#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 -3.70 3.86 8.31 0.00 -1.26 -5.03 105.19 107.37 1xkl n GLY 4 Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 1xkl n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xkl s LYS 5 N -4.75 2.36 -0.34 1.61 0.00 -1.26 -4.89 119.74 112.47 1xkl s LYS 5 Ca 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 55.97 54.10 1xkl s LYS 5 Cb 0.00 -2.19 0.02 0.00 0.00 0.00 0.00 37.83 35.66 1xkl s LYS 5 CO 0.00 -0.36 0.14 -1.58 0.00 0.00 0.00 175.35 173.56 1xkl s HIS 6 N -2.62 3.22 -0.19 1.78 5.65 -1.26 -0.32 115.29 121.55 1xkl s HIS 6 Ca 0.41 -1.08 -0.16 0.00 0.25 0.00 0.00 55.06 54.49 1xkl s HIS 6 Cb -0.01 -2.34 -0.04 0.00 -1.18 0.00 0.00 32.58 29.01 1xkl s HIS 6 CO 0.24 -0.64 0.39 -0.06 -0.65 0.00 0.00 174.74 174.02 1xkl s PHE 7 N 1.50 3.39 -0.30 3.88 0.08 0.21 -1.26 117.98 125.47 1xkl s PHE 7 Ca 0.01 0.62 -0.05 0.00 0.12 0.00 0.00 56.93 57.63 1xkl s PHE 7 Cb -0.19 -2.51 0.03 0.00 -0.57 0.00 0.00 43.02 39.78 1xkl s PHE 7 CO 0.04 0.02 0.05 0.08 -0.10 0.00 0.00 175.22 175.31 1xkl s VAL 8 N 1.21 3.53 -0.22 -0.44 1.01 -0.06 -1.02 120.40 124.41 1xkl s VAL 8 Ca 0.19 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1xkl s VAL 8 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1xkl s VAL 8 CO 0.08 -0.01 0.30 -0.76 0.00 0.00 0.00 175.10 174.71 1xkl s LEU 9 N 1.39 4.14 -0.26 3.92 1.43 -0.28 -1.03 118.68 127.98 1xkl s LEU 9 Ca -0.01 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1xkl s LEU 9 Cb -0.18 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.74 1xkl s LEU 9 CO 0.01 -0.02 -0.08 -0.69 0.23 0.00 0.00 176.35 175.80 1xkl s VAL 10 N 1.22 2.51 1.02 -1.59 1.01 0.58 -3.64 120.40 121.50 1xkl s VAL 10 Ca 0.14 -1.42 -0.12 0.00 0.00 0.00 0.00 61.98 60.59 1xkl s VAL 10 Cb -0.14 -2.40 0.20 0.00 0.00 0.00 0.00 36.38 34.04 1xkl s VAL 10 CO 0.06 0.03 1.08 -1.38 0.00 0.00 0.00 175.10 174.89 1xkl s HIS 11 N 1.19 1.72 0.00 5.22 -3.43 -1.26 -1.12 115.29 117.61 1xkl s HIS 11 Ca -0.05 1.34 0.00 0.00 -0.80 0.00 0.00 55.06 55.55 1xkl s HIS 11 Cb -0.19 -3.18 0.00 0.00 -1.43 0.00 0.00 32.58 27.78 1xkl s HIS 11 CO -0.04 -3.17 0.00 0.41 -2.00 0.00 0.00 174.74 169.94 1xkl n GLY 12 N 0.03 0.87 3.77 -1.38 0.00 -1.15 -3.45 105.19 103.88 1xkl n GLY 12 Ca 0.06 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.70 3.25 0.00 4.61 0.00 -1.26 -2.65 121.76 123.01 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 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1xkl s ALA 13 CO 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 175.76 174.98 1xkl n HIS 15 N -2.24 -0.28 -3.51 0.00 -0.00 -1.08 -2.48 115.22 105.62 1xkl n HIS 15 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 1xkl n HIS 15 Cb 0.19 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.20 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 5.00 1.31 0.33 -1.41 0.00 -1.26 -3.76 105.19 105.39 1xkl n GLY 16 Ca 0.00 -1.15 0.16 0.00 0.00 0.00 0.00 46.02 45.04 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 1.20 0.00 1.67 -0.02 0.00 -1.75 -1.44 103.07 102.73 1xkl h GLY 17 Ca -0.20 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1xkl h GLY 17 CO 0.25 0.00 0.12 0.11 0.00 0.00 0.00 176.54 177.03 1xkl h TRP 18 N 0.00 0.00 0.00 5.60 5.08 -1.89 -2.13 115.95 122.61 1xkl h TRP 18 Ca 0.11 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.08 1xkl h TRP 18 Cb 0.53 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.69 1xkl h TRP 18 CO 0.00 0.00 0.05 0.66 -1.28 0.00 0.00 178.44 177.87 1xkl h SER 19 N 0.00 0.00 -0.58 0.11 4.64 -1.67 -1.14 113.55 114.92 1xkl h SER 19 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1xkl h SER 19 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1xkl h SER 19 CO -0.00 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.75 1xkl n TRP 20 N -2.98 1.32 0.27 4.77 7.02 -0.80 -4.57 117.44 122.48 1xkl n TRP 20 Ca -0.03 -0.53 0.18 0.00 -1.02 0.00 0.00 57.50 56.10 1xkl n TRP 20 Cb 0.11 -0.22 0.94 0.00 -2.42 0.00 0.00 31.31 29.72 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 3.63 0.00 0.01 -5.99 -0.00 -1.38 0.55 116.97 113.79 1xkl h TYR 21 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 58.73 58.43 1xkl h TYR 21 Cb 1.31 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.99 1xkl h TYR 21 CO 0.69 0.00 -1.77 1.63 -0.00 0.00 0.00 178.16 178.71 1xkl n LYS 22 N -3.58 0.65 0.12 0.10 5.02 -1.26 -4.35 118.16 114.85 1xkl n LYS 22 Ca -0.01 0.28 -0.24 0.00 -2.02 0.00 0.00 58.31 56.32 1xkl n LYS 22 Cb 0.20 -1.78 -0.16 0.00 -0.02 0.00 0.00 35.03 33.28 1xkl n LYS 22 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1xkl h LEU 23 N 0.01 0.77 -0.51 -0.35 5.85 -1.72 -3.36 115.31 116.00 1xkl h LEU 23 Ca -0.31 -0.93 0.10 0.00 0.84 0.00 0.00 57.88 57.58 1xkl h LEU 23 Cb 2.02 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 42.70 1xkl h LEU 23 CO 0.08 1.74 -0.18 0.50 -0.34 0.00 0.00 178.44 180.24 1xkl h LYS 24 N 0.13 -0.06 -0.85 1.25 3.64 -1.11 -1.58 116.57 117.98 1xkl h LYS 24 Ca -0.29 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.12 1xkl h LYS 24 Cb 2.15 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.93 1xkl h LYS 24 CO 0.24 -0.04 0.55 -1.35 -2.27 0.00 0.00 179.45 176.58 1xkl h PRO 25 N -0.07 1.06 -0.26 1.90 0.11 -1.76 -2.09 132.00 130.90 1xkl h PRO 25 Ca 0.24 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1xkl h PRO 25 Cb 0.44 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1xkl h PRO 25 CO -0.56 0.70 0.17 -0.07 -0.21 0.00 0.00 178.00 178.03 1xkl h LEU 26 N 1.09 0.30 -0.69 2.35 4.07 -1.46 0.23 115.31 121.20 1xkl h LEU 26 Ca 0.34 -0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.22 1xkl h LEU 26 Cb -0.02 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 1xkl h LEU 26 CO -0.11 0.23 0.19 -0.07 -1.08 0.00 0.00 178.44 177.60 1xkl h LEU 27 N 0.34 1.02 -0.89 1.67 3.38 -1.17 -2.68 115.31 116.98 1xkl h LEU 27 Ca 0.09 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1xkl h LEU 27 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1xkl h LEU 27 CO -0.02 0.97 -0.31 -0.33 0.09 0.00 0.00 178.44 178.85 1xkl h GLU 28 N 1.02 0.45 0.00 1.13 5.08 -1.17 -2.04 114.58 119.06 1xkl h GLU 28 Ca 0.22 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1xkl h GLU 28 Cb 0.34 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1xkl h GLU 28 CO -0.00 0.72 -0.05 0.00 -1.00 0.00 0.00 179.01 178.67 1xkl h ALA 29 N 1.28 1.44 -0.01 3.43 0.00 -0.62 0.20 119.26 124.98 1xkl h ALA 29 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xkl h ALA 29 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1xkl h ALA 29 CO 0.06 0.07 -0.04 0.00 0.00 0.00 0.00 179.25 179.34 1xkl n ALA 30 N -2.31 2.68 -0.44 0.00 0.00 -0.79 -4.90 120.51 114.75 1xkl n ALA 30 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1xkl n ALA 30 Cb 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.15 1.14 3.61 0.00 0.00 0.69 -5.01 105.19 106.78 1xkl n GLY 31 Ca 0.19 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 2.76 0.02 1.61 3.76 -1.08 -4.49 115.29 115.87 1xkl s HIS 32 Ca 0.00 -0.16 -0.23 0.00 -0.15 0.00 0.00 55.06 54.52 1xkl s HIS 32 Cb 0.00 -1.38 -0.05 0.00 1.11 0.00 0.00 32.58 32.26 1xkl s HIS 32 CO 0.00 0.49 0.67 0.21 -0.85 0.00 0.00 174.74 175.26 1xkl s LYS 33 N -2.66 4.40 -0.04 1.40 2.20 0.56 -3.97 119.74 121.63 1xkl s LYS 33 Ca 0.25 0.89 0.03 0.00 -0.36 0.00 0.00 55.97 56.78 1xkl s LYS 33 Cb -0.10 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1xkl s LYS 33 CO 0.16 0.33 -0.14 0.08 -0.36 0.00 0.00 175.35 175.42 1xkl s VAL 34 N -0.13 1.22 -0.20 4.02 1.01 -1.26 0.66 120.40 125.71 1xkl s VAL 34 Ca 0.34 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1xkl s VAL 34 Cb -0.19 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.17 1xkl s VAL 34 CO 0.20 0.36 -0.07 -0.89 0.00 0.00 0.00 175.10 174.70 1xkl s THR 35 N 0.19 1.43 -0.94 3.92 2.01 -0.19 -4.97 115.64 117.09 1xkl s THR 35 Ca -0.06 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 1xkl s THR 35 Cb -0.12 -1.62 0.25 0.00 0.01 0.00 0.00 72.50 71.03 1xkl s THR 35 CO 0.02 0.04 0.99 0.00 -0.69 0.00 0.00 174.62 174.98 1xkl n ALA 36 