU 55 CO 0.64 0.36 0.12 0.22 -0.34 0.00 0.00 178.44 179.44 1xkl h TYR 56 N 0.18 0.31 -0.63 1.25 5.03 -1.96 -0.38 116.97 120.78 1xkl h TYR 56 Ca 0.04 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.41 1xkl h TYR 56 Cb 0.39 -0.10 -0.06 0.00 1.55 0.00 0.00 36.73 38.52 1xkl h TYR 56 CO 0.00 0.28 0.31 -0.44 -1.32 0.00 0.00 178.16 177.00 1xkl h ASP 57 N 0.25 0.43 -0.32 -2.11 3.32 -1.91 0.30 116.42 116.38 1xkl h ASP 57 Ca 0.08 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1xkl h ASP 57 Cb 0.08 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1xkl h ASP 57 CO -0.01 0.27 0.04 0.22 -1.72 0.00 0.00 179.24 178.04 1xkl h TYR 58 N 0.57 0.66 0.00 4.55 3.20 -1.39 -2.90 116.97 121.66 1xkl h TYR 58 Ca 0.29 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1xkl h TYR 58 Cb 0.25 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1xkl h TYR 58 CO -0.11 0.61 -0.42 2.41 -1.64 0.00 0.00 178.16 179.02 1xkl n THR 59 N -4.27 0.04 -0.32 1.81 -1.04 -0.18 -1.89 114.28 108.43 1xkl n THR 59 Ca 0.02 -0.03 0.03 0.00 -2.04 0.00 0.00 64.05 62.03 1xkl n THR 59 Cb 0.24 0.06 0.08 0.00 -1.82 0.00 0.00 70.33 68.90 1xkl n THR 59 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1xkl n LEU 60 N -1.57 -0.41 -0.23 -4.42 7.94 0.94 -0.42 117.00 118.82 1xkl n LEU 60 Ca 0.06 1.48 0.03 0.00 -1.11 0.00 0.00 56.01 56.46 1xkl n LEU 60 Cb 0.35 -0.40 0.15 0.00 0.53 0.00 0.00 43.42 44.05 1xkl n LEU 60 CO 0.34 -1.38 1.00 -0.65 -1.11 0.00 0.00 177.39 175.59 1xkl h PRO 61 N 0.00 0.41 -1.74 1.96 0.11 -1.83 -0.06 132.00 130.86 1xkl h PRO 61 Ca 0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1xkl h PRO 61 Cb 0.58 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1xkl h PRO 61 CO -0.87 0.27 0.00 -0.11 -0.21 0.00 0.00 178.00 177.09 1xkl n LEU 62 N -5.00 0.73 0.00 2.35 7.94 0.43 -1.73 117.00 121.72 1xkl n LEU 62 Ca 0.12 -0.37 0.00 0.00 -1.11 0.00 0.00 56.01 54.65 1xkl n LEU 62 Cb 0.35 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.18 1xkl n LEU 62 CO 0.20 0.12 0.00 -0.62 -1.11 0.00 0.00 177.39 175.98 1xkl n GLU 64 N 0.87 0.00 0.00 1.96 1.02 -0.04 -4.59 120.64 119.86 1xkl n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xkl n GLU 64 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.54 1xkl n GLU 64 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1xkl n LEU 65 N 0.00 0.76 0.00 -4.62 7.94 -0.70 -2.30 117.00 118.08 1xkl n LEU 65 Ca 0.00 -0.38 0.00 0.00 -1.11 0.00 0.00 56.01 54.52 1xkl n LEU 65 Cb 0.00 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 43.79 1xkl n LEU 65 CO 0.00 0.13 0.00 1.21 -1.11 0.00 0.00 177.39 177.62 1xkl n GLU 67 N 0.71 0.00 0.00 1.96 2.13 -1.26 -2.81 120.64 121.36 1xkl n GLU 67 Ca 0.00 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.96 1xkl n GLU 67 Cb 0.13 0.00 0.53 0.00 0.27 0.00 0.00 31.44 32.38 1xkl n GLU 67 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1xkl n SER 68 N 0.00 0.22 -4.71 4.31 3.41 -0.97 -4.88 113.62 111.00 1xkl n SER 68 Ca 0.00 0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 1xkl n SER 68 Cb 0.00 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 1xkl n SER 68 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xkl s LEU 69 N -2.86 4.37 0.68 1.04 1.43 -1.12 -4.96 118.68 117.24 1xkl s LEU 69 Ca 0.17 2.55 -0.17 0.00 -1.03 0.00 0.00 54.13 55.65 1xkl s LEU 69 Cb 0.19 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.83 1xkl s LEU 69 CO 0.56 -0.83 1.27 -1.20 0.23 0.00 0.00 176.35 176.38 1xkl n SER 70 N 4.57 1.87 -0.33 2.29 7.64 -1.26 -4.87 113.62 123.52 1xkl n SER 70 Ca 0.14 0.79 0.17 0.00 1.01 0.00 0.00 58.87 60.98 1xkl n SER 70 Cb 0.39 -1.55 0.40 0.00 -1.01 0.00 0.00 64.21 62.45 1xkl n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xkl h ALA 71 N 0.27 1.88 -0.71 -0.43 0.00 -1.98 -0.19 119.26 118.10 1xkl h ALA 71 Ca -0.50 0.08 -0.38 0.00 0.00 0.00 0.00 54.91 54.11 1xkl h ALA 71 Cb 1.33 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.87 1xkl h ALA 71 CO 0.52 -0.28 0.31 -0.40 0.00 0.00 0.00 179.25 179.40 1xkl n ASP 72 N -4.73 3.38 -3.30 0.00 5.75 -1.26 -4.72 116.55 111.67 1xkl n ASP 72 Ca 0.24 -3.71 -0.27 0.00 -0.01 0.00 0.00 54.79 51.04 1xkl n ASP 72 Cb 0.69 -0.75 -0.07 0.00 -1.03 0.00 0.00 41.12 39.97 1xkl n ASP 72 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1xkl n GLU 73 N -1.12 2.76 -1.69 0.11 2.13 -0.08 -5.08 120.64 117.67 1xkl n GLU 73 Ca 0.48 -4.73 -0.34 0.00 0.66 0.00 0.00 57.16 53.23 1xkl n GLU 73 Cb 1.33 -2.26 0.06 0.00 0.27 0.00 0.00 31.44 30.85 1xkl n GLU 73 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xkl s LYS 74 N -2.76 2.58 0.27 5.31 1.02 -1.26 -4.62 119.74 120.27 1xkl s LYS 74 Ca 0.42 1.62 0.04 0.00 0.02 0.00 0.00 55.97 58.07 1xkl s LYS 74 Cb 0.18 -1.90 -0.06 0.00 -0.52 0.00 0.00 37.83 35.53 1xkl s LYS 74 CO -0.04 -1.46 0.00 0.14 -0.92 0.00 0.00 175.35 173.06 1xkl s VAL 75 N -2.06 1.21 -0.40 3.17 -7.23 -0.60 -4.24 120.40 110.25 1xkl s VAL 75 Ca 0.72 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 1xkl s VAL 75 Cb -0.26 -2.49 0.10 0.00 0.56 0.00 0.00 36.38 34.29 1xkl s VAL 75 CO 0.41 -0.23 0.20 -0.63 -0.31 0.00 0.00 175.10 174.53 1xkl s ILE 76 N -3.30 3.45 -0.03 -0.62 1.01 -0.51 -0.48 121.20 120.72 1xkl s ILE 76 Ca 0.31 -1.85 -0.30 0.00 0.00 0.00 0.00 60.65 58.81 1xkl s ILE 76 Cb 0.06 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 1xkl s ILE 76 CO 0.11 -0.59 1.15 -0.76 0.00 0.00 0.00 174.94 174.85 1xkl s LEU 77 N 1.21 4.31 -0.22 2.97 1.43 -0.97 -2.00 118.68 125.41 1xkl s LEU 77 Ca 0.05 1.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.98 1xkl s LEU 77 Cb -0.23 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.47 1xkl s LEU 77 CO -0.03 -0.50 -0.14 -0.69 0.23 0.00 0.00 176.35 175.23 1xkl s VAL 78 N 1.77 1.99 -0.15 -1.59 1.01 -0.13 0.54 120.40 123.84 1xkl s VAL 78 Ca 0.55 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1xkl s VAL 78 Cb -0.24 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1xkl s VAL 78 CO 0.24 0.22 -0.07 -0.83 0.00 0.00 0.00 175.10 174.65 1xkl s GLY 79 N 1.24 1.64 -0.10 4.51 0.00 0.11 -0.31 107.32 114.41 1xkl s GLY 79 Ca -0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 1xkl s GLY 79 CO -0.09 -0.07 -0.03 -1.58 0.00 0.00 0.00 173.10 171.33 1xkl s HIS 80 N 0.45 3.05 0.00 1.90 5.65 -0.44 -0.57 115.29 125.33 1xkl s HIS 80 Ca -0.06 0.01 0.00 0.00 0.25 0.00 0.00 55.06 55.26 1xkl s HIS 80 Cb -0.15 -1.81 0.00 0.00 -1.18 0.00 0.00 32.58 29.45 1xkl s HIS 80 CO 0.04 0.29 0.00 0.45 -0.65 0.00 0.00 174.74 174.87 1xkl n SER 81 N 2.53 0.00 0.29 9.88 2.88 -1.03 0.67 113.62 128.85 1xkl n SER 81 Ca -0.18 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.51 1xkl n SER 81 Cb 0.53 0.00 0.90 0.00 -0.75 0.00 0.00 64.21 64.89 1xkl n SER 81 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1xkl h LEU 82 N 0.00 0.00 -1.66 2.46 5.85 -1.87 -1.22 115.31 118.87 1xkl h LEU 82 Ca 0.00 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.91 1xkl h LEU 82 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1xkl h LEU 82 CO 0.00 0.00 0.74 1.23 -0.34 0.00 0.00 178.44 180.07 1xkl h GLY 83 N 0.00 0.00 -1.86 3.75 0.00 0.21 -3.16 103.07 102.02 1xkl h GLY 83 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1xkl h GLY 83 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1xkl n GLY 84 N -1.58 0.03 1.72 4.60 0.00 -0.56 -1.43 105.19 107.99 1xkl n GLY 84 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1xkl n GLY 84 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xkl n ASN 86 N 0.92 0.00 0.16 1.61 4.13 -1.19 -2.55 115.26 118.33 1xkl n ASN 86 Ca 0.00 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.30 1xkl n ASN 86 Cb 0.01 0.00 0.47 0.00 -1.54 0.00 0.00 39.78 38.72 1xkl n ASN 86 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1xkl h LEU 87 N 0.00 0.16 -0.37 3.41 4.07 -1.56 -2.85 115.31 118.16 1xkl h LEU 87 Ca 0.00 -0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.00 1xkl h LEU 87 Cb 0.00 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 41.65 1xkl h LEU 87 CO 0.00 0.25 0.05 1.23 -1.08 0.00 0.00 178.44 178.89 1xkl h GLY 88 N 0.52 0.42 1.10 0.83 0.00 -1.78 -2.21 103.07 101.95 1xkl h GLY 88 Ca 0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1xkl h GLY 88 CO 0.01 -0.05 0.24 1.41 0.00 0.00 0.00 176.54 178.15 1xkl h LEU 89 N 0.17 1.06 -1.47 3.11 4.07 -1.84 -0.36 115.31 120.05 1xkl h LEU 89 Ca 0.18 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1xkl h LEU 89 Cb 0.22 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1xkl h LEU 89 CO -0.25 0.97 0.00 0.00 -1.08 0.00 0.00 178.44 178.08 1xkl n ALA 90 N -2.45 1.64 0.00 1.53 0.00 -0.83 -1.88 120.51 118.52 1xkl n ALA 90 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1xkl n ALA 90 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1xkl n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xkl n GLU 92 N 0.58 0.00 -0.08 0.00 4.07 -0.14 0.10 120.64 125.16 1xkl n GLU 92 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 1xkl n GLU 92 Cb 0.12 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.35 1xkl n GLU 92 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1xkl n LYS 93 N 0.00 0.68 -2.65 5.31 3.00 -0.79 -4.56 118.16 119.15 1xkl n LYS 93 Ca 0.00 0.12 -0.21 0.00 -0.00 0.00 0.00 58.31 58.22 1xkl n LYS 93 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 33.43 1xkl n LYS 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1xkl n TYR 94 N -2.99 2.58 -0.28 5.64 4.01 0.11 -4.92 117.16 121.32 1xkl n TYR 94 Ca -0.31 -3.20 0.04 0.00 -0.16 0.00 0.00 57.90 54.27 1xkl n TYR 94 Cb 1.09 -0.25 0.18 0.00 -0.31 0.00 0.00 39.34 40.05 1xkl n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xkl h PRO 95 N 2.79 0.64 -0.02 -0.72 0.13 -1.81 -1.89 132.00 131.11 1xkl h PRO 95 Ca 0.14 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1xkl h PRO 95 Cb 0.94 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1xkl h PRO 95 CO 0.72 0.42 0.00 1.04 -0.23 0.00 0.00 178.00 179.95 1xkl n GLN 96 N -4.84 1.07 -0.24 0.86 6.02 -1.26 -2.73 117.38 116.26 1xkl n GLN 96 Ca 0.14 -0.10 0.09 0.00 -0.01 0.00 0.00 57.00 57.12 1xkl n GLN 96 Cb 0.34 -1.22 0.22 0.00 1.02 0.00 0.00 30.24 30.60 1xkl n GLN 96 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1xkl n LYS 97 N -0.61 2.60 -4.07 -1.09 5.02 -0.71 -4.91 118.16 114.39 1xkl n LYS 97 Ca 0.10 -2.25 -0.33 0.00 -2.02 0.00 0.00 58.31 53.82 1xkl n LYS 97 Cb 0.07 -1.41 -0.15 0.00 -0.02 0.00 0.00 35.03 33.52 1xkl n LYS 97 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xkl s ILE 98 N -1.07 2.29 0.06 -0.18 1.01 -1.11 -1.56 121.20 120.65 1xkl s ILE 98 Ca 0.34 -1.13 -0.23 0.00 0.00 0.00 0.00 60.65 59.63 1xkl s ILE 98 Cb 0.18 -2.11 -0.14 0.00 0.01 0.00 0.00 42.46 40.40 1xkl s ILE 98 CO 0.24 0.31 1.58 1.88 0.00 0.00 0.00 174.94 178.96 1xkl h TYR 99 N 7.91 0.11 -1.82 3.97 0.99 -1.10 -3.46 116.97 123.57 1xkl h TYR 99 Ca -0.36 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.36 1xkl h TYR 99 Cb 1.11 -0.03 -0.21 0.00 1.00 0.00 0.00 36.73 38.60 1xkl h TYR 99 CO 0.54 0.25 0.33 0.00 -0.00 0.00 0.00 178.16 179.28 1xkl s ALA 100 N -5.48 -1.84 -0.24 3.88 0.00 -1.25 -4.67 121.76 112.16 1xkl s ALA 100 Ca -0.14 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.21 1xkl s ALA 100 Cb 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1xkl s ALA 100 CO 0.68 -0.34 0.06 0.00 0.00 0.00 0.00 175.76 176.16 1xkl s ALA 101 N -1.08 3.16 -0.19 0.00 0.00 -0.22 -2.30 121.76 121.13 1xkl s ALA 101 Ca -0.07 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 1xkl s ALA 101 Cb -0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1xkl s ALA 101 CO 0.06 -0.41 0.02 0.08 0.00 0.00 0.00 175.76 175.51 1xkl s VAL 102 N 1.47 4.19 -0.41 0.00 1.01 0.19 -0.73 120.40 126.12 1xkl s VAL 102 Ca 0.06 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1xkl s VAL 102 Cb -0.15 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.42 1xkl s VAL 102 CO 0.03 0.44 0.25 -0.36 0.00 0.00 0.00 175.10 175.45 1xkl s PHE 103 N 0.80 3.36 -0.51 5.22 0.40 0.11 0.04 117.98 127.40 1xkl s PHE 103 Ca 0.01 -1.62 -0.20 0.00 -0.60 0.00 0.00 56.93 54.52 1xkl s PHE 103 Cb -0.14 -2.95 0.05 0.00 0.51 0.00 0.00 43.02 40.49 1xkl s PHE 103 CO 0.02 -0.86 0.69 -1.17 0.70 0.00 0.00 175.22 174.61 1xkl s LEU 104 N 1.39 4.74 -1.66 -0.37 2.96 0.27 -0.56 118.68 125.44 1xkl s LEU 104 Ca 0.03 -0.74 -0.09 0.00 -0.22 0.00 0.00 54.13 53.11 1xkl s LEU 104 Cb -0.23 -2.55 0.09 0.00 0.50 0.00 0.00 46.19 44.00 1xkl s LEU 104 CO 0.01 -0.95 0.29 0.00 -1.32 0.00 0.00 176.35 174.38 1xkl n ALA 105 N 6.45 -1.69 -2.38 5.97 0.00 -0.86 -2.46 120.51 125.55 1xkl n ALA 105 Ca -0.04 -0.31 -0.25 0.00 0.00 0.00 0.00 53.44 52.83 1xkl n ALA 105 Cb 0.46 -1.60 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 1xkl n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xkl s ALA 106 N -3.90 4.27 0.66 0.00 0.00 -1.26 -2.92 121.76 118.60 1xkl s ALA 106 Ca 0.33 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1xkl s ALA 106 Cb -0.19 -0.72 0.12 0.00 0.00 0.00 0.00 23.12 22.32 1xkl s ALA 106 CO 1.00 -0.37 0.84 1.19 0.00 0.00 0.00 175.76 178.41 1xkl n PHE 107 N -1.66 -2.87 -3.21 0.00 3.01 -0.65 -4.87 117.46 107.22 1xkl n PHE 107 Ca -0.01 -1.60 -0.02 0.00 1.01 0.00 0.00 57.45 56.83 1xkl n PHE 107 Cb 0.64 -0.61 0.01 0.00 -0.01 0.00 0.00 39.48 39.51 1xkl n PHE 107 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1xkl n PRO 109 N -2.51 0.25 -3.81 -1.08 -0.05 -1.26 -4.09 135.00 122.46 1xkl n PRO 109 Ca 0.14 -0.50 -0.05 0.00 -0.05 0.00 0.00 63.50 63.04 