N 4.74 4.21 -1.32 7.40 0.00 -1.26 -1.13 120.51 133.14 1xkl n ALA 36 Ca -0.13 -4.68 -0.31 0.00 0.00 0.00 0.00 53.44 48.33 1xkl n ALA 36 Cb 0.46 -1.85 0.10 0.00 0.00 0.00 0.00 19.45 18.15 1xkl n ALA 36 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1xkl s LEU 37 N -1.83 2.79 -0.20 0.00 2.34 -1.24 -4.38 118.68 116.16 1xkl s LEU 37 Ca 0.31 1.65 -0.10 0.00 0.06 0.00 0.00 54.13 56.05 1xkl s LEU 37 Cb -0.02 -4.29 -0.05 0.00 -0.56 0.00 0.00 46.19 41.28 1xkl s LEU 37 CO -0.05 -2.11 0.12 -1.81 -1.06 0.00 0.00 176.35 171.44 1xkl s ASP 38 N -3.52 6.08 0.90 1.48 -0.00 -1.26 -3.33 116.67 117.03 1xkl s ASP 38 Ca 0.61 0.18 -0.14 0.00 -0.00 0.00 0.00 52.55 53.20 1xkl s ASP 38 Cb -0.17 -2.07 0.15 0.00 -0.00 0.00 0.00 42.92 40.84 1xkl s ASP 38 CO 0.56 0.16 1.26 -0.76 -0.00 0.00 0.00 175.17 176.39 1xkl s LEU 39 N 0.50 2.60 0.46 1.23 1.43 -1.26 -4.75 118.68 118.88 1xkl s LEU 39 Ca 0.07 0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 53.41 1xkl s LEU 39 Cb -0.12 -2.71 -0.08 0.00 0.03 0.00 0.00 46.19 43.31 1xkl s LEU 39 CO -0.00 -2.42 1.34 0.00 0.23 0.00 0.00 176.35 175.49 1xkl n ALA 40 N -3.60 1.59 -2.33 4.21 0.00 -0.60 -2.44 120.51 117.33 1xkl n ALA 40 Ca 0.12 0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.64 1xkl n ALA 40 Cb 0.60 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 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 -0.43 -0.69 -2.49 0.00 0.00 -1.25 -4.92 120.51 110.73 1xkl n ALA 41 Ca 0.07 0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.46 1xkl n ALA 41 Cb 0.41 -1.64 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.05 1.93 1.59 0.00 0.01 -1.02 -4.80 113.70 109.36 1xkl s SER 42 Ca 0.00 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1xkl s SER 42 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1xkl s SER 42 CO 0.00 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1xkl n GLY 43 N 0.53 3.73 1.23 3.44 0.00 -1.25 -0.77 105.19 112.10 1xkl n GLY 43 Ca -0.15 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 1.05 -1.95 2.61 -2.24 -1.26 -4.95 114.28 107.55 1xkl n THR 44 Ca 0.00 -0.89 -0.41 0.00 -2.27 0.00 0.00 64.05 60.48 1xkl n THR 44 Cb 0.00 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.95 6.55 0.00 3.42 2.15 0.05 -4.91 116.67 122.98 1xkl s ASP 45 Ca 0.43 2.87 0.28 0.00 0.43 0.00 0.00 52.55 56.55 1xkl s ASP 45 Cb 0.24 -2.66 1.03 0.00 -0.30 0.00 0.00 42.92 41.23 1xkl s ASP 45 CO 0.26 -0.72 1.77 0.18 -0.17 0.00 0.00 175.17 176.49 1xkl n LEU 46 N 0.80 0.20 -4.79 -1.34 4.77 -1.26 -4.50 117.00 110.90 1xkl n LEU 46 Ca 0.01 0.28 -0.34 0.00 -0.03 0.00 0.00 56.01 55.93 1xkl n LEU 46 Cb 0.40 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1xkl n LEU 46 CO 0.62 0.05 0.75 -0.13 -1.33 0.00 0.00 177.39 177.34 1xkl s ARG 47 N -2.93 3.54 0.20 3.23 0.52 -1.26 -4.99 118.95 117.25 1xkl s ARG 47 Ca 0.15 1.47 0.03 0.00 -0.52 0.00 0.00 55.73 56.87 1xkl s ARG 47 Cb 0.19 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 1xkl s ARG 47 CO 0.57 -0.67 0.33 0.15 0.02 0.00 0.00 175.30 175.70 1xkl s LYS 48 N -3.33 3.45 0.30 3.54 1.02 -1.26 -3.88 119.74 119.58 1xkl s LYS 48 Ca 0.70 -0.63 -0.02 0.00 0.02 0.00 0.00 55.97 56.04 1xkl s LYS 48 Cb -0.20 -2.91 0.45 0.00 -0.52 0.00 0.00 37.83 34.65 1xkl s LYS 48 CO 0.25 0.46 1.96 0.97 -0.92 0.00 0.00 175.35 178.07 1xkl h ILE 49 N 1.40 1.19 0.00 2.17 6.09 -1.88 -1.42 117.51 125.07 1xkl h ILE 49 Ca -0.50 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 62.61 1xkl h ILE 49 Cb 1.21 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 38.48 1xkl h ILE 49 CO 0.65 0.20 0.00 -0.62 -3.07 0.00 0.00 178.15 175.31 1xkl n GLU 50 N -4.42 0.04 0.02 2.19 4.71 -1.26 -0.99 120.64 120.93 1xkl n GLU 50 Ca 0.10 0.32 0.11 0.00 -0.01 0.00 0.00 57.16 57.69 1xkl n GLU 50 Cb 0.05 -1.50 0.09 0.00 -1.01 0.00 0.00 31.44 29.07 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 -1.38 0.19 -3.39 3.49 1.02 -0.53 -4.80 120.64 115.23 1xkl n GLU 51 Ca 0.02 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 1xkl n GLU 51 Cb 0.05 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 29.80 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 -3.65 4.39 -0.03 -4.62 1.43 -0.16 -4.89 118.68 111.14 1xkl s LEU 52 Ca 0.06 -0.17 0.17 0.00 -1.03 0.00 0.00 54.13 53.16 1xkl s LEU 52 Cb 0.15 -2.36 -0.26 0.00 0.03 0.00 0.00 46.19 43.75 1xkl s LEU 52 CO 0.77 -0.33 0.36 0.54 0.23 0.00 0.00 176.35 177.92 1xkl n ARG 53 N 5.40 0.53 -4.26 1.70 5.12 -1.26 -5.02 116.66 118.87 1xkl n ARG 53 Ca -0.09 -0.15 -0.14 0.00 -1.93 0.00 0.00 57.85 55.54 1xkl n ARG 53 Cb 0.49 -1.40 -0.10 0.00 -1.16 0.00 0.00 32.46 30.30 1xkl n ARG 53 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1xkl s THR 54 N -3.13 0.72 0.44 0.55 -4.23 -1.26 -4.80 115.64 103.93 1xkl s THR 54 Ca -0.06 -1.99 0.15 0.00 -1.18 0.00 0.00 61.69 58.61 1xkl s THR 54 Cb 0.10 -2.21 0.18 0.00 1.34 0.00 0.00 72.50 71.91 1xkl s THR 54 CO 0.69 -0.40 1.98 0.25 -0.54 0.00 0.00 174.62 176.61 1xkl h LEU 55 N 2.62 0.00 -0.53 4.79 5.85 -1.95 -2.39 115.31 123.69 1xkl h LEU 55 Ca -0.37 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.25 1xkl h LEU 55 Cb 1.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1xkl h LEU 55 CO 0.63 0.20 -0.05 0.22 -0.34 0.00 0.00 178.44 179.09 1xkl h TYR 56 N 0.00 1.08 -0.81 1.25 5.03 -1.97 -1.27 116.97 120.28 1xkl h TYR 56 Ca -0.00 -0.21 0.02 0.00 2.58 0.00 0.00 58.73 61.12 1xkl h TYR 56 Cb 0.35 -0.27 -0.05 0.00 1.55 0.00 0.00 36.73 38.31 1xkl h TYR 56 CO 0.00 1.00 0.53 -0.44 -1.32 0.00 0.00 178.16 177.93 1xkl h ASP 57 N 0.85 0.89 -0.23 -2.11 3.32 -1.84 0.50 116.42 117.80 1xkl h ASP 57 Ca 0.14 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1xkl h ASP 57 Cb 0.61 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1xkl h ASP 57 CO 0.04 0.63 -0.20 0.22 -1.72 0.00 0.00 179.24 178.20 1xkl h TYR 58 N 1.05 0.76 -0.00 4.55 3.20 -1.34 -3.04 116.97 122.15 1xkl h TYR 58 Ca 0.31 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1xkl h TYR 58 Cb -0.04 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.04 1xkl h TYR 58 CO -0.02 0.83 -0.16 2.41 -1.64 0.00 0.00 178.16 179.58 1xkl n THR 59 N -4.13 0.00 -0.32 1.81 -1.04 -0.50 -1.56 114.28 108.55 1xkl n THR 59 Ca 0.00 -0.04 0.08 0.00 -2.04 0.00 0.00 64.05 62.05 1xkl n THR 59 Cb 0.41 -0.09 0.19 0.00 -1.82 0.00 0.00 70.33 69.01 1xkl n THR 59 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1xkl h LEU 60 N 0.42 -0.63 -1.64 -4.42 5.85 -0.80 0.12 115.31 114.21 1xkl h LEU 60 Ca 0.00 0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1xkl h LEU 60 Cb 0.41 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1xkl h LEU 60 CO 0.00 -0.30 0.25 -0.65 -0.34 0.00 0.00 178.44 177.40 1xkl h PRO 61 N 0.02 0.49 -1.27 5.25 0.11 -1.84 -1.11 132.00 133.65 1xkl h PRO 61 Ca 0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1xkl h PRO 61 Cb 0.88 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1xkl h PRO 61 CO -0.89 0.32 0.00 -0.11 -0.21 0.00 0.00 178.00 177.12 1xkl n LEU 62 N -4.48 1.58 0.00 2.35 7.94 0.43 -2.24 117.00 122.59 1xkl n LEU 62 Ca 0.03 -0.79 0.00 0.00 -1.11 0.00 0.00 56.01 54.14 1xkl n LEU 62 Cb 0.07 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 43.72 1xkl n LEU 62 CO 0.35 0.27 0.00 -0.62 -1.11 0.00 0.00 177.39 176.28 1xkl n GLU 64 N 0.62 0.00 0.00 1.96 1.02 -0.42 -4.65 120.64 119.16 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 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.69 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 0.00 0.00 -4.62 7.94 -0.95 -1.59 117.00 117.78 1xkl n LEU 65 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1xkl n LEU 65 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1xkl n LEU 65 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.49 1xkl n GLU 67 N 0.53 0.00 0.00 1.96 4.07 -1.26 -2.95 120.64 122.99 1xkl n GLU 67 Ca 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.25 1xkl n GLU 67 Cb 0.00 0.00 0.77 0.00 -0.06 0.00 0.00 31.44 32.15 1xkl n GLU 67 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1xkl n SER 68 N 0.00 0.57 -4.77 4.31 3.41 -0.62 -4.91 113.62 111.61 1xkl n SER 68 Ca 0.00 -1.13 -0.40 0.00 -0.26 0.00 0.00 58.87 57.08 1xkl n SER 68 Cb 0.00 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 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 -2.05 4.36 0.90 1.04 1.02 -1.15 -4.99 118.68 117.81 1xkl s LEU 69 Ca 0.43 2.58 -0.12 0.00 0.02 0.00 0.00 54.13 57.03 1xkl s LEU 69 Cb 0.21 -3.76 0.08 0.00 0.02 0.00 0.00 46.19 42.74 1xkl s LEU 69 CO 0.37 -0.58 0.81 -1.20 0.02 0.00 0.00 176.35 175.77 1xkl n SER 70 N 0.59 -0.67 -0.05 2.29 7.64 -1.26 -4.89 113.62 117.26 1xkl n SER 70 Ca 0.01 0.42 -0.12 0.00 1.01 0.00 0.00 58.87 60.19 1xkl n SER 70 Cb 0.43 -1.