1xkl n PRO 109 Cb 0.52 0.63 -0.01 0.00 -0.05 0.00 0.00 33.50 34.59 1xkl n PRO 109 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 175.50 175.61 1xkl s ASP 110 N -1.48 -0.17 -0.21 3.54 3.84 -1.26 -5.03 116.67 115.89 1xkl s ASP 110 Ca 0.04 -0.56 0.13 0.00 -0.00 0.00 0.00 52.55 52.16 1xkl s ASP 110 Cb -0.01 0.60 0.74 0.00 -1.38 0.00 0.00 42.92 42.87 1xkl s ASP 110 CO 0.03 -1.12 1.63 -1.54 -0.00 0.00 0.00 175.17 174.16 1xkl n SER 111 N -0.61 5.27 -0.09 2.11 3.41 -1.26 -4.41 113.62 118.05 1xkl n SER 111 Ca -0.05 -2.83 -0.15 0.00 -0.26 0.00 0.00 58.87 55.57 1xkl n SER 111 Cb 0.60 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 1xkl n SER 111 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xkl n VAL 112 N 0.58 1.38 -2.69 -3.33 0.31 -1.26 -4.58 118.33 108.73 1xkl n VAL 112 Ca 0.25 -0.05 -0.23 0.00 -0.01 0.00 0.00 64.34 64.30 1xkl n VAL 112 Cb 1.10 -2.04 0.10 0.00 -0.91 0.00 0.00 33.84 32.10 1xkl n VAL 112 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1xkl s HIS 113 N -2.61 1.39 0.39 3.52 3.76 -1.26 -5.04 115.29 115.44 1xkl s HIS 113 Ca -0.28 -0.42 -0.27 0.00 -0.15 0.00 0.00 55.06 53.94 1xkl s HIS 113 Cb 0.08 -2.83 -0.10 0.00 1.11 0.00 0.00 32.58 30.84 1xkl s HIS 113 CO 0.38 -1.67 1.41 1.21 -0.85 0.00 0.00 174.74 175.22 1xkl s ASN 114 N -4.75 6.34 0.56 1.40 2.47 -1.26 -4.85 114.94 114.84 1xkl s ASN 114 Ca 0.66 2.89 0.30 0.00 0.42 0.00 0.00 52.86 57.13 1xkl s ASN 114 Cb -0.05 -2.66 1.46 0.00 -1.45 0.00 0.00 41.25 38.56 1xkl s ASN 114 CO 0.44 -0.86 1.89 0.28 -3.72 0.00 0.00 177.10 175.13 1xkl h SER 115 N 2.90 0.00 -0.21 -4.21 0.02 -1.52 0.17 113.55 110.69 1xkl h SER 115 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1xkl h SER 115 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1xkl h SER 115 CO 0.64 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.79 1xkl n SER 116 N -4.04 2.23 -0.01 3.07 3.41 -1.15 -4.56 113.62 112.57 1xkl n SER 116 Ca 0.14 -1.80 -0.11 0.00 -0.26 0.00 0.00 58.87 56.84 1xkl n SER 116 Cb 0.82 -0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.59 1xkl n SER 116 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1xkl h PHE 117 N 2.98 -1.08 -0.55 7.33 3.57 -1.01 0.12 116.94 128.31 1xkl h PHE 117 Ca 0.00 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1xkl h PHE 117 Cb 0.65 0.49 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 1xkl h PHE 117 CO 0.13 -0.45 0.36 -0.39 -2.23 0.00 0.00 178.31 175.74 1xkl h VAL 118 N -0.45 1.12 -0.19 1.41 -1.51 -1.80 0.10 116.25 114.94 1xkl h VAL 118 Ca 0.09 -0.25 -0.05 0.00 -1.23 0.00 0.00 66.70 65.26 1xkl h VAL 118 Cb 0.60 0.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 1xkl h VAL 118 CO -0.39 0.13 -0.06 -0.07 -1.23 0.00 0.00 177.57 175.95 1xkl h LEU 119 N 0.72 0.38 -0.51 4.19 3.38 -1.71 -0.95 115.31 120.82 1xkl h LEU 119 Ca 0.21 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1xkl h LEU 119 Cb -0.05 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1xkl h LEU 119 CO -0.05 0.68 0.30 -0.33 0.09 0.00 0.00 178.44 179.14 1xkl h GLU 120 N 0.08 0.59 -0.65 1.13 5.08 -0.37 0.23 114.58 120.66 1xkl h GLU 120 Ca 0.05 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1xkl h GLU 120 Cb 0.52 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1xkl h GLU 120 CO 0.02 0.39 0.35 1.96 -1.00 0.00 0.00 179.01 180.73 1xkl h GLN 121 N 0.61 0.92 0.03 2.33 1.08 -0.91 -1.45 115.11 117.71 1xkl h GLN 121 Ca 0.21 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1xkl h GLN 121 Cb 0.03 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1xkl h GLN 121 CO -0.10 0.70 -0.01 -0.92 -0.95 0.00 0.00 178.83 177.55 1xkl h TYR 122 N 0.89 -0.03 -0.69 2.96 3.20 -0.52 -1.90 116.97 120.88 1xkl h TYR 122 Ca 0.23 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.19 1xkl h TYR 122 Cb 0.06 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1xkl h TYR 122 CO -0.00 0.01 0.46 -0.97 -1.64 0.00 0.00 178.16 176.02 1xkl h ASN 123 N -0.07 0.52 0.10 -2.11 -0.73 -0.23 -1.72 115.58 111.34 1xkl h ASN 123 Ca -0.00 0.01 -0.19 0.00 1.87 0.00 0.00 56.30 57.99 1xkl h ASN 123 Cb 0.06 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.55 1xkl h ASN 123 CO 0.01 0.32 -0.72 -0.33 -0.37 0.00 0.00 177.43 176.34 1xkl h GLU 124 N 0.58 0.54 -0.17 6.67 4.39 -0.93 -2.97 114.58 122.69 1xkl h GLU 124 Ca 0.32 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1xkl h GLU 124 Cb 0.47 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1xkl h GLU 124 CO -0.11 1.05 0.00 0.54 -1.16 0.00 0.00 179.01 179.34 1xkl n ARG 125 N -3.88 1.49 -4.02 2.33 1.74 -0.75 -4.68 116.66 108.89 1xkl n ARG 125 Ca -0.05 -0.76 -0.31 0.00 -0.77 0.00 0.00 57.85 55.96 1xkl n ARG 125 Cb 0.70 -1.25 -0.15 0.00 -1.02 0.00 0.00 32.46 30.74 1xkl n ARG 125 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1xkl s THR 126 N -1.77 2.16 0.60 0.55 2.01 -0.73 -5.06 115.64 113.40 1xkl s THR 126 Ca 0.22 -2.01 -0.18 0.00 0.31 0.00 0.00 61.69 60.03 1xkl s THR 126 Cb 0.11 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 1xkl s THR 126 CO 0.16 -0.37 1.18 -2.16 -0.69 0.00 0.00 174.62 172.74 1xkl s PRO 127 N 1.02 2.97 0.30 4.92 0.04 -1.26 -4.89 135.00 138.09 1xkl s PRO 127 Ca 0.03 1.71 0.04 0.00 0.04 0.00 0.00 61.00 62.83 1xkl s PRO 127 Cb -0.19 -1.94 0.69 0.00 0.04 0.00 0.00 34.50 33.10 1xkl s PRO 127 CO -0.07 -1.18 1.78 0.00 0.04 0.00 0.00 177.00 177.56 1xkl h ALA 128 N 0.75 1.60 -0.93 8.56 0.00 -1.99 -2.09 119.26 125.15 1xkl h ALA 128 Ca -0.50 0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.59 1xkl h ALA 128 Cb 1.28 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1xkl h ALA 128 CO 0.55 -0.03 0.60 1.05 0.00 0.00 0.00 179.25 181.42 1xkl h GLU 129 N 0.77 0.90 -0.43 0.00 4.11 -1.95 -1.75 114.58 116.23 1xkl h GLU 129 Ca 0.56 -0.05 0.12 0.00 0.07 0.00 0.00 59.36 60.06 1xkl h GLU 129 Cb 0.83 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1xkl h GLU 129 CO -0.37 0.60 0.39 -0.91 0.07 0.00 0.00 179.01 178.79 1xkl h ASN 130 N 0.93 0.00 0.79 3.06 4.21 -1.74 0.29 115.58 123.12 1xkl h ASN 130 Ca 0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.95 1xkl h ASN 130 Cb 0.43 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 1xkl h ASN 130 CO -0.20 0.00 0.00 0.79 -1.29 0.00 0.00 177.43 176.73 1xkl n TRP 131 N -3.97 0.55 0.00 1.19 7.02 -0.66 -4.94 117.44 116.63 1xkl n TRP 131 Ca 0.08 0.20 0.00 0.00 -1.02 0.00 0.00 57.50 56.76 1xkl n TRP 131 Cb 0.58 -0.83 0.00 0.00 -2.42 0.00 0.00 31.31 28.64 1xkl n TRP 131 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1xkl n LEU 132 N -1.98 0.00 -1.31 -0.99 4.77 0.09 -1.03 117.00 116.54 1xkl n LEU 132 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1xkl n LEU 132 Cb 0.25 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.58 1xkl n LEU 132 CO 0.20 0.00 0.62 -0.90 -1.33 0.00 0.00 177.39 175.98 1xkl n ASP 133 N 5.43 3.77 -4.77 -1.43 3.85 -1.26 -4.95 116.55 117.19 1xkl n ASP 133 Ca 0.00 -2.54 -0.40 0.00 -0.71 0.00 0.00 54.79 51.14 1xkl n ASP 133 Cb 0.00 -0.60 -0.01 0.00 -1.35 0.00 0.00 41.12 39.15 1xkl n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1xkl s THR 134 N -2.03 2.59 -0.27 2.12 2.01 -0.19 -3.92 115.64 115.95 1xkl s THR 134 Ca 0.32 0.57 -0.10 0.00 0.31 0.00 0.00 61.69 62.79 1xkl s THR 134 Cb 0.24 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 1xkl s THR 134 CO 0.10 0.12 0.16 -1.10 -0.69 0.00 0.00 174.62 173.21 1xkl s GLN 135 N -1.99 3.92 -0.24 4.92 -0.21 0.64 -4.91 119.66 121.79 1xkl s GLN 135 Ca 0.52 -0.34 -0.02 0.00 0.02 0.00 0.00 55.36 55.54 1xkl s GLN 135 Cb -0.40 -3.57 0.02 0.00 1.00 0.00 0.00 33.01 30.06 1xkl s GLN 135 CO 0.53 -0.13 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.45 1xkl s PHE 136 N 1.58 3.03 0.03 0.91 0.08 -1.26 -0.63 117.98 121.73 1xkl s PHE 136 Ca 0.07 -1.46 0.04 0.00 0.12 0.00 0.00 56.93 55.70 1xkl s PHE 136 Cb -0.15 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.22 1xkl s PHE 136 CO 0.08 -0.70 -0.12 -0.51 -0.10 0.00 0.00 175.22 173.87 1xkl s LEU 137 N 1.35 2.16 0.18 -0.37 1.43 -0.65 -4.94 118.68 117.84 1xkl s LEU 137 Ca 0.01 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.49 1xkl s LEU 137 Cb -0.16 -0.47 -0.08 0.00 0.03 0.00 0.00 46.19 45.52 1xkl s LEU 137 CO -0.05 -0.01 0.69 -2.16 0.23 0.00 0.00 176.35 175.05 1xkl s PRO 138 N -1.08 4.26 0.00 1.29 0.04 -1.26 0.09 135.00 138.34 1xkl s PRO 138 Ca -0.01 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1xkl s PRO 138 Cb -0.07 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1xkl s PRO 138 CO 0.01 0.46 0.89 2.48 0.04 0.00 0.00 177.00 180.88 1xkl n TYR 139 N 0.99 0.00 0.00 0.56 4.11 0.19 -4.93 117.16 118.08 1xkl n TYR 139 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 1xkl n TYR 139 Cb 0.51 -0.03 0.00 0.00 -0.00 0.00 0.00 39.34 39.81 1xkl n TYR 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xkl n GLY 140 N 0.00 1.26 3.28 -7.48 0.00 -1.20 -4.84 105.19 96.22 1xkl n GLY 140 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1xkl n GLY 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xkl s SER 141 N 0.05 -0.15 0.64 1.61 1.04 -0.32 -4.86 113.70 111.72 1xkl s SER 141 Ca 0.00 -0.36 0.35 0.00 0.48 0.00 0.00 55.95 56.42 1xkl s SER 141 Cb 0.00 0.43 1.91 0.00 0.10 0.00 0.00 66.02 68.46 1xkl s SER 141 CO 0.00 -0.79 2.13 1.55 0.98 0.00 0.00 173.24 177.11 1xkl h PRO 142 N 2.57 0.00 0.02 4.02 0.13 -2.01 0.25 132.00 136.99 1xkl h PRO 142 Ca -0.34 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.45 1xkl h PRO 142 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1xkl h PRO 142 CO 0.49 0.00 -2.08 -0.85 -0.23 0.00 0.00 178.00 175.33 1xkl n GLU 143 N -3.24 0.68 -3.39 0.86 0.00 -1.26 -4.55 120.64 109.73 1xkl n GLU 143 Ca -0.01 0.18 -0.26 0.00 0.00 0.00 0.00 57.16 57.06 1xkl n GLU 143 Cb 0.26 -1.66 -0.08 0.00 0.00 0.00 0.00 31.44 29.96 1xkl n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1xkl n GLU 144 N -3.07 1.92 -1.83 3.44 4.07 -0.40 -5.10 120.64 119.67 1xkl n GLU 144 Ca -0.29 -4.22 -0.42 0.00 -0.06 0.00 0.00 57.16 52.17 1xkl n GLU 144 Cb 1.07 -1.96 -0.03 0.00 -0.06 0.00 0.00 31.44 30.47 1xkl n GLU 144 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1xkl s PRO 145 N -1.98 4.17 -0.02 5.31 0.04 0.75 -1.18 135.00 142.09 1xkl s PRO 145 Ca 0.37 2.49 0.01 0.00 0.04 0.00 0.00 61.00 63.92 1xkl s PRO 145 Cb 0.14 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.60 1xkl s PRO 145 CO -0.05 -0.65 -0.04 -0.51 0.04 0.00 0.00 177.00 175.79 1xkl s LEU 146 N 0.72 1.57 -0.01 -3.56 1.43 -1.26 -4.85 118.68 112.72 1xkl s LEU 146 Ca 0.70 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 1xkl s LEU 146 Cb -0.47 -0.31 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 1xkl s LEU 146 CO 0.36 -0.02 -0.18 -0.89 0.23 0.00 0.00 176.35 175.85 1xkl s THR 147 N 0.51 1.44 0.00 5.49 2.01 -1.26 -0.64 115.64 123.19 1xkl s THR 147 Ca -0.06 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1xkl s THR 147 Cb -0.09 -1.20 0.00 0.00 0.01 0.00 0.00 72.50 71.21 1xkl s THR 147 CO -0.00 0.37 0.00 -1.54 -0.69 0.00 0.00 174.62 172.75 1xkl n SER 148 N 2.53 0.90 0.00 3.53 3.41 0.11 -4.63 113.62 119.48 1xkl n SER 148 Ca -0.15 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1xkl n SER 148 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1xkl n SER 148 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1xkl n PHE 150 N -0.19 0.00 -1.75 7.33 7.35 0.20 -1.64 117.46 128.75 1xkl n PHE 150 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1xkl n PHE 150 Cb 0.00 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 1xkl n PHE 150 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1xkl s PHE 151 N 0.00 2.83 0.59 -5.13 0.08 -1.26 -0.26 117.98 114.84 1xkl s PHE 151 Ca 0.00 0.56 -0.01 0.00 0.12 0.00 0.00 56.93 57.59 1xkl s PHE 151 Cb 0.00 -4.10 0.04 0.00 -0.57 0.00 0.00 43.02 38.38 1xkl s PHE 151 CO 0.00 -3.96 0.85 0.20 -0.10 0.00 0.00 175.22 172.21 1xkl s GLY 152 N 0.85 1.76 0.32 4.36 0.00 -1.25 -4.88 107.32 108.48 1xkl s GLY 152 Ca 0.69 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1xkl s GLY 152 CO 0.40 -0.85 1.97 -0.56 0.00 0.00 0.00 173.10 174.05 1xkl h PRO 153 N -0.13 0.91 -0.19 2.90 0.13 -1.95 -1.88 132.00 131.80 1xkl h PRO 153 Ca -0.43 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1xkl h PRO 153 Cb 1.30 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1xkl h PRO 153 CO 0.55 0.64 0.01 0.87 -0.23 0.00 0.00 178.00 179.84 1xkl h LYS 154 N 0.93 0.33 -0.69 0.86 6.56 -1.94 -2.11 116.57 120.51 1xkl h LYS 154 Ca 0.24 -0.10 -0.00 0.00 -1.06 0.00 0.00 60.65 59.73 1xkl h LYS 154 Cb -0.04 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.55 1xkl h LYS 154 CO -0.05 0.52 0.42 0.35 -2.06 0.00 0.00 179.45 178.63 1xkl h PHE 155 N 0.09 0.90 -0.61 -1.35 3.04 -1.80 0.27 116.94 117.48 1xkl h PHE 155 Ca 0.05 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1xkl h PHE 155 Cb 0.37 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 1xkl h PHE 155 CO 0.03 0.61 0.28 -0.07 -2.02 0.00 0.00 178.31 177.14 1xkl h LEU 156 N 0.94 0.80 -0.15 0.59 3.38 -1.27 0.36 115.31 119.97 1xkl h LEU 156 Ca 0.25 -0.14 -0.23 0.00 0.09 0.00 0.00 57.88 57.85 1xkl h LEU 156 Cb -0.04 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.52 1xkl h LEU 156 CO -0.05 0.72 -0.89 0.00 0.09 0.00 0.00 178.44 178.31 1xkl h ALA 157 N 1.12 0.30 0.10 1.53 0.00 -1.12 0.80 119.26 122.00 1xkl h ALA 157 Ca 0.21 -0.66 -0.34 0.00 0.00 0.00 0.00 54.91 54.12 1xkl h ALA 157 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xkl h ALA 157 CO -0.02 