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.22 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 -1.51 -0.57 -0.95 -0.43 0.00 -1.99 -2.49 119.26 111.32 1xkl h ALA 71 Ca -0.44 0.01 -0.64 0.00 0.00 0.00 0.00 54.91 53.84 1xkl h ALA 71 Cb 1.28 0.86 -0.34 0.00 0.00 0.00 0.00 17.79 19.60 1xkl h ALA 71 CO 0.39 -0.93 0.32 -0.40 0.00 0.00 0.00 179.25 178.63 1xkl n ASP 72 N -5.43 6.73 -4.31 0.00 5.75 -1.26 -4.95 116.55 113.09 1xkl n ASP 72 Ca -0.03 -3.78 -0.35 0.00 -0.01 0.00 0.00 54.79 50.62 1xkl n ASP 72 Cb 0.36 -0.77 -0.14 0.00 -1.03 0.00 0.00 41.12 39.54 1xkl n ASP 72 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1xkl s GLU 73 N -3.77 3.36 0.35 0.11 2.12 -0.94 -5.10 118.70 114.82 1xkl s GLU 73 Ca 0.59 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 55.36 1xkl s GLU 73 Cb 0.47 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.81 1xkl s GLU 73 CO -0.04 -0.21 0.30 0.15 -0.54 0.00 0.00 175.26 174.92 1xkl s LYS 74 N 1.48 2.70 0.17 4.30 -0.14 -1.26 -4.63 119.74 122.35 1xkl s LYS 74 Ca 0.06 -1.33 -0.04 0.00 -1.36 0.00 0.00 55.97 53.30 1xkl s LYS 74 Cb -0.14 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.51 1xkl s LYS 74 CO -0.03 0.06 0.17 0.14 -0.76 0.00 0.00 175.35 174.93 1xkl s VAL 75 N -2.33 0.05 -0.22 3.17 -7.23 -0.44 -4.46 120.40 108.95 1xkl s VAL 75 Ca 0.42 -1.78 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1xkl s VAL 75 Cb -0.05 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.73 1xkl s VAL 75 CO 0.27 -0.23 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.11 1xkl s ILE 76 N -4.06 2.91 0.01 -0.62 1.01 -0.39 -0.92 121.20 119.14 1xkl s ILE 76 Ca 0.27 -0.76 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 1xkl s ILE 76 Cb 0.06 -2.35 -0.06 0.00 0.01 0.00 0.00 42.46 40.11 1xkl s ILE 76 CO 0.06 0.38 0.51 -0.76 0.00 0.00 0.00 174.94 175.13 1xkl s LEU 77 N 1.39 4.46 -0.20 2.97 1.43 -0.82 -0.89 118.68 127.02 1xkl s LEU 77 Ca 0.04 1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 54.23 1xkl s LEU 77 Cb -0.15 -2.78 0.05 0.00 0.03 0.00 0.00 46.19 43.35 1xkl s LEU 77 CO -0.06 0.23 -0.03 -0.69 0.23 0.00 0.00 176.35 176.03 1xkl s VAL 78 N -0.72 1.14 -0.11 -1.59 1.01 -0.20 0.27 120.40 120.20 1xkl s VAL 78 Ca 0.27 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1xkl s VAL 78 Cb -0.18 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1xkl s VAL 78 CO 0.16 -0.06 -0.05 -0.83 0.00 0.00 0.00 175.10 174.32 1xkl s GLY 79 N 1.59 1.71 -0.09 4.51 0.00 0.12 -0.31 107.32 114.85 1xkl s GLY 79 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1xkl s GLY 79 CO -0.07 -0.36 -0.10 -1.58 0.00 0.00 0.00 173.10 170.98 1xkl s HIS 80 N -0.23 2.85 0.00 1.90 2.46 -0.27 -0.08 115.29 121.91 1xkl s HIS 80 Ca 0.04 -0.23 0.00 0.00 0.47 0.00 0.00 55.06 55.34 1xkl s HIS 80 Cb -0.13 -1.75 0.00 0.00 -0.13 0.00 0.00 32.58 30.57 1xkl s HIS 80 CO 0.02 0.11 0.00 0.45 -2.47 0.00 0.00 174.74 172.86 1xkl n SER 81 N 2.73 0.00 0.33 9.88 2.88 -1.11 0.13 113.62 128.46 1xkl n SER 81 Ca -0.18 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.58 1xkl n SER 81 Cb 0.53 0.00 1.17 0.00 -0.75 0.00 0.00 64.21 65.16 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 -2.01 2.46 5.85 -1.88 -1.44 115.31 118.30 1xkl h LEU 82 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xkl h LEU 82 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1xkl h LEU 82 CO 0.00 0.00 0.25 1.23 -0.34 0.00 0.00 178.44 179.58 1xkl h GLY 83 N 0.00 0.00 -1.68 3.75 0.00 0.11 -3.20 103.07 102.04 1xkl h GLY 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 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 -1.21 0.49 1.11 4.60 0.00 -0.62 -1.00 105.19 108.58 1xkl n GLY 84 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.71 0.00 -0.26 1.61 4.13 -1.21 -1.85 115.26 118.38 1xkl n ASN 86 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1xkl n ASN 86 Cb 0.11 0.00 0.13 0.00 -1.54 0.00 0.00 39.78 38.48 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 0.62 -1.10 3.41 4.07 -1.38 -2.32 115.31 118.61 1xkl h LEU 87 Ca 0.00 0.04 0.12 0.00 0.08 0.00 0.00 57.88 58.12 1xkl h LEU 87 Cb 0.00 -0.08 -0.08 0.00 1.08 0.00 0.00 40.66 41.58 1xkl h LEU 87 CO 0.00 0.38 0.61 1.23 -1.08 0.00 0.00 178.44 179.58 1xkl h GLY 88 N 0.75 1.50 0.94 0.83 0.00 -1.65 -1.54 103.07 103.90 1xkl h GLY 88 Ca 0.34 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1xkl h GLY 88 CO -0.21 0.15 0.04 1.41 0.00 0.00 0.00 176.54 177.93 1xkl h LEU 89 N 0.91 0.66 -1.76 3.11 4.07 -1.73 -0.82 115.31 119.74 1xkl h LEU 89 Ca 0.48 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1xkl h LEU 89 Cb 0.54 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1xkl h LEU 89 CO -0.24 0.78 0.00 0.00 -1.08 0.00 0.00 178.44 177.89 1xkl n ALA 90 N -2.38 1.58 0.00 1.53 0.00 -0.58 -1.41 120.51 119.25 1xkl n ALA 90 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1xkl n ALA 90 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.79 0.00 0.02 0.00 4.07 -0.31 -0.64 120.64 124.57 1xkl n GLU 92 Ca 0.00 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.92 1xkl n GLU 92 Cb 0.08 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.33 1xkl n GLU 92 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1xkl h LYS 93 N 0.00 0.28 -2.03 5.31 3.64 -1.50 -3.40 116.57 118.87 1xkl h LYS 93 Ca 0.00 -0.41 -0.59 0.00 -1.27 0.00 0.00 60.65 58.38 1xkl h LYS 93 Cb 0.00 0.14 -0.42 0.00 -0.41 0.00 0.00 32.23 31.54 1xkl h LYS 93 CO 0.00 1.16 -0.68 0.66 -2.27 0.00 0.00 179.45 178.32 1xkl n TYR 94 N -4.23 3.79 -0.26 1.91 4.01 0.18 -4.90 117.16 117.67 1xkl n TYR 94 Ca -0.12 -3.71 0.12 0.00 -0.16 0.00 0.00 57.90 54.02 1xkl n TYR 94 Cb 0.73 -0.36 0.38 0.00 -0.31 0.00 0.00 39.34 39.78 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 2.85 0.67 -0.00 -0.72 0.13 -1.77 -2.05 132.00 131.12 1xkl h PRO 95 Ca 0.18 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1xkl h PRO 95 Cb 0.64 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1xkl h PRO 95 CO 0.82 0.44 -0.01 0.00 -0.23 0.00 0.00 178.00 179.03 1xkl n GLN 96 N -4.55 0.90 -0.28 0.86 0.00 -1.26 -3.16 117.38 109.89 1xkl n GLN 96 Ca 0.17 -0.11 0.10 0.00 0.00 0.00 0.00 57.00 57.16 1xkl n GLN 96 Cb 0.45 -1.50 0.25 0.00 0.00 0.00 0.00 30.24 29.44 1xkl n GLN 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1xkl n LYS 97 N -0.95 2.68 -4.10 2.61 5.02 -0.77 -4.90 118.16 117.75 1xkl n LYS 97 Ca 0.21 -2.38 -0.33 0.00 -2.02 0.00 0.00 58.31 53.78 1xkl n LYS 97 Cb 0.18 -1.46 -0.16 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.06 2.16 0.01 -0.18 1.01 -1.19 -1.32 121.20 120.63 1xkl s ILE 98 Ca 0.39 -0.95 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 1xkl s ILE 98 Cb 0.20 -1.93 -0.18 0.00 0.01 0.00 0.00 42.46 40.56 1xkl s ILE 98 CO 0.27 0.50 1.32 1.88 0.00 0.00 0.00 174.94 178.91 1xkl h TYR 99 N 7.94 0.15 -1.92 3.97 0.99 -1.35 -3.45 116.97 123.30 1xkl h TYR 99 Ca -0.44 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.21 1xkl h TYR 99 Cb 1.14 -0.03 -0.20 0.00 1.00 0.00 0.00 36.73 38.63 1xkl h TYR 99 CO 0.49 0.55 0.24 0.00 -0.00 0.00 0.00 178.16 179.44 1xkl s ALA 100 N -4.38 -1.80 -0.28 3.88 0.00 -1.26 -4.42 121.76 113.50 1xkl s ALA 100 Ca -0.15 1.49 -0.07 0.00 0.00 0.00 0.00 51.96 53.23 1xkl s ALA 100 Cb 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 1xkl s ALA 100 CO 0.70 -0.35 0.07 0.00 0.00 0.00 0.00 175.76 176.18 1xkl s ALA 101 N -0.88 3.08 -0.27 0.00 0.00 -0.03 -1.94 121.76 121.72 1xkl s ALA 101 Ca -0.07 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.42 1xkl s ALA 