0.72 -1.87 0.45 0.00 0.00 0.00 179.25 178.53 1xkl h HIS 158 N 0.39 0.38 0.00 0.00 3.86 -0.94 -2.62 115.15 116.22 1xkl h HIS 158 Ca -0.08 -0.28 -0.19 0.00 -1.16 0.00 0.00 60.37 58.66 1xkl h HIS 158 Cb 1.52 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.94 1xkl h HIS 158 CO 0.08 1.56 -2.10 1.63 0.86 0.00 0.00 177.93 179.96 1xkl n LYS 159 N -3.38 0.84 -0.03 2.45 4.76 0.11 -4.50 118.16 118.39 1xkl n LYS 159 Ca -0.26 -0.08 -0.04 0.00 -2.87 0.00 0.00 58.31 55.05 1xkl n LYS 159 Cb 1.05 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 32.73 1xkl n LYS 159 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xkl n LEU 160 N -2.46 1.03 -0.36 -0.35 4.32 -1.02 0.00 117.00 118.16 1xkl n LEU 160 Ca -0.18 -0.01 0.09 0.00 -0.02 0.00 0.00 56.01 55.88 1xkl n LEU 160 Cb 0.84 0.01 0.18 0.00 -1.62 0.00 0.00 43.42 42.82 1xkl n LEU 160 CO 0.40 0.31 0.61 -1.22 -1.22 0.00 0.00 177.39 176.27 1xkl n TYR 161 N -2.40 0.30 0.19 -1.77 4.02 0.28 -3.47 117.16 114.31 1xkl n TYR 161 Ca -0.11 -1.00 0.18 0.00 -0.01 0.00 0.00 57.90 56.97 1xkl n TYR 161 Cb 0.68 -0.21 0.80 0.00 -0.02 0.00 0.00 39.34 40.59 1xkl n TYR 161 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1xkl h GLN 162 N 0.59 0.00 -0.24 -0.72 -0.00 -1.67 0.31 115.11 113.38 1xkl h GLN 162 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1xkl h GLN 162 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.63 1xkl h GLN 162 CO 0.07 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.18 1xkl n LEU 163 N -3.51 2.58 -4.95 0.06 4.77 -1.26 -5.01 117.00 109.68 1xkl n LEU 163 Ca 0.03 -1.79 -0.23 0.00 -0.03 0.00 0.00 56.01 53.98 1xkl n LEU 163 Cb 0.47 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1xkl n LEU 163 CO 0.24 0.62 0.26 0.00 -1.33 0.00 0.00 177.39 177.19 1xkl s SER 165 N -4.16 4.91 0.54 0.00 1.04 -1.26 -4.88 113.70 109.89 1xkl s SER 165 Ca 0.46 1.81 0.24 0.00 0.48 0.00 0.00 55.95 58.94 1xkl s SER 165 Cb -0.10 -2.52 1.51 0.00 0.10 0.00 0.00 66.02 65.01 1xkl s SER 165 CO 0.38 -1.76 2.16 1.55 0.98 0.00 0.00 173.24 176.55 1xkl h PRO 166 N -0.70 0.00 -0.28 4.02 0.13 -1.98 -1.66 132.00 131.54 1xkl h PRO 166 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1xkl h PRO 166 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xkl h PRO 166 CO 0.54 0.05 -0.25 0.93 -0.23 0.00 0.00 178.00 179.04 1xkl h GLU 167 N 0.00 0.65 -0.50 0.86 3.07 -1.99 -1.56 114.58 115.11 1xkl h GLU 167 Ca -0.00 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.36 58.48 1xkl h GLU 167 Cb 0.12 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1xkl h GLU 167 CO 0.01 0.94 0.12 -0.44 -1.40 0.00 0.00 179.01 178.23 1xkl h ASP 168 N 0.39 0.70 -0.43 1.42 3.45 -1.68 -0.93 116.42 119.34 1xkl h ASP 168 Ca 0.05 -0.12 -0.12 0.00 0.43 0.00 0.00 57.03 57.27 1xkl h ASP 168 Cb 0.80 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.38 1xkl h ASP 168 CO 0.06 0.70 -0.21 0.25 -1.57 0.00 0.00 179.24 178.47 1xkl h LEU 169 N 0.73 0.93 -0.78 1.55 5.85 -1.29 -1.34 115.31 120.97 1xkl h LEU 169 Ca 0.16 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 1xkl h LEU 169 Cb 0.27 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1xkl h LEU 169 CO -0.00 1.13 0.30 0.00 -0.34 0.00 0.00 178.44 179.53 1xkl h ALA 170 N 0.83 1.01 0.23 1.25 0.00 -0.88 0.05 119.26 121.75 1xkl h ALA 170 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xkl h ALA 170 Cb 0.78 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xkl h ALA 170 CO 0.06 0.64 -0.11 1.25 0.00 0.00 0.00 179.25 181.09 1xkl h LEU 171 N 1.13 -0.27 -0.94 0.00 5.85 -0.98 -2.59 115.31 117.51 1xkl h LEU 171 Ca 0.26 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1xkl h LEU 171 Cb 0.22 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1xkl h LEU 171 CO -0.02 -0.07 0.61 0.00 -0.34 0.00 0.00 178.44 178.63 1xkl h ALA 172 N 0.28 1.21 0.00 1.25 0.00 -1.08 -2.18 119.26 118.74 1xkl h ALA 172 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1xkl h ALA 172 Cb 0.34 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xkl h ALA 172 CO 0.05 0.53 -0.09 0.77 0.00 0.00 0.00 179.25 180.50 1xkl h SER 173 N 1.22 0.00 0.02 0.00 0.02 -0.84 0.11 113.55 114.07 1xkl h SER 173 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1xkl h SER 173 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1xkl h SER 173 CO -0.10 0.09 -0.15 -1.54 -1.14 0.00 0.00 176.83 174.00 1xkl n SER 174 N -3.80 2.09 0.00 3.07 3.41 -0.86 -4.43 113.62 113.10 1xkl n SER 174 Ca -0.02 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 1xkl n SER 174 Cb 0.19 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1xkl n SER 174 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xkl n LEU 175 N 0.43 0.00 -4.76 1.04 4.77 -0.74 -5.06 117.00 112.68 1xkl n LEU 175 Ca 0.14 -0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 1xkl n LEU 175 Cb 0.47 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1xkl n LEU 175 CO 0.20 0.00 1.13 1.33 -1.33 0.00 0.00 177.39 178.72 1xkl n VAL 176 N -1.21 1.82 -4.27 4.08 0.24 0.30 -4.77 118.33 114.52 1xkl n VAL 176 Ca 0.00 -0.46 -0.15 0.00 -2.04 0.00 0.00 64.34 61.70 1xkl n VAL 176 Cb 0.00 -1.93 -0.10 0.00 -1.47 0.00 0.00 33.84 30.34 1xkl n VAL 176 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1xkl s ARG 177 N -1.79 1.12 0.50 7.34 0.52 -0.98 -5.04 118.95 120.61 1xkl s ARG 177 Ca 0.55 -1.49 -0.24 0.00 -0.52 0.00 0.00 55.73 54.04 1xkl s ARG 177 Cb -0.49 -0.68 -0.07 0.00 0.52 0.00 0.00 34.95 34.23 1xkl s ARG 177 CO 0.61 0.07 1.41 -0.35 0.02 0.00 0.00 175.30 177.06 1xkl n PRO 178 N -0.24 2.01 0.00 3.54 -0.04 -1.26 -4.07 135.00 134.95 1xkl n PRO 178 Ca -0.10 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1xkl n PRO 178 Cb 0.61 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1xkl n PRO 178 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xkl n SER 179 N -0.58 0.08 -3.61 3.54 2.88 -1.26 -4.75 113.62 109.92 1xkl n SER 179 Ca 0.08 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.53 1xkl n SER 179 Cb 0.43 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 1xkl n SER 179 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xkl s SER 180 N 1.00 -0.34 0.09 -3.46 0.15 -1.26 -4.38 113.70 105.50 1xkl s SER 180 Ca 0.00 0.50 0.26 0.00 0.70 0.00 0.00 55.95 57.41 1xkl s SER 180 Cb 0.00 0.45 0.70 0.00 -1.71 0.00 0.00 66.02 65.46 1xkl s SER 180 CO 0.00 -0.22 1.59 0.18 1.20 0.00 0.00 173.24 175.99 1xkl n LEU 181 N 1.30 0.53 -2.46 3.45 4.77 -1.26 -5.01 117.00 118.32 1xkl n LEU 181 Ca -0.10 0.33 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 1xkl n LEU 181 Cb 0.57 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1xkl n LEU 181 CO 0.09 -0.04 -0.37 0.49 -1.33 0.00 0.00 177.39 176.24 1xkl n PHE 182 N -1.89 -3.04 0.00 -1.77 3.72 -1.26 -4.92 