101 Cb -0.01 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1xkl s ALA 101 CO 0.07 -0.79 0.18 0.08 0.00 0.00 0.00 175.76 175.29 1xkl s VAL 102 N 1.53 5.27 -0.47 0.00 1.01 0.14 -0.94 120.40 126.94 1xkl s VAL 102 Ca 0.04 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 1xkl s VAL 102 Cb -0.16 -3.50 0.09 0.00 0.00 0.00 0.00 36.38 32.80 1xkl s VAL 102 CO 0.03 0.27 0.38 -0.36 0.00 0.00 0.00 175.10 175.41 1xkl s PHE 103 N 1.63 3.28 -0.55 5.22 0.40 0.49 0.10 117.98 128.54 1xkl s PHE 103 Ca 0.07 -1.22 -0.21 0.00 -0.60 0.00 0.00 56.93 54.98 1xkl s PHE 103 Cb -0.16 -3.26 0.06 0.00 0.51 0.00 0.00 43.02 40.18 1xkl s PHE 103 CO 0.10 -0.87 0.76 -1.17 0.70 0.00 0.00 175.22 174.74 1xkl s LEU 104 N 1.56 4.77 -1.64 -0.37 2.96 0.88 -1.36 118.68 125.47 1xkl s LEU 104 Ca 0.04 -0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 52.93 1xkl s LEU 104 Cb -0.25 -2.50 0.10 0.00 0.50 0.00 0.00 46.19 44.05 1xkl s LEU 104 CO 0.04 -1.09 0.46 0.00 -1.32 0.00 0.00 176.35 174.45 1xkl n ALA 105 N 6.71 -1.60 -2.39 5.97 0.00 -0.76 -2.76 120.51 125.67 1xkl n ALA 105 Ca -0.05 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.93 1xkl n ALA 105 Cb 0.45 -2.14 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 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 -3.71 3.92 0.88 0.00 0.00 -1.26 -3.05 121.76 118.54 1xkl s ALA 106 Ca 0.42 -1.78 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 1xkl s ALA 106 Cb -0.23 -0.59 0.18 0.00 0.00 0.00 0.00 23.12 22.47 1xkl s ALA 106 CO 0.96 -0.24 1.11 1.19 0.00 0.00 0.00 175.76 178.78 1xkl n PHE 107 N -1.44 -3.55 -3.92 0.00 0.99 -0.76 -4.88 117.46 103.91 1xkl n PHE 107 Ca -0.01 -1.34 -0.11 0.00 -0.00 0.00 0.00 57.45 55.99 1xkl n PHE 107 Cb 0.64 -0.84 -0.00 0.00 -1.00 0.00 0.00 39.48 38.28 1xkl n PHE 107 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1xkl s PRO 109 N -5.38 2.12 0.29 -1.08 0.05 -1.26 -3.97 135.00 125.78 1xkl s PRO 109 Ca 0.67 -1.57 0.05 0.00 0.05 0.00 0.00 61.00 60.20 1xkl s PRO 109 Cb -0.03 0.56 -0.03 0.00 0.05 0.00 0.00 34.50 35.05 1xkl s PRO 109 CO 0.46 -0.95 0.24 0.16 0.05 0.00 0.00 177.00 176.96 1xkl s ASP 110 N -3.14 1.23 -0.09 6.66 3.84 -1.26 -4.97 116.67 118.94 1xkl s ASP 110 Ca 0.21 -1.65 0.16 0.00 -0.00 0.00 0.00 52.55 51.28 1xkl s ASP 110 Cb -0.03 0.51 0.58 0.00 -1.38 0.00 0.00 42.92 42.60 1xkl s ASP 110 CO 0.15 -1.01 1.49 -1.54 -0.00 0.00 0.00 175.17 174.27 1xkl n SER 111 N -1.19 4.11 -0.11 2.11 3.41 -1.26 -4.61 113.62 116.09 1xkl n SER 111 Ca 0.06 -2.43 -0.18 0.00 -0.26 0.00 0.00 58.87 56.06 1xkl n SER 111 Cb 0.63 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.68 1.50 -2.34 -3.33 0.31 -1.26 -4.70 118.33 109.18 1xkl n VAL 112 Ca 0.21 -0.06 -0.01 0.00 -0.01 0.00 0.00 64.34 64.47 1xkl n VAL 112 Cb 0.77 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1xkl n VAL 112 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1xkl n HIS 113 N -4.40 -3.32 -0.90 3.52 8.25 -1.26 -5.06 115.22 112.05 1xkl n HIS 113 Ca -0.31 -0.07 -0.32 0.00 -0.26 0.00 0.00 57.72 56.76 1xkl n HIS 113 Cb 0.64 -0.03 0.15 0.00 1.12 0.00 0.00 29.99 31.87 1xkl n HIS 113 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xkl n ASN 114 N -2.99 0.64 0.26 0.41 4.13 -1.26 -4.88 115.26 111.56 1xkl n ASN 114 Ca 0.01 0.51 0.11 0.00 1.68 0.00 0.00 54.58 56.88 1xkl n ASN 114 Cb 0.02 -1.49 0.69 0.00 -1.54 0.00 0.00 39.78 37.47 1xkl n ASN 114 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1xkl h SER 115 N -1.37 0.00 -0.44 6.41 0.02 -1.70 -2.31 113.55 114.16 1xkl h SER 115 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1xkl h SER 115 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1xkl h SER 115 CO 0.43 0.11 0.00 -1.54 -1.14 0.00 0.00 176.83 174.69 1xkl n SER 116 N -3.94 2.65 -0.13 3.07 3.41 -1.21 -4.64 113.62 112.83 1xkl n SER 116 Ca -0.02 -1.95 -0.12 0.00 -0.26 0.00 0.00 58.87 56.51 1xkl n SER 116 Cb 0.20 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 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 3.06 -1.54 0.00 7.33 3.57 -1.76 0.72 116.94 128.32 1xkl h PHE 117 Ca 0.00 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1xkl h PHE 117 Cb 0.69 0.72 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 1xkl h PHE 117 CO 0.29 -0.44 -0.07 -0.39 -2.23 0.00 0.00 178.31 175.48 1xkl h VAL 118 N -0.35 1.00 -0.06 1.41 -1.51 -1.85 -1.19 116.25 113.71 1xkl h VAL 118 Ca 0.07 -0.23 -0.22 0.00 -1.23 0.00 0.00 66.70 65.09 1xkl h VAL 118 Cb 0.53 1.12 0.01 0.00 -2.13 0.00 0.00 31.29 30.82 1xkl h VAL 118 CO -0.54 0.06 -0.87 -0.07 -1.23 0.00 0.00 177.57 174.92 1xkl h LEU 119 N 0.00 0.70 -0.54 4.19 3.38 -1.65 -1.56 115.31 119.84 1xkl h LEU 119 Ca -0.00 -0.51 -0.10 0.00 0.09 0.00 0.00 57.88 57.37 1xkl h LEU 119 Cb 0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1xkl h LEU 119 CO 0.01 1.29 -0.04 -0.33 0.09 0.00 0.00 178.44 179.46 1xkl h GLU 120 N 0.35 0.97 -0.39 1.13 5.08 -0.24 -0.66 114.58 120.83 1xkl h GLU 120 Ca -0.07 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 1xkl h GLU 120 Cb 1.49 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1xkl h GLU 120 CO 0.16 1.00 0.05 1.96 -1.00 0.00 0.00 179.01 181.19 1xkl h GLN 121 N 0.85 0.64 -0.30 2.33 1.08 -1.23 -1.99 115.11 116.50 1xkl h GLN 121 Ca 0.15 -0.18 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1xkl h GLN 121 Cb 0.59 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 1xkl h GLN 121 CO 0.04 0.71 0.13 -0.92 -0.95 0.00 0.00 178.83 177.83 1xkl h TYR 122 N 0.49 0.23 0.00 2.96 3.20 -1.10 -1.94 116.97 120.80 1xkl h TYR 122 Ca 0.12 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1xkl h TYR 122 Cb 0.38 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1xkl h TYR 122 CO 0.03 0.12 -0.10 -0.97 -1.64 0.00 0.00 178.16 175.59 1xkl h ASN 123 N 0.28 0.00 1.33 -2.11 -1.24 -0.95 -0.93 115.58 111.97 1xkl h ASN 123 Ca 0.13 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.04 1xkl h ASN 123 Cb 0.07 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1xkl h ASN 123 CO -0.11 0.10 -0.69 -0.33 -1.29 0.00 0.00 177.43 175.11 1xkl h GLU 124 N 0.00 0.00 0.11 6.67 5.08 -0.61 -3.32 114.58 122.51 1xkl h GLU 124 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1xkl h GLU 124 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1xkl h GLU 124 CO 0.01 0.37 -1.80 0.00 -1.00 0.00 0.00 179.01 176.59 1xkl h ARG 125 N 0.00 0.23 -6.28 2.33 3.08 -1.06 -3.45 114.38 109.24 1xkl h ARG 125 Ca -0.04 -0.40 -0.55 0.00 0.07 0.00 0.00 59.98 59.06 1xkl h ARG 125 Cb 1.36 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.52 1xkl h ARG 125 CO 0.05 1.08 1.21 0.99 -1.07 0.00 0.00 179.97 182.23 1xkl s THR 126 N -2.58 3.60 0.61 2.04 2.01 -0.39 -4.99 115.64 115.94 1xkl s THR 126 Ca -0.15 0.54 -0.18 0.00 0.31 0.00 0.00 61.69 62.21 1xkl s THR 126 Cb 0.07 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1xkl s THR 126 CO 0.81 -0.79 1.19 -2.16 -0.69 0.00 0.00 174.62 172.98 1xkl s PRO 127 N 5.84 2.93 0.49 4.92 0.04 -1.26 -4.87 135.00 143.09 1xkl s PRO 127 Ca 0.66 1.75 0.24 0.00 0.04 0.00 0.00 61.00 63.69 1xkl s PRO 127 Cb -0.15 -1.93 1.30 0.00 0.04 0.00 0.00 34.50 33.75 1xkl s PRO 127 CO 0.28 -1.22 1.93 0.00 0.04 0.00 0.00 177.00 178.03 1xkl h ALA 128 N 0.74 2.46 -0.49 8.56 0.00 -1.94 -1.72 119.26 126.88 1xkl h ALA 128 Ca -0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1xkl h ALA 128 Cb 1.29 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1xkl h ALA 128 CO 0.55 -0.67 0.24 0.93 0.00 0.00 0.00 179.25 180.30 1xkl h GLU 129 N 0.15 0.68 -0.03 0.00 3.07 -1.96 -2.83 114.58 113.66 1xkl h GLU 129 Ca 0.35 -0.08 0.01 0.00 -0.50 0.00 0.00 59.36 59.15 1xkl h GLU 129 Cb 1.18 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1xkl h GLU 129 CO -0.05 0.52 0.02 -0.91 -1.40 0.00 0.00 179.01 177.19 1xkl h ASN 130 N 0.68 0.00 1.02 1.42 4.21 -1.67 -1.99 115.58 119.25 1xkl h ASN 130 Ca 0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.68 1xkl h ASN 130 Cb 0.06 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 1xkl h ASN 130 CO -0.02 0.00 0.00 -0.50 -1.29 0.00 0.00 177.43 175.62 1xkl h TRP 131 N 0.00 0.00 0.00 1.19 4.06 -1.65 -3.48 115.95 116.07 1xkl h TRP 131 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1xkl h TRP 131 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1xkl h TRP 131 CO 0.00 0.00 0.00 1.28 -3.56 0.00 0.00 178.44 176.16 1xkl n LEU 132 N -3.06 0.00 -1.59 -4.49 4.77 -0.75 -1.46 117.00 110.42 1xkl n LEU 132 Ca 0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1xkl n LEU 132 Cb 0.30 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.74 1xkl n LEU 132 CO 0.27 0.00 0.79 -0.90 -1.33 0.00 0.00 177.39 176.22 1xkl n ASP 133 N 8.17 4.74 -4.74 -1.43 3.85 -1.26 -4.97 116.55 120.90 1xkl n ASP 133 Ca 0.00 -2.58 -0.41 0.00 -0.71 0.00 0.00 54.79 51.08 1xkl n ASP 133 Cb 0.00 -0.60 -0.02 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 -2.14 2.51 -0.18 2.12 2.01 -0.53 -3.80 115.64 115.63 1xkl s THR 134 Ca 0.48 0.42 -0.13 0.00 0.31 0.00 0.00 61.69 62.77 1xkl s THR 134 Cb 0.33 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1xkl s THR 134 CO 0.19 0.07 0.24 -1.10 -0.69 0.00 0.00 174.62 173.33 1xkl s GLN 135 N -0.32 4.22 -0.23 4.92 -0.21 0.18 -4.90 119.66 123.32 1xkl s GLN 135 Ca 0.61 -0.02 0.02 0.00 0.02 0.00 0.00 55.36 55.99 1xkl s GLN 135 Cb -0.43 -3.44 0.05 0.00 1.00 0.00 0.00 33.01 30.18 1xkl s GLN 135 CO 0.44 0.22 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.63 1xkl s PHE 136 N 0.55 3.07 -0.02 0.91 0.08 -1.26 -0.32 117.98 120.99 1xkl s PHE 136 Ca 0.13 -2.09 0.04 0.00 0.12 0.00 0.00 56.93 55.14 1xkl s PHE 136 Cb -0.12 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 1xkl s PHE 136 CO 0.02 -0.85 -0.13 -0.51 -0.10 0.00 0.00 175.22 173.65 1xkl s LEU 137 N 1.17 1.95 0.30 -0.37 1.43 -0.73 -4.96 118.68 117.47 1xkl s LEU 137 Ca -0.04 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 52.61 1xkl s LEU 137 Cb -0.18 -0.70 -0.09 0.00 0.03 0.00 0.00 46.19 45.25 1xkl s LEU 137 CO -0.08 0.14 0.82 -2.16 0.23 0.00 0.00 176.35 175.30 1xkl s PRO 138 N -0.13 4.27 0.00 1.29 0.04 -1.26 0.16 135.00 139.36 1xkl s PRO 138 Ca 0.02 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1xkl s PRO 138 Cb -0.07 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1xkl s PRO 138 CO 0.00 0.24 0.74 2.48 0.04 0.00 0.00 177.00 180.51 1xkl n TYR 139 N 0.21 0.00 0.00 0.56 4.11 -0.71 -4.90 117.16 116.43 1xkl n TYR 139 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 1xkl n TYR 139 Cb 0.52 0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 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 4.61 3.53 -7.48 0.00 -1.19 -4.86 105.19 99.79 1xkl n GLY 140 Ca 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 0.86 -0.45 0.54 1.61 1.04 -1.12 -4.82 113.70 111.37 1xkl s SER 141 Ca 0.00 -0.20 0.26 0.00 0.48 0.00 0.00 55.95 56.48 1xkl s SER 141 Cb 0.00 0.62 1.43 0.00 0.10 0.00 0.00 66.02 68.18 1xkl s SER 141 CO 0.00 -1.06 2.01 1.55 0.98 0.00 0.00 173.24 176.71 1xkl h PRO 142 N 2.03 0.00 -0.83 4.02 0.13 -2.00 0.87 132.00 136.22 1xkl h PRO 142 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1xkl h PRO 142 Cb 1.29 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1xkl h PRO 142 CO 0.35 0.00 0.52 0.93 -0.23 0.00 0.00 178.00 179.57 1xkl h GLU 143 N 0.00 1.11 -1.60 0.86 5.08 -2.06 -3.36 114.58 114.61 1xkl h GLU 143 Ca 0.22 -0.09 -0.31 0.00 -1.00 0.00 0.00 59.36 58.18 1xkl h GLU 143 Cb 0.93 -0.24 -0.26 0.00 0.50 0.00 0.00 28.75 29.68 1xkl h GLU 143 CO -0.00 0.76 -0.66 -1.83 -1.00 0.00 0.00 179.01 176.28 1xkl s GLU 144 N -6.04 0.89 0.15 2.33 -1.05 0.50 -5.14 118.70 110.34 1xkl s GLU 144 Ca -0.13 -1.19 -0.34 0.00 -0.15 0.00 0.00 54.97 53.17 1xkl s GLU 144 Cb 0.16 -0.56 -0.13 0.00 -0.44 0.00 0.00 34.13 33.15 1xkl s GLU 144 CO 0.80 -1.29 1.62 -0.35 0.95 0.00 0.00 175.26 176.99 1xkl n PRO 145 N 3.43 2.26 -4.53 -4.83 -0.04 0.27 -2.78 135.00 128.78 1xkl n PRO 145 Ca 0.18 0.82 -0.21 0.00 -0.04 0.00 0.00 63.50 64.25 1xkl n PRO 145 Cb 0.51 -2.61 -0.15 0.00 -0.04 0.00 0.00 33.50 31.21 1xkl n PRO 145 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xkl s LEU 146 N 1.18 1.93 -0.03 1.53 1.43 -1.26 -4.59 118.68 118.87 1xkl s LEU 146 Ca 0.79 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1xkl s LEU 146 Cb -0.65 -0.65 0.03 0.00 0.03 0.00 0.00 46.19 44.95 1xkl s LEU 146 CO 0.38 0.12 0.03 -0.89 0.23 0.00 0.00 176.35 176.22 1xkl s THR 147 N -0.08 -0.02 0.00 5.49 2.01 -1.26 -1.75 115.64 120.03 1xkl s THR 147 Ca 0.01 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1xkl s THR 147 Cb -0.07 -0.13 0.00 0.00 0.01 0.00 0.00 72.50 72.31 1xkl s THR 147 CO 0.00 0.12 0.00 -1.54 -0.69 0.00 0.00 174.62 172.51 1xkl n SER 148 N 4.38 0.00 0.00 3.53 3.41 0.12 -4.40 113.62 120.67 1xkl n SER 148 Ca -0.23 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 1xkl n SER 148 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.42 0.00 -1.82 7.33 7.35 0.56 -1.78 117.46 128.69 1xkl n PHE 150 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 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 2.79 0.46 -5.13 0.08 -1.26 0.47 117.98 115.38 1xkl s PHE 151 Ca 0.00 0.84 0.01 0.00 0.12 0.00 0.00 56.93 57.89 1xkl s PHE 151 Cb 0.00 -4.02 0.00 0.00 -0.57 0.00 0.00 43.02 38.43 1xkl s PHE 151 CO 0.00 -3.41 0.67 0.20 -0.10 0.00 0.00 175.22 172.58 1xkl s GLY 152 N 0.45 1.61 0.40 4.36 0.00 -1.25 -4.85 107.32 108.04 1xkl s GLY 152 Ca 0.62 -1.13 0.12 0.00 0.00 0.00 0.00 44.72 44.33 1xkl s GLY 152 CO 0.48 -0.95 1.94 -0.56 0.00 0.00 0.00 173.10 174.00 1xkl h PRO 153 N 0.39 0.52 -0.13 2.90 0.13 -1.95 -1.69 132.00 132.16 1xkl h PRO 153 Ca -0.45 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 1xkl h PRO 153 Cb 1.26 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 32.28 1xkl h PRO 153 CO 0.56 0.34 -0.48 0.87 -0.23 0.00 0.00 178.00 179.07 1xkl h LYS 154 N 0.53 0.55 -0.58 0.86 1.57 -1.94 -1.66 116.57 115.90 1xkl h LYS 154 Ca 0.34 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1xkl h LYS 154 Cb 0.61 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1xkl h LYS 154 CO -0.12 1.04 0.27 0.35 -0.57 0.00 0.00 179.45 180.43 1xkl h PHE 155 N 0.17 0.81 -0.21 -1.35 3.04 -1.73 0.16 116.94 117.83 1xkl h PHE 155 Ca -0.02 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 1xkl h PHE 155 Cb 1.11 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 1xkl h PHE 155 CO 0.11 0.60 -0.07 -0.07 -2.02 0.00 0.00 178.31 176.86 1xkl h LEU 156 N 0.82 0.42 -0.34 0.59 3.38 -1.26 -0.03 115.31 118.89 1xkl h LEU 156 Ca 0.20 -0.39 -0.18 0.00 0.09 0.00 0.00 57.88 57.61 1xkl h LEU 156 Cb 0.10 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1xkl h LEU 156 CO -0.03 0.71 -0.49 0.00 0.09 0.00 0.00 178.44 178.73 1xkl h ALA 157 N 0.72 0.52 0.12 1.53 0.00 -0.95 0.82 119.26 122.02 1xkl h ALA 157 Ca 0.05 -0.49 -0.32 0.00 0.00 0.00 0.00 54.91 54.15 1xkl h ALA 157 Cb 0.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xkl h ALA 157 CO 0.02 0.68 -1.66 0.45 0.00 0.00 0.00 179.25 178.75 1xkl h HIS 158 N 0.70 0.45 0.00 0.00 3.86 -0.75 -2.35 115.15 117.06 1xkl h HIS 158 Ca 0.03 -0.33 -0.18 0.00 -1.16 0.00 0.00 60.37 58.73 1xkl h HIS 158 Cb 1.09 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.51 1xkl h HIS 158 CO 0.07 1.45 -2.04 1.63 0.86 0.00 0.00 177.93 179.90 1xkl n LYS 159 N -3.44 0.92 -0.04 2.45 4.76 -0.04 -4.50 118.16 118.28 1xkl n LYS 159 Ca -0.20 -0.08 -0.05 0.00 -2.87 0.00 0.00 58.31 55.11 1xkl n LYS 159 Cb 1.05 -1.44 -0.04 0.00 -1.84 0.00 0.00 35.03 32.76 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 -2.43 2.82 -0.82 -0.35 4.77 -0.91 -1.90 117.00 118.18 1xkl n LEU 160 Ca -0.18 -0.04 0.08 0.00 -0.03 0.00 0.00 56.01 55.84 1xkl n LEU 160 Cb 0.82 -0.26 0.23 0.00 -2.33 0.00 0.00 43.42 41.88 1xkl n LEU 160 CO 0.38 0.61 0.69 -1.22 -1.33 0.00 0.00 177.39 176.51 1xkl n TYR 161 N -2.71 0.80 0.29 -1.77 4.02 0.28 -3.44 117.16 114.63 1xkl n TYR 161 Ca -0.14 -0.77 0.16 0.00 -0.01 0.00 0.00 57.90 57.14 1xkl n TYR 161 Cb 0.66 -0.23 0.80 0.00 -0.02 0.00 0.00 39.34 40.54 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 1.86 0.00 -0.12 -0.72 -0.00 -1.59 0.55 115.11 115.09 1xkl h GLN 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xkl h GLN 162 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 1xkl h GLN 162 