117.46 108.30 1xkl n PHE 182 Ca 0.05 1.79 0.00 0.00 -0.05 0.00 0.00 57.45 59.24 1xkl n PHE 182 Cb 0.39 -2.86 0.00 0.00 -0.94 0.00 0.00 39.48 36.08 1xkl n PHE 182 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1xkl n GLU 184 N 1.96 0.00 -0.11 -1.08 4.07 -1.26 -1.47 120.64 122.74 1xkl n GLU 184 Ca -0.12 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 56.94 1xkl n GLU 184 Cb 0.18 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 31.72 1xkl n GLU 184 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1xkl h ASP 185 N 0.00 0.76 1.24 4.31 3.58 -1.91 -2.86 116.42 121.54 1xkl h ASP 185 Ca 0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1xkl h ASP 185 Cb 0.00 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.85 1xkl h ASP 185 CO 0.00 0.82 0.00 -0.07 -2.88 0.00 0.00 179.24 177.11 1xkl h LEU 186 N 0.74 0.00 0.00 2.28 3.38 -1.61 -3.09 115.31 117.01 1xkl h LEU 186 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xkl h LEU 186 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xkl h LEU 186 CO 0.02 0.00 -0.22 -1.54 0.09 0.00 0.00 178.44 176.78 1xkl n SER 187 N -2.36 0.58 -0.05 -0.43 3.41 -1.08 -2.92 113.62 110.77 1xkl n SER 187 Ca 0.04 0.34 0.15 0.00 -0.26 0.00 0.00 58.87 59.15 1xkl n SER 187 Cb 0.36 -0.36 0.84 0.00 -0.26 0.00 0.00 64.21 64.79 1xkl n SER 187 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xkl n LYS 188 N -1.98 0.88 0.00 4.33 5.02 -1.17 -4.95 118.16 120.29 1xkl n LYS 188 Ca 0.05 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1xkl n LYS 188 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1xkl n LYS 188 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xkl n ALA 189 N -0.98 0.00 0.00 7.82 0.00 -1.22 -5.12 120.51 121.01 1xkl n ALA 189 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1xkl n ALA 189 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1xkl n ALA 189 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xkl n TYR 191 N 0.00 0.00 -5.12 0.00 4.02 -1.26 -1.80 117.16 112.99 1xkl n TYR 191 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 1xkl n TYR 191 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.16 1xkl n TYR 191 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1xkl s PHE 192 N 0.00 2.59 0.22 -0.72 0.08 -1.26 -4.94 117.98 113.94 1xkl s PHE 192 Ca 0.00 -0.84 0.08 0.00 0.12 0.00 0.00 56.93 56.29 1xkl s PHE 192 Cb 0.00 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1xkl s PHE 192 CO 0.00 -0.30 0.02 0.95 -0.10 0.00 0.00 175.22 175.79 1xkl s THR 193 N 0.17 3.67 0.13 0.64 -4.23 -1.26 -4.29 115.64 110.47 1xkl s THR 193 Ca -0.12 -1.62 -0.17 0.00 -1.18 0.00 0.00 61.69 58.60 1xkl s THR 193 Cb -0.16 -2.91 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 1xkl s THR 193 CO 0.07 -0.24 1.73 0.44 -0.54 0.00 0.00 174.62 176.08 1xkl h ASP 194 N 2.27 0.43 -0.54 3.99 3.32 -1.95 -0.98 116.42 122.95 1xkl h ASP 194 Ca -0.46 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 56.56 1xkl h ASP 194 Cb 1.22 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 1xkl h ASP 194 CO 0.59 0.40 0.36 -0.08 -1.72 0.00 0.00 179.24 178.79 1xkl h GLU 195 N 0.42 0.47 0.00 3.56 4.81 -1.96 -2.49 114.58 119.39 1xkl h GLU 195 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1xkl h GLU 195 Cb 0.07 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1xkl h GLU 195 CO -0.02 0.31 -0.14 0.54 -0.73 0.00 0.00 179.01 178.97 1xkl n ARG 196 N -4.47 0.07 -0.17 1.92 1.74 -1.17 -4.49 116.66 110.09 1xkl n ARG 196 Ca 0.07 0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.12 1xkl n ARG 196 Cb 0.25 -0.46 0.03 0.00 -1.02 0.00 0.00 32.46 31.25 1xkl n ARG 196 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1xkl h PHE 197 N -0.14 0.60 0.00 -1.55 3.57 -1.41 -2.53 116.94 115.49 1xkl h PHE 197 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1xkl h PHE 197 Cb 0.14 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1xkl h PHE 197 CO -0.06 0.36 0.00 0.41 -2.23 0.00 0.00 178.31 176.79 1xkl n GLY 198 N -1.24 -0.58 0.13 2.40 0.00 -0.65 -2.54 105.19 102.71 1xkl n GLY 198 Ca 0.03 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.05 1xkl n GLY 198 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xkl n SER 199 N -0.99 1.04 -4.74 1.61 3.41 -0.95 -4.89 113.62 108.11 1xkl n SER 199 Ca 0.14 -0.86 -0.37 0.00 -0.26 0.00 0.00 58.87 57.52 1xkl n SER 199 Cb 0.06 0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 1xkl n SER 199 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xkl s VAL 200 N -2.83 5.21 0.25 -3.33 1.01 -1.05 -5.04 120.40 114.61 1xkl s VAL 200 Ca 0.13 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 1xkl s VAL 200 Cb 0.17 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 1xkl s VAL 200 CO 0.71 0.37 1.46 -0.54 0.00 0.00 0.00 175.10 177.10 1xkl s LYS 201 N 0.39 4.25 -0.13 2.72 1.02 -1.26 -4.88 119.74 121.85 1xkl s LYS 201 Ca 0.23 2.32 -0.01 0.00 0.02 0.00 0.00 55.97 58.53 1xkl s LYS 201 Cb -0.15 -3.11 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 1xkl s LYS 201 CO 0.08 -0.45 -0.10 1.03 -0.92 0.00 0.00 175.35 175.00 1xkl s ARG 202 N -0.31 3.41 -0.12 1.68 0.52 -1.26 -1.06 118.95 121.81 1xkl s ARG 202 Ca 0.60 -0.63 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 1xkl s ARG 202 Cb -0.42 -2.70 0.01 0.00 0.52 0.00 0.00 34.95 32.36 1xkl s ARG 202 CO 0.43 0.26 -0.17 0.08 0.02 0.00 0.00 175.30 175.92 1xkl s VAL 203 N 0.26 1.62 -0.15 3.52 1.01 0.09 0.59 120.40 127.34 1xkl s VAL 203 Ca -0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1xkl s VAL 203 Cb -0.15 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1xkl s VAL 203 CO 0.05 0.47 -0.01 -0.47 0.00 0.00 0.00 175.10 175.13 1xkl s TYR 204 N 1.00 3.08 -0.27 5.22 6.14 -0.65 0.05 117.35 131.92 1xkl s TYR 204 Ca -0.06 -0.16 -0.06 0.00 0.64 0.00 0.00 57.07 57.43 1xkl s TYR 204 Cb -0.15 -1.96 -0.00 0.00 0.42 0.00 0.00 41.96 40.27 1xkl s TYR 204 CO -0.03 0.07 0.05 0.42 0.64 0.00 0.00 175.55 176.70 1xkl s ILE 205 N 0.20 3.91 0.05 3.14 1.01 0.28 -0.34 121.20 129.45 1xkl s ILE 205 Ca -0.01 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 59.90 1xkl s ILE 205 Cb -0.13 -2.94 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 1xkl s ILE 205 CO 0.02 0.19 0.53 -0.69 0.00 0.00 0.00 174.94 174.99 1xkl s VAL 206 N 1.52 4.81 -0.51 2.92 1.01 0.10 -2.02 120.40 128.24 1xkl s VAL 206 Ca 0.04 1.12 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 1xkl s VAL 206 Cb -0.16 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.50 1xkl s VAL 206 CO 0.02 0.56 0.30 0.00 0.00 0.00 0.00 175.10 175.97 1xkl h THR 208 N 5.84 0.21 -0.67 0.00 1.35 -1.66 0.80 112.91 118.77 1xkl h THR 208 Ca -0.07 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1xkl h THR 208 Cb 0.99 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1xkl h THR 208 CO 0.69 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 175.37 1xkl n GLU 209 N -4.79 3.62 -1.76 4.72 -0.58 -0.60 -4.60 120.64 116.65 1xkl n GLU 209 Ca 0.34 -2.85 -0.42 0.00 -0.42 0.00 0.00 57.16 53.81 1xkl n GLU 209 Cb 1.25 -1.86 -0.03 0.00 -0.57 0.00 0.00 31.44 30.23 1xkl n GLU 209 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1xkl s ASP 210 N -0.90 6.41 -0.00 1.62 -1.08 0.27 -4.58 116.67 118.41 1xkl s ASP 210 Ca 0.51 2.82 0.06 0.00 -0.52 0.00 0.00 52.55 55.42 1xkl s ASP 210 Cb 0.32 -2.60 -0.07 0.00 -1.46 0.00 0.00 42.92 39.11 1xkl s ASP 210 CO 0.26 -0.95 0.19 0.29 0.52 0.00 0.00 175.17 175.48 1xkl n LYS 211 N 4.02 2.81 -0.05 4.34 5.02 -1.22 -3.66 118.16 129.42 1xkl n LYS 211 Ca 0.16 -0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 1xkl n LYS 211 Cb 0.36 -0.94 -0.12 0.00 -0.02 0.00 0.00 35.03 34.31 1xkl n LYS 211 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1xkl h GLY 212 N 1.20 0.02 -7.00 0.72 0.00 -0.77 -3.38 103.07 93.86 1xkl h GLY 212 Ca 0.00 -0.05 -0.62 0.00 0.00 0.00 0.00 47.33 46.67 1xkl h GLY 212 CO 0.00 0.04 -0.69 -0.42 0.00 0.00 0.00 176.54 175.47 1xkl s ILE 213 N -2.87 2.03 0.57 2.60 1.01 -1.26 -5.07 121.20 118.21 1xkl s ILE 213 Ca -0.18 -3.38 -0.18 0.00 0.00 0.00 0.00 60.65 56.91 1xkl s ILE 213 Cb -0.01 -2.38 -0.14 0.00 0.01 0.00 0.00 42.46 39.94 1xkl s ILE 213 CO 0.69 -0.97 -0.09 -0.81 0.00 0.00 0.00 174.94 173.76 1xkl n PRO 214 N 2.74 0.07 -0.35 2.79 -0.04 -1.24 -4.68 135.00 134.29 1xkl n PRO 214 Ca 0.16 0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.67 1xkl n PRO 214 Cb 0.36 -1.12 0.19 0.00 -0.04 0.00 0.00 33.50 32.90 1xkl n PRO 214 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1xkl h GLU 215 N -0.09 1.11 -0.68 0.54 4.81 -1.79 -1.40 114.58 117.07 1xkl h GLU 215 Ca -0.42 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1xkl h GLU 215 Cb 1.42 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1xkl h GLU 215 CO 0.41 0.73 0.45 1.05 -0.73 0.00 0.00 179.01 180.92 1xkl h GLU 216 N 1.14 0.84 -0.06 1.92 9.09 -1.92 0.43 114.58 126.01 1xkl h GLU 216 Ca 0.42 -0.05 -0.18 0.00 0.05 0.00 0.00 59.36 59.60 1xkl h GLU 216 Cb 0.18 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 27.08 1xkl h GLU 216 CO -0.17 0.55 -0.75 0.35 0.05 0.00 0.00 179.01 179.05 1xkl h PHE 217 N 0.86 0.48 -0.61 2.06 3.57 -1.59 -1.66 116.94 120.05 1xkl h PHE 217 Ca 0.26 -0.22 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1xkl h PHE 217 Cb -0.01 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1xkl h PHE 217 CO -0.00 0.97 0.02 1.96 -2.23 0.00 0.00 178.31 179.03 1xkl h GLN 218 N 0.23 1.07 -0.33 1.11 4.20 -0.73 -1.92 115.11 118.74 1xkl h GLN 218 Ca -0.03 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.32 1xkl h GLN 218 Cb 1.33 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1xkl h GLN 218 CO 0.12 1.04 0.10 0.00 -0.67 0.00 0.00 178.83 179.43 1xkl h ARG 219 N 0.97 0.51 -0.81 1.46 2.47 -0.90 -2.18 114.38 115.90 1xkl h ARG 219 Ca 0.18 -0.11 0.14 0.00 -1.26 0.00 0.00 59.98 58.92 1xkl h ARG 219 Cb 0.54 -0.07 -0.09 0.00 -1.65 0.00 0.00 29.97 28.70 1xkl h ARG 219 CO 0.03 0.54 0.39 2.35 0.56 0.00 0.00 179.97 183.84 1xkl h TRP 220 N 0.38 0.68 -0.32 3.04 7.01 -1.00 0.95 115.95 126.69 1xkl h TRP 220 Ca 0.11 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.04 1xkl h TRP 220 Cb 0.25 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 1xkl h TRP 220 CO 0.01 0.16 -0.20 1.96 -2.79 0.00 0.00 178.44 177.58 1xkl h GLN 221 N 0.57 0.60 -0.31 2.65 4.20 -1.02 0.15 115.11 121.96 1xkl h GLN 221 Ca 0.44 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.84 1xkl h GLN 221 Cb 0.61 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1xkl h GLN 221 CO -0.36 0.77 -0.14 0.82 -0.67 0.00 0.00 178.83 179.25 1xkl h ILE 222 N 0.54 1.29 -0.01 2.54 2.04 -0.43 0.13 117.51 123.62 1xkl h ILE 222 Ca 0.08 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 1xkl h ILE 222 Cb 0.64 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1xkl h ILE 222 CO 0.05 0.40 -0.00 0.44 0.00 0.00 0.00 178.15 179.03 1xkl h ASP 223 N 0.41 0.01 0.19 1.72 3.45 -0.73 -1.91 116.42 119.57 1xkl h ASP 223 Ca 0.07 -0.47 -0.30 0.00 0.43 0.00 0.00 57.03 56.76 1xkl h ASP 223 Cb 0.66 -0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.45 1xkl h ASP 223 CO 0.04 0.48 -1.37 0.78 -1.57 0.00 0.00 179.24 177.60 1xkl h ASN 224 N -0.46 0.63 0.56 6.45 4.21 -0.77 -3.37 115.58 122.84 1xkl h ASN 224 Ca 0.00 -0.92 -0.28 0.00 1.21 0.00 0.00 56.30 56.30 1xkl h ASN 224 Cb 0.48 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 1xkl h ASN 224 CO 0.00 1.64 -1.48 0.40 -1.29 0.00 0.00 177.43 176.70 1xkl h ILE 225 N -0.06 1.18 0.00 2.81 1.08 -0.91 -3.51 117.51 118.10 1xkl h ILE 225 Ca -0.26 -2.89 0.00 0.00 -0.39 0.00 0.00 64.86 61.32 1xkl h ILE 225 Cb 1.96 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 38.40 1xkl h ILE 225 CO 0.19 0.78 0.00 0.61 -0.69 0.00 0.00 178.15 179.04 1xkl n GLY 226 N 1.59 -2.23 3.18 5.37 0.00 -0.72 -5.02 105.19 107.37 1xkl n GLY 226 Ca -0.14 -1.29 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 1xkl n GLY 226 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xkl s VAL 227 N -2.86 0.15 0.16 1.61 -7.23 -1.26 -4.92 120.40 106.06 1xkl s VAL 227 Ca 0.00 -1.40 0.12 0.00 -1.81 0.00 0.00 61.98 58.89 1xkl s VAL 227 Cb 0.00 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 1xkl s VAL 227 CO 0.00 -0.70 1.54 0.74 -0.31 0.00 0.00 175.10 176.37 1xkl h THR 228 N 2.84 1.32 -1.78 5.32 2.02 -0.22 -3.46 112.91 118.95 1xkl h THR 228 Ca -0.34 -2.32 0.01 0.00 0.77 0.00 0.00 66.41 64.53 1xkl h THR 228 Cb 1.19 2.30 -0.22 0.00 -1.74 0.00 0.00 68.15 69.68 1xkl h THR 228 CO 0.58 0.63 0.35 -0.70 0.37 0.00 0.00 175.52 176.75 1xkl s GLU 229 N -3.31 0.76 -0.11 6.66 2.12 -1.07 -5.01 118.70 118.73 1xkl s GLU 229 Ca 0.00 0.43 0.03 0.00 0.36 0.00 0.00 54.97 55.78 1xkl s GLU 229 Cb 0.11 0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.87 1xkl s GLU 229 CO 0.76 -0.19 -0.19 0.00 -0.54 0.00 0.00 175.26 175.10 1xkl s ALA 230 N -0.59 1.96 0.30 6.30 0.00 -1.26 -1.63 121.76 126.85 1xkl s ALA 230 Ca -0.03 -0.89 0.11 0.00 0.00 0.00 0.00 51.96 51.15 1xkl s ALA 230 Cb -0.02 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 1xkl s ALA 230 CO 0.02 0.04 -0.16 0.42 0.00 0.00 0.00 175.76 176.08 1xkl s ILE 231 N 0.75 2.38 -0.01 0.00 -1.09 0.54 -4.98 121.20 118.79 1xkl s ILE 231 Ca -0.10 -2.34 -0.04 0.00 -2.23 0.00 0.00 60.65 55.94 1xkl s ILE 231 Cb -0.16 -2.41 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 1xkl s ILE 231 CO 0.01 -0.34 0.08 -1.83 -1.23 0.00 0.00 174.94 171.64 1xkl s GLU 232 N -3.55 0.29 -0.39 2.79 -1.05 -1.26 0.01 118.70 115.55 1xkl s GLU 232 Ca 