CO 0.16 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.27 1xkl n LEU 163 N -3.04 2.50 -4.96 0.06 4.77 -1.26 -5.04 117.00 110.03 1xkl n LEU 163 Ca -0.00 -2.30 -0.22 0.00 -0.03 0.00 0.00 56.01 53.46 1xkl n LEU 163 Cb 0.43 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1xkl n LEU 163 CO 0.16 0.62 0.11 0.00 -1.33 0.00 0.00 177.39 176.95 1xkl s SER 165 N -4.10 4.36 0.51 0.00 1.04 -1.26 -4.88 113.70 109.38 1xkl s SER 165 Ca 0.41 2.06 0.26 0.00 0.48 0.00 0.00 55.95 59.16 1xkl s SER 165 Cb -0.09 -2.55 1.39 0.00 0.10 0.00 0.00 66.02 64.86 1xkl s SER 165 CO 0.33 -2.13 2.06 1.55 0.98 0.00 0.00 173.24 176.03 1xkl h PRO 166 N -0.69 0.00 -0.20 4.02 0.13 -1.98 -2.26 132.00 131.02 1xkl h PRO 166 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 1xkl h PRO 166 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xkl h PRO 166 CO 0.50 0.13 -0.20 0.93 -0.23 0.00 0.00 178.00 179.13 1xkl h GLU 167 N 0.00 0.49 -0.67 0.86 3.07 -1.99 -2.21 114.58 114.12 1xkl h GLU 167 Ca -0.00 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.58 1xkl h GLU 167 Cb 0.33 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1xkl h GLU 167 CO 0.02 0.83 0.32 -0.44 -1.40 0.00 0.00 179.01 178.34 1xkl h ASP 168 N 0.16 0.86 -0.35 1.42 3.45 -1.79 0.38 116.42 120.55 1xkl h ASP 168 Ca 0.03 -0.09 -0.10 0.00 0.43 0.00 0.00 57.03 57.30 1xkl h ASP 168 Cb 0.75 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.28 1xkl h ASP 168 CO 0.05 0.73 -0.13 0.25 -1.57 0.00 0.00 179.24 178.57 1xkl h LEU 169 N 0.95 0.78 -0.54 1.55 5.85 -1.35 -0.89 115.31 121.66 1xkl h LEU 169 Ca 0.23 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1xkl h LEU 169 Cb 0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1xkl h LEU 169 CO -0.03 0.92 -0.22 0.00 -0.34 0.00 0.00 178.44 178.77 1xkl h ALA 170 N 1.15 0.73 -0.18 1.25 0.00 -0.83 -0.98 119.26 120.41 1xkl h ALA 170 Ca 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1xkl h ALA 170 Cb 0.61 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xkl h ALA 170 CO 0.04 0.67 0.08 1.25 0.00 0.00 0.00 179.25 181.29 1xkl h LEU 171 N 0.82 0.24 -0.42 0.00 5.85 -0.57 -2.62 115.31 118.61 1xkl h LEU 171 Ca 0.11 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1xkl h LEU 171 Cb 0.79 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1xkl h LEU 171 CO 0.07 0.30 0.24 0.00 -0.34 0.00 0.00 178.44 178.71 1xkl h ALA 172 N 0.94 0.53 -0.06 1.25 0.00 -1.02 -2.28 119.26 118.62 1xkl h ALA 172 Ca 0.06 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xkl h ALA 172 Cb 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xkl h ALA 172 CO -0.01 0.04 0.06 0.77 0.00 0.00 0.00 179.25 180.11 1xkl h SER 173 N 0.54 0.00 0.36 0.00 0.02 -1.05 0.12 113.55 113.55 1xkl h SER 173 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1xkl h SER 173 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1xkl h SER 173 CO -0.03 0.00 -0.75 -1.54 -1.14 0.00 0.00 176.83 173.37 1xkl n SER 174 N -4.03 0.66 -0.01 3.07 3.41 -0.98 -4.48 113.62 111.26 1xkl n SER 174 Ca -0.02 -0.43 0.02 0.00 -0.26 0.00 0.00 58.87 58.19 1xkl n SER 174 Cb 0.15 0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.62 0.00 -4.72 1.04 4.77 -0.52 -5.05 117.00 110.90 1xkl n LEU 175 Ca 0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.62 1xkl n LEU 175 Cb 0.36 0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1xkl n LEU 175 CO 0.38 0.02 0.94 1.33 -1.33 0.00 0.00 177.39 178.73 1xkl n VAL 176 N -1.76 2.67 -4.15 4.08 0.24 0.30 -4.77 118.33 114.94 1xkl n VAL 176 Ca -0.02 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.65 1xkl n VAL 176 Cb 0.22 -1.65 -0.11 0.00 -1.47 0.00 0.00 33.84 30.84 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 -2.30 0.78 0.58 7.34 0.52 -1.04 -5.05 118.95 119.79 1xkl s ARG 177 Ca 0.61 -1.15 -0.20 0.00 -0.52 0.00 0.00 55.73 54.48 1xkl s ARG 177 Cb -0.49 -0.36 -0.05 0.00 0.52 0.00 0.00 34.95 34.58 1xkl s ARG 177 CO 0.57 0.04 1.13 -0.35 0.02 0.00 0.00 175.30 176.71 1xkl n PRO 178 N 0.49 1.17 0.00 3.54 -0.04 -1.26 -4.02 135.00 134.88 1xkl n PRO 178 Ca -0.16 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1xkl n PRO 178 Cb 0.58 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 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 -0.91 0.02 -3.59 3.54 2.88 -1.26 -4.74 113.62 109.55 1xkl n SER 179 Ca 0.13 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.58 1xkl n SER 179 Cb 0.46 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.32 0.06 -3.46 0.15 -1.26 -4.33 113.70 105.55 1xkl s SER 180 Ca 0.00 0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.28 1xkl s SER 180 Cb 0.00 0.30 0.47 0.00 -1.71 0.00 0.00 66.02 65.09 1xkl s SER 180 CO 0.00 -0.27 1.40 0.18 1.20 0.00 0.00 173.24 175.75 1xkl n LEU 181 N 0.84 0.57 -2.29 3.45 4.77 -1.26 -5.01 117.00 118.07 1xkl n LEU 181 Ca -0.09 0.16 -0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1xkl n LEU 181 Cb 0.58 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1xkl n LEU 181 CO 0.13 0.02 -0.37 0.49 -1.33 0.00 0.00 177.39 176.33 1xkl n PHE 182 N -1.82 -3.57 0.00 -1.77 3.72 -1.26 -4.91 117.46 107.84 1xkl n PHE 182 Ca 0.04 2.12 0.00 0.00 -0.05 0.00 0.00 57.45 59.57 1xkl n PHE 182 Cb 0.39 -3.10 0.00 0.00 -0.94 0.00 0.00 39.48 35.83 1xkl n PHE 182 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1xkl n GLU 184 N 1.90 0.00 -0.10 -1.08 -0.58 -1.26 -1.43 120.64 118.09 1xkl n GLU 184 Ca -0.02 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.64 1xkl n GLU 184 Cb 0.02 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.89 1xkl n GLU 184 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1xkl h ASP 185 N 0.00 0.34 -0.61 1.62 3.58 -1.87 -2.84 116.42 116.64 1xkl h ASP 185 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 1xkl h ASP 185 Cb 0.00 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 1xkl h ASP 185 CO 0.00 0.24 0.21 -0.07 -2.88 0.00 0.00 179.24 176.74 1xkl h LEU 186 N 0.42 0.91 -1.37 2.28 3.38 -1.60 -2.25 115.31 117.08 1xkl h LEU 186 Ca 0.13 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xkl h LEU 186 Cb -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1xkl h LEU 186 CO -0.06 0.85 0.00 0.77 0.09 0.00 0.00 178.44 180.09 1xkl h SER 187 N 0.95 0.00 -0.00 -0.43 4.64 -1.75 -2.84 113.55 114.11 1xkl h SER 187 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1xkl h SER 187 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1xkl h SER 187 CO -0.01 0.00 -0.01 0.29 -0.87 0.00 0.00 176.83 176.23 1xkl n LYS 188 N -2.49 -0.06 -3.62 4.77 4.01 -1.06 -4.84 118.16 114.88 1xkl n LYS 188 Ca 0.00 -0.60 -0.20 0.00 -0.51 0.00 0.00 58.31 56.99 1xkl n LYS 188 Cb 0.15 -1.01 -0.01 0.00 -0.51 0.00 0.00 35.03 33.65 1xkl n LYS 188 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1xkl s ALA 189 N -0.31 4.05 -0.58 7.82 0.00 -0.87 -5.06 121.76 126.82 1xkl s ALA 189 Ca 0.03 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 50.74 1xkl s ALA 189 Cb 0.02 -1.76 0.23 0.00 0.00 0.00 0.00 23.12 21.61 1xkl s ALA 189 CO 0.04 0.04 0.62 1.17 0.00 0.00 0.00 175.76 177.63 1xkl n LYS 190 N -1.60 1.80 0.10 0.00 4.81 -1.26 -4.07 118.16 117.95 1xkl n LYS 190 Ca -0.04 -4.19 -0.03 0.00 -0.87 0.00 0.00 58.31 53.19 1xkl n LYS 190 Cb 0.58 -1.97 0.03 0.00 0.02 0.00 0.00 35.03 33.68 1xkl n LYS 190 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1xkl h TYR 191 N 4.45 0.00 -3.87 5.64 -1.99 -1.97 -3.46 116.97 115.77 1xkl h TYR 191 Ca 0.17 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 60.24 1xkl h TYR 191 Cb 0.75 0.00 -0.32 0.00 2.00 0.00 0.00 36.73 39.16 1xkl h TYR 191 CO 0.60 0.77 -0.87 -0.06 -0.00 0.00 0.00 178.16 178.59 1xkl s PHE 192 N -3.11 2.29 0.15 4.88 0.08 -1.26 -4.81 117.98 116.19 1xkl s PHE 192 Ca 0.01 -0.72 0.07 0.00 0.12 0.00 0.00 56.93 56.40 1xkl s PHE 192 Cb 0.11 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 1xkl s PHE 192 CO 0.78 -0.24 -0.15 0.95 -0.10 0.00 0.00 175.22 176.46 1xkl s THR 193 N -0.03 1.53 0.30 0.64 -4.23 -1.26 -4.53 115.64 108.05 1xkl s THR 193 Ca -0.06 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1xkl s THR 193 Cb -0.14 -1.74 0.09 0.00 1.34 0.00 0.00 