0.31 -0.22 -0.01 0.00 -0.15 0.00 0.00 54.97 54.90 1xkl s GLU 232 Cb -0.02 0.12 0.11 0.00 -0.44 0.00 0.00 34.13 33.89 1xkl s GLU 232 CO 0.15 -0.06 0.16 0.42 0.95 0.00 0.00 175.26 176.88 1xkl s ILE 233 N -0.79 2.96 0.36 1.83 1.01 0.74 -4.89 121.20 122.43 1xkl s ILE 233 Ca -0.09 -2.15 -0.28 0.00 0.00 0.00 0.00 60.65 58.13 1xkl s ILE 233 Cb -0.05 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.24 1xkl s ILE 233 CO 0.00 -0.66 1.32 -0.75 0.00 0.00 0.00 174.94 174.85 1xkl s LYS 234 N 1.06 4.22 0.00 2.79 2.36 -1.26 -2.83 119.74 126.08 1xkl s LYS 234 Ca 0.09 2.22 0.00 0.00 -2.55 0.00 0.00 55.97 55.73 1xkl s LYS 234 Cb -0.22 -2.96 0.00 0.00 -1.05 0.00 0.00 37.83 33.60 1xkl s LYS 234 CO -0.05 -0.30 0.00 0.41 1.55 0.00 0.00 175.35 176.95 1xkl n GLY 235 N 0.73 0.70 3.84 5.54 0.00 -1.26 -4.97 105.19 109.76 1xkl n GLY 235 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1xkl n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkl s ALA 236 N -2.81 3.79 0.50 4.61 0.00 -1.13 -4.84 121.76 121.88 1xkl s ALA 236 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1xkl s ALA 236 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1xkl s ALA 236 CO 0.00 0.49 0.00 -0.40 0.00 0.00 0.00 175.76 175.85 1xkl n ASP 237 N 2.25 0.00 -2.32 0.00 5.68 -1.26 -1.55 116.55 119.35 1xkl n ASP 237 Ca -0.17 -0.28 -0.00 0.00 -0.50 0.00 0.00 54.79 53.84 1xkl n ASP 237 Cb 0.54 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1xkl n ASP 237 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1xkl n HIS 238 N -0.42 0.00 0.00 2.11 -0.00 -1.23 -4.59 115.22 111.09 1xkl n HIS 238 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1xkl n HIS 238 Cb 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 29.99 29.64 1xkl n HIS 238 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xkl n ALA 240 N 2.64 0.00 0.00 1.57 0.00 -1.26 -4.93 120.51 118.53 1xkl n ALA 240 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xkl n ALA 240 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xkl n ALA 240 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xkl n LEU 242 N 0.00 0.00 0.12 0.00 4.77 -1.26 -0.68 117.00 119.94 1xkl n LEU 242 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1xkl n LEU 242 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1xkl n LEU 242 CO 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 177.39 176.21 1xkl n GLU 244 N -2.84 1.10 -0.34 0.00 -0.58 0.14 -4.98 120.64 113.14 1xkl n GLU 244 Ca -0.01 -3.09 0.02 0.00 -0.42 0.00 0.00 57.16 53.66 1xkl n GLU 244 Cb 0.62 -1.24 0.16 0.00 -0.57 0.00 0.00 31.44 30.41 1xkl n GLU 244 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1xkl h PRO 245 N 2.90 1.03 -0.48 3.49 0.13 -1.75 -1.55 132.00 135.78 1xkl h PRO 245 Ca -0.07 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.89 1xkl h PRO 245 Cb 1.13 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1xkl h PRO 245 CO 0.43 0.68 -0.13 1.96 -0.23 0.00 0.00 178.00 180.71 1xkl h GLN 246 N 1.06 0.94 -0.20 0.86 4.20 -1.91 0.38 115.11 120.45 1xkl h GLN 246 Ca 0.41 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1xkl h GLN 246 Cb 0.19 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1xkl h GLN 246 CO -0.18 1.03 0.10 0.87 -0.67 0.00 0.00 178.83 179.98 1xkl h LYS 247 N 0.79 0.29 -0.70 1.46 1.57 -1.88 -1.59 116.57 116.51 1xkl h LYS 247 Ca 0.12 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1xkl h LYS 247 Cb 0.69 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 1xkl h LYS 247 CO 0.05 0.32 0.41 1.25 -0.57 0.00 0.00 179.45 180.91 1xkl h LEU 248 N 0.19 0.65 -0.29 2.94 5.85 -1.11 -1.28 115.31 122.27 1xkl h LEU 248 Ca 0.07 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1xkl h LEU 248 Cb 0.12 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1xkl h LEU 248 CO -0.01 0.43 0.14 0.00 -0.34 0.00 0.00 178.44 178.66 1xkl h ALA 250 N 1.15 0.52 -0.02 0.00 0.00 -0.69 0.03 119.26 120.26 1xkl h ALA 250 Ca 0.12 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1xkl h ALA 250 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xkl h ALA 250 CO -0.09 -0.18 -0.07 0.77 0.00 0.00 0.00 179.25 179.69 1xkl h SER 251 N 0.39 -0.19 -0.84 0.00 0.02 -0.91 -1.18 113.55 110.83 1xkl h SER 251 Ca 0.19 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1xkl h SER 251 Cb 0.12 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 1xkl h SER 251 CO -0.15 -0.10 0.53 -0.07 -1.14 0.00 0.00 176.83 175.91 1xkl h LEU 252 N -0.11 0.88 -1.03 5.07 3.38 -0.58 -0.83 115.31 122.09 1xkl h LEU 252 Ca 0.03 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1xkl h LEU 252 Cb 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1xkl h LEU 252 CO -0.08 0.60 -0.15 -0.07 0.09 0.00 0.00 178.44 178.83 1xkl h LEU 253 N 1.03 0.51 -0.59 1.67 3.38 -0.79 -0.37 115.31 120.15 1xkl h LEU 253 Ca 0.34 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1xkl h LEU 253 Cb 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1xkl h LEU 253 CO -0.12 0.68 -0.19 -0.08 0.09 0.00 0.00 178.44 178.82 1xkl h GLU 254 N 0.47 0.92 -0.49 1.13 4.81 -0.31 -1.66 114.58 119.46 1xkl h GLU 254 Ca 0.08 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1xkl h GLU 254 Cb 0.54 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1xkl h GLU 254 CO 0.03 1.03 0.20 0.82 -0.73 0.00 0.00 179.01 180.36 1xkl h ILE 255 N 0.81 1.21 -0.81 2.32 2.04 -0.62 -1.16 117.51 121.29 1xkl h ILE 255 Ca 0.11 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1xkl h ILE 255 Cb 0.74 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1xkl h ILE 255 CO 0.06 0.24 0.46 0.00 0.00 0.00 0.00 178.15 178.91 1xkl h ALA 256 N 1.05 1.29 -0.23 1.87 0.00 -0.85 0.77 119.26 123.16 1xkl h ALA 256 Ca 0.16 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1xkl h ALA 256 Cb 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xkl h ALA 256 CO -0.01 0.59 -0.57 1.25 0.00 0.00 0.00 179.25 180.51 1xkl h HIS 257 N 1.12 1.02 0.30 0.00 -0.00 -1.02 -3.36 115.15 113.21 1xkl h HIS 257 Ca 0.29 -0.39 -0.01 0.00 -0.00 0.00 0.00 60.37 60.25 1xkl h HIS 257 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 1xkl h HIS 257 CO 0.01 1.21 -0.15 -0.22 -0.00 0.00 0.00 177.93 178.78 1xkl h LYS 258 N 0.54 -0.39 -3.31 5.26 3.64 -0.97 -3.34 116.57 118.00 1xkl h LYS 258 Ca -0.01 0.03 -0.69 0.00 -1.27 0.00 0.00 60.65 58.71 1xkl h LYS 258 Cb 1.19 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1xkl h LYS 258 CO 0.12 -0.11 3.54 0.66 -2.27 0.00 0.00 179.45 181.39 1xkl n TYR 259 N -5.05 2.79 1.71 1.91 4.02 0.24 -5.10 117.16 117.69 1xkl n TYR 259 Ca -0.07 -3.04 0.15 0.00 -0.01 0.00 0.00 57.90 54.92 1xkl n TYR 259 Cb 0.23 -2.48 0.71 0.00 -0.02 0.00 0.00 39.34 37.78 1xkl n TYR 259 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94