72.50 72.06 1xkl s THR 193 CO 0.04 -0.45 1.77 -0.78 -0.54 0.00 0.00 174.62 174.66 1xkl h ASP 194 N 3.21 0.49 0.12 3.99 1.82 -1.95 -1.75 116.42 122.35 1xkl h ASP 194 Ca -0.40 -0.14 -0.08 0.00 -0.39 0.00 0.00 57.03 56.02 1xkl h ASP 194 Cb 1.20 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.07 1xkl h ASP 194 CO 0.54 0.68 -0.28 -0.33 -1.61 0.00 0.00 179.24 178.24 1xkl h GLU 195 N 0.45 0.25 0.00 0.28 3.07 -1.97 -2.97 114.58 113.69 1xkl h GLU 195 Ca 0.08 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1xkl h GLU 195 Cb 0.57 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1xkl h GLU 195 CO 0.04 0.52 0.00 0.54 -1.40 0.00 0.00 179.01 178.71 1xkl n ARG 196 N -4.14 0.00 -0.20 2.33 1.74 -1.16 -4.32 116.66 110.92 1xkl n ARG 196 Ca -0.01 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.08 1xkl n ARG 196 Cb 0.38 -0.12 0.09 0.00 -1.02 0.00 0.00 32.46 31.80 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 0.00 -0.10 0.00 -1.55 3.57 -1.60 -1.10 116.94 116.16 1xkl h PHE 197 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1xkl h PHE 197 Cb 0.00 0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1xkl h PHE 197 CO 0.00 -0.19 0.00 0.41 -2.23 0.00 0.00 178.31 176.30 1xkl n GLY 198 N -1.37 -0.92 0.14 2.40 0.00 -0.73 -2.81 105.19 101.89 1xkl n GLY 198 Ca 0.09 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.30 0.70 -4.75 1.61 3.41 -0.42 -4.87 113.62 108.00 1xkl n SER 199 Ca 0.09 -0.57 -0.38 0.00 -0.26 0.00 0.00 58.87 57.75 1xkl n SER 199 Cb 0.15 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.65 5.13 0.23 -3.33 1.01 -1.12 -5.03 120.40 114.64 1xkl s VAL 200 Ca 0.22 0.94 -0.32 0.00 0.00 0.00 0.00 61.98 62.82 1xkl s VAL 200 Cb 0.19 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.64 1xkl s VAL 200 CO 0.55 0.39 1.52 0.29 0.00 0.00 0.00 175.10 177.85 1xkl n LYS 201 N 3.18 2.28 -4.91 2.72 4.76 -1.26 -4.86 118.16 120.06 1xkl n LYS 201 Ca -0.09 0.81 -0.33 0.00 -2.87 0.00 0.00 58.31 55.84 1xkl n LYS 201 Cb 0.52 -2.54 -0.13 0.00 -1.84 0.00 0.00 35.03 31.03 1xkl n LYS 201 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1xkl s ARG 202 N 0.03 2.56 -0.01 1.97 0.52 -1.26 -0.85 118.95 121.90 1xkl s ARG 202 Ca 0.70 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 55.22 1xkl s ARG 202 Cb -0.61 -2.37 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1xkl s ARG 202 CO 0.45 0.58 -0.07 0.08 0.02 0.00 0.00 175.30 176.36 1xkl s VAL 203 N -0.62 0.58 -0.10 3.52 1.01 -0.12 -1.06 120.40 123.62 1xkl s VAL 203 Ca 0.09 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1xkl s VAL 203 Cb -0.11 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.76 1xkl s VAL 203 CO 0.01 0.18 -0.18 -0.47 0.00 0.00 0.00 175.10 174.64 1xkl s TYR 204 N 0.05 2.11 -0.37 5.22 6.14 -0.63 -0.38 117.35 129.49 1xkl s TYR 204 Ca -0.00 -0.92 -0.10 0.00 0.64 0.00 0.00 57.07 56.69 1xkl s TYR 204 Cb -0.05 -1.47 0.03 0.00 0.42 0.00 0.00 41.96 40.88 1xkl s TYR 204 CO -0.00 -0.43 0.18 0.42 0.64 0.00 0.00 175.55 176.36 1xkl s ILE 205 N 0.70 4.36 0.11 3.14 1.01 -0.47 -0.62 121.20 129.44 1xkl s ILE 205 Ca -0.12 -0.95 -0.23 0.00 0.00 0.00 0.00 60.65 59.35 1xkl s ILE 205 Cb -0.16 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.79 1xkl s ILE 205 CO 0.03 -0.23 0.68 -0.69 0.00 0.00 0.00 174.94 174.73 1xkl s VAL 206 N 1.51 4.56 -0.40 2.92 1.01 -0.32 -1.83 120.40 127.86 1xkl s VAL 206 Ca 0.01 1.48 -0.05 0.00 0.00 0.00 0.00 61.98 63.43 1xkl s VAL 206 Cb -0.19 -4.03 0.09 0.00 0.00 0.00 0.00 36.38 32.25 1xkl s VAL 206 CO 0.06 0.52 0.19 0.00 0.00 0.00 0.00 175.10 175.87 1xkl h THR 208 N 6.29 0.67 -0.49 0.00 1.35 -1.63 -1.90 112.91 117.20 1xkl h THR 208 Ca -0.17 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1xkl h THR 208 Cb 1.06 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1xkl h THR 208 CO 0.70 0.11 0.00 -0.62 -0.25 0.00 0.00 175.52 175.46 1xkl n GLU 209 N -4.87 3.70 -1.96 4.72 -0.58 -0.81 -4.60 120.64 116.24 1xkl n GLU 209 Ca 0.20 -2.41 -0.42 0.00 -0.42 0.00 0.00 57.16 54.11 1xkl n GLU 209 Cb 0.52 -1.96 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 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 -0.71 6.62 0.00 1.62 -1.08 -0.71 -4.52 116.67 117.89 1xkl s ASP 210 Ca 0.42 2.49 0.10 0.00 -0.52 0.00 0.00 52.55 55.04 1xkl s ASP 210 Cb 0.30 -2.57 0.11 0.00 -1.46 0.00 0.00 42.92 39.30 1xkl s ASP 210 CO 0.16 -0.85 0.88 0.29 0.52 0.00 0.00 175.17 176.17 1xkl n LYS 211 N 5.14 0.77 -0.10 4.34 5.02 -1.24 -3.91 118.16 128.19 1xkl n LYS 211 Ca 0.15 -1.23 -0.17 0.00 -2.02 0.00 0.00 58.31 55.03 1xkl n LYS 211 Cb 0.40 -1.20 -0.07 0.00 -0.02 0.00 0.00 35.03 34.14 1xkl n LYS 211 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xkl n GLY 212 N 0.54 -0.75 2.91 0.72 0.00 -0.80 -4.65 105.19 103.16 1xkl n GLY 212 Ca 0.07 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1xkl n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xkl s ILE 213 N -2.44 2.43 0.49 -0.61 1.01 -1.26 -5.10 121.20 115.72 1xkl s ILE 213 Ca -0.27 -3.31 -0.20 0.00 0.00 0.00 0.00 60.65 56.87 1xkl s ILE 213 Cb 0.07 -2.68 -0.11 0.00 0.01 0.00 0.00 42.46 39.75 1xkl s ILE 213 CO 0.45 -0.84 0.55 -0.81 0.00 0.00 0.00 174.94 174.29 1xkl n PRO 214 N 3.05 0.59 -0.31 2.79 -0.04 -1.25 -4.67 135.00 135.17 1xkl n PRO 214 Ca 0.07 0.22 0.18 0.00 -0.04 0.00 0.00 63.50 63.93 1xkl n PRO 214 Cb 0.33 -1.62 0.43 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.59 0.53 -0.48 0.54 4.81 -1.79 -0.35 114.58 118.43 1xkl h GLU 215 Ca -0.43 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1xkl h GLU 215 Cb 1.40 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1xkl h GLU 215 CO 0.50 0.35 0.28 1.05 -0.73 0.00 0.00 179.01 180.45 1xkl h GLU 216 N 0.55 0.66 -0.55 1.92 9.09 -1.94 0.14 114.58 124.45 1xkl h GLU 216 Ca 0.55 -0.07 -0.10 0.00 0.05 0.00 0.00 59.36 59.79 1xkl h GLU 216 Cb 1.15 -0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 28.10 1xkl h GLU 216 CO -0.29 0.50 -0.05 0.35 0.05 0.00 0.00 179.01 179.57 1xkl h PHE 217 N 0.64 1.07 -0.23 2.06 3.57 -1.44 -0.27 116.94 122.33 1xkl h PHE 217 Ca 0.17 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1xkl h PHE 217 Cb 0.02 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1xkl h PHE 217 CO -0.02 0.97 0.15 1.96 -2.23 0.00 0.00 178.31 179.14 1xkl h GLN 218 N 0.89 0.29 -0.71 1.11 4.20 -0.85 -1.69 115.11 118.35 1xkl h GLN 218 Ca 0.15 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.88 1xkl h GLN 218 Cb 0.58 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 1xkl h GLN 218 CO 0.04 0.19 0.44 0.00 -0.67 0.00 0.00 178.83 178.83 1xkl h ARG 219 N 0.30 0.83 -0.31 1.46 2.47 -0.38 -2.51 114.38 116.24 1xkl h ARG 219 Ca 0.09 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.79 1xkl h ARG 219 Cb -0.02 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.08 1xkl h ARG 219 CO -0.03 0.55 0.12 2.35 0.56 0.00 0.00 179.97 183.52 1xkl h TRP 220 N 0.85 0.21 -0.70 3.04 7.01 -0.54 -1.29 115.95 124.53 1xkl h TRP 220 Ca 0.29 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.32 1xkl h TRP 220 Cb 0.05 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.03 1xkl h TRP 220 CO -0.05 0.10 0.46 1.96 -2.79 0.00 0.00 178.44 178.12 1xkl h GLN 221 N 0.26 0.90 -0.54 2.65 4.20 -0.95 0.33 115.11 121.95 1xkl h GLN 221 Ca 0.14 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1xkl h GLN 221 Cb 0.10 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1xkl h GLN 221 CO -0.13 0.60 0.17 0.82 -0.67 0.00 0.00 178.83 179.61 1xkl h ILE 222 N 0.93 1.24 -0.05 2.54 2.04 -0.97 -2.71 117.51 120.52 1xkl h ILE 222 Ca 0.26 -0.80 -0.15 0.00 1.00 0.00 0.00 64.86 65.16 1xkl h ILE 222 Cb -0.09 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1xkl h ILE 222 CO -0.06 0.30 -0.65 0.44 0.00 0.00 0.00 178.15 178.18 1xkl h ASP 223 N 0.76 0.24 -0.24 1.72 3.45 -0.43 0.18 116.42 122.10 1xkl h ASP 223 Ca 0.17 -0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 1xkl h ASP 223 Cb 0.29 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1xkl h ASP 223 CO -0.00 0.83 0.13 -1.13 -1.57 0.00 0.00 179.24 177.49 1xkl h ASN 224 N 0.15 0.30 0.00 6.45 -1.24 -0.08 -3.36 115.58 117.80 1xkl h ASN 224 Ca -0.01 -0.10 -0.04 0.00 0.71 0.00 0.00 56.30 56.86 1xkl h ASN 224 Cb 1.18 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.14 1xkl h ASN 224 CO 0.10 0.31 -1.33 0.00 -1.29 0.00 0.00 177.43 175.22 1xkl n ILE 225 N -4.85 0.14 0.00 2.57 3.06 -1.05 -5.10 119.36 114.13 1xkl n ILE 225 Ca -0.03 -0.18 0.00 0.00 -2.50 0.00 0.00 62.75 60.04 1xkl n ILE 225 Cb 0.08 -0.07 0.00 0.00 0.54 0.00 0.00 39.64 40.19 1xkl n ILE 225 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1xkl n GLY 226 N 2.32 0.10 2.99 4.50 0.00 0.62 -5.08 105.19 110.63 1xkl n GLY 226 Ca -0.04 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 1xkl n GLY 226 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkl s VAL 227 N -2.90 0.11 0.29 1.61 0.11 -1.26 -4.97 120.40 113.39 1xkl s VAL 227 Ca 0.00 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 58.18 1xkl s VAL 227 Cb 0.00 -0.27 0.10 0.00 -1.53 0.00 0.00 36.38 34.68 1xkl s VAL 227 CO 0.00 -0.49 1.76 0.74 -3.33 0.00 0.00 175.10 173.79 1xkl h THR 228 N 4.64 1.24 -2.20 5.04 2.02 -1.49 -3.44 112.91 118.72 1xkl h THR 228 Ca -0.32 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 65.72 1xkl h THR 228 Cb 1.21 1.15 -0.22 0.00 -1.74 0.00 0.00 68.15 68.54 1xkl h THR 228 CO 0.41 0.36 -0.00 -0.70 0.37 0.00 0.00 175.52 175.96 1xkl s GLU 229 N -4.72 0.70 -0.20 6.66 2.12 -1.19 -5.06 118.70 117.02 1xkl s GLU 229 Ca -0.08 0.96 0.01 0.00 0.36 0.00 0.00 54.97 56.22 1xkl s GLU 229 Cb 0.14 0.28 0.03 0.00 0.26 0.00 0.00 34.13 34.84 1xkl s GLU 229 CO 0.79 -0.11 -0.15 0.00 -0.54 0.00 0.00 175.26 175.25 1xkl s ALA 230 N 0.74 2.23 0.32 6.30 0.00 -1.26 -1.61 121.76 128.47 1xkl s ALA 230 Ca -0.03 -1.28 0.08 0.00 0.00 0.00 0.00 51.96 50.73 1xkl s ALA 230 Cb -0.05 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1xkl s ALA 230 CO -0.05 -0.63 0.17 -1.50 0.00 0.00 0.00 175.76 173.74 1xkl s ILE 231 N 1.31 3.40 -0.01 0.00 2.07 0.21 -4.97 121.20 123.21 1xkl s ILE 231 Ca 0.01 -1.61 0.02 0.00 -1.41 0.00 0.00 60.65 57.66 1xkl s ILE 231 Cb -0.15 -3.07 -0.01 0.00 0.13 0.00 0.00 42.46 39.37 1xkl s ILE 231 CO -0.10 -0.23 -0.08 -0.70 -1.91 0.00 0.00 174.94 171.92 1xkl s GLU 232 N -3.86 0.62 -0.48 3.50 2.12 -1.26 -1.17 118.70 118.17 1xkl s GLU 232 Ca 0.37 -0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.42 1xkl s GLU 232 Cb -0.05 -0.60 0.13 0.00 0.26 0.00 0.00 34.13 33.87 1xkl s GLU 232 CO 0.24 0.16 0.26 0.42 -0.54 0.00 0.00 175.26 175.79 1xkl s ILE 233 N -0.19 3.13 0.24 -3.70 1.01 0.13 -4.92 121.20 116.90 1xkl s ILE 233 Ca 0.03 -2.58 -0.30 0.00 0.00 0.00 0.00 60.65 57.80 1xkl s ILE 233 Cb -0.03 -3.13 -0.10 0.00 0.01 0.00 0.00 42.46 39.21 1xkl s ILE 233 CO -0.00 -0.75 1.36 -0.75 0.00 0.00 0.00 174.94 174.80 1xkl s LYS 234 N 0.51 4.33 0.00 2.79 2.36 -1.26 -3.05 119.74 125.42 1xkl s LYS 234 Ca 0.13 2.18 0.00 0.00 -2.55 0.00 0.00 55.97 55.73 1xkl s LYS 234 Cb -0.22 -3.14 0.00 0.00 -1.05 0.00 0.00 37.83 33.42 1xkl s LYS 234 CO -0.04 -0.31 0.00 0.41 1.55 0.00 0.00 175.35 176.96 1xkl n GLY 235 N 2.09 1.43 3.78 5.54 0.00 -1.26 -4.96 105.19 111.80 1xkl n GLY 235 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.79 3.53 0.84 4.61 0.00 -1.17 -4.79 121.76 122.00 1xkl s ALA 236 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1xkl s ALA 236 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1xkl s ALA 236 CO 0.00 0.23 0.00 -0.40 0.00 0.00 0.00 175.76 175.59 1xkl n ASP 237 N 2.53 0.00 -2.29 0.00 5.68 -1.26 -1.93 116.55 119.28 1xkl n ASP 237 Ca -0.08 -0.15 -0.02 0.00 -0.50 0.00 0.00 54.79 54.04 1xkl n ASP 237 Cb 0.51 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 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 -0.27 0.00 0.00 2.11 -0.00 -1.22 -4.55 115.22 111.28 1xkl n HIS 238 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 57.72 57.42 1xkl n HIS 238 Cb 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 29.99 29.41 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 2.68 0.00 0.00 1.57 0.00 -1.26 -4.97 120.51 118.53 1xkl n ALA 240 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1xkl n ALA 240 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 0.08 0.00 4.77 -1.26 -1.25 117.00 119.33 1xkl n LEU 242 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1xkl n LEU 242 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1xkl n LEU 242 CO 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 177.39 175.97 1xkl n GLU 244 N -2.79 1.17 -0.33 0.00 -0.58 -0.38 -4.97 120.64 112.75 1xkl n GLU 244 Ca -0.04 -3.05 0.05 0.00 -0.42 0.00 0.00 57.16 53.70 1xkl n GLU 244 Cb 0.68 -1.08 0.21 0.00 -0.57 0.00 0.00 31.44 30.68 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 2.84 0.90 -0.49 3.49 0.13 -1.76 -1.65 132.00 135.46 1xkl h PRO 245 Ca -0.13 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.92 1xkl h PRO 245 Cb 1.20 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 1xkl h PRO 245 CO 0.41 0.59 0.19 1.96 -0.23 0.00 0.00 178.00 180.92 1xkl h GLN 246 N 0.92 0.74 -0.37 0.86 4.20 -1.92 -0.57 115.11 118.98 1xkl h GLN 246 Ca 0.45 -0.14 -0.11 0.00 0.06 0.00 0.00 58.65 58.91 1xkl h GLN 246 Cb 0.42 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1xkl h GLN 246 CO -0.25 0.67 -0.22 0.87 -0.67 0.00 0.00 178.83 179.23 1xkl h LYS 247 N 0.66 0.73 -0.46 1.46 1.57 -1.89 -1.72 116.57 116.93 1xkl h LYS 247 Ca 0.16 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1xkl h LYS 247 Cb 0.21 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1xkl h LYS 247 CO -0.01 0.89 0.25 1.25 -0.57 0.00 0.00 179.45 181.26 1xkl h LEU 248 N 0.64 0.58 -0.05 2.94 6.46 -0.99 0.13 115.31 125.01 1xkl h LEU 248 Ca 0.09 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1xkl h LEU 248 Cb 0.72 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1xkl h LEU 248 CO 0.06 0.51 0.03 0.00 -0.62 0.00 0.00 178.44 178.42 1xkl h ALA 250 N 1.00 0.16 -0.96 0.00 0.00 -1.09 0.86 119.26 119.24 1xkl h ALA 250 Ca 0.02 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1xkl h ALA 250 Cb 0.01 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1xkl h ALA 250 CO -0.00 -0.41 0.62 0.77 0.00 0.00 0.00 179.25 180.23 1xkl h SER 251 N 0.10 1.01 0.09 0.00 0.02 -0.47 -1.02 113.55 113.28 1xkl h SER 251 Ca 0.07 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 1xkl h SER 251 Cb 0.07 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1xkl h SER 251 CO -0.10 0.67 -0.54 -0.07 -1.14 0.00 0.00 176.83 175.65 1xkl h LEU 252 N 1.17 0.54 -0.93 5.07 3.38 -0.20 -2.21 115.31 122.13 1xkl h LEU 252 Ca 0.40 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1xkl h LEU 252 Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xkl h LEU 252 CO -0.14 0.98 -0.23 -0.07 0.09 0.00 0.00 178.44 179.06 1xkl h LEU 253 N 0.37 0.00 0.06 1.67 3.38 -0.32 -2.19 115.31 118.28 1xkl h LEU 253 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xkl h LEU 253 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xkl h LEU 253 CO 0.10 0.23 -0.03 -0.08 0.09 0.00 0.00 178.44 178.75 1xkl h GLU 254 N 0.00 -0.07 0.00 1.13 4.81 -1.03 -3.18 114.58 116.24 1xkl h GLU 254 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xkl h GLU 254 Cb 0.82 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1xkl h GLU 254 CO 0.03 0.38 0.00 0.44 -0.73 0.00 0.00 179.01 179.13 1xkl n ILE 255 N -4.77 0.29 1.00 2.32 -5.35 -0.85 -2.54 119.36 109.46 1xkl n ILE 255 Ca -0.06 0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1xkl n ILE 255 Cb 0.24 -0.88 0.00 0.00 -1.74 0.00 0.00 39.64 37.25 1xkl n ILE 255 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xkl n ALA 256 N -1.12 2.01 0.00 -1.28 0.00 -0.82 -4.14 120.51 115.15 1xkl n ALA 256 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1xkl n ALA 256 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1xkl n ALA 256 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1xkl n HIS 257 N -0.37 0.00 0.00 0.00 1.44 -1.16 -5.07 115.22 110.05 1xkl n HIS 257 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1xkl n HIS 257 Cb 0.02 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.13 1xkl n HIS 257 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70