#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl9 h LEU 4 N 0.00 0.71 -0.84 1.09 6.46 -2.05 -2.39 115.31 118.29 3kl9 h LEU 4 Ca 0.00 -0.19 0.04 0.00 -0.12 0.00 0.00 57.88 57.61 3kl9 h LEU 4 Cb 0.00 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 39.69 3kl9 h LEU 4 CO 0.00 0.71 0.54 0.15 -0.62 0.00 0.00 178.44 179.21 3kl9 h PHE 5 N 0.67 1.01 -0.72 1.25 3.04 -2.01 -1.22 116.94 118.96 3kl9 h PHE 5 Ca 0.16 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.08 3kl9 h PHE 5 Cb 0.23 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 38.38 3kl9 h PHE 5 CO 0.01 0.57 0.22 0.66 -2.02 0.00 0.00 178.31 177.75 3kl9 h SER 6 N 1.04 1.05 -0.39 0.41 4.64 -1.95 0.31 113.55 118.66 3kl9 h SER 6 Ca 0.34 -0.21 0.03 0.00 -0.47 0.00 0.00 61.79 61.48 3kl9 h SER 6 Cb 0.02 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.81 3kl9 h SER 6 CO -0.12 0.98 0.20 0.11 -0.87 0.00 0.00 176.83 177.13 3kl9 h LYS 7 N 1.06 0.39 -0.35 4.77 1.57 -0.99 -1.45 116.57 121.57 3kl9 h LYS 7 Ca 0.23 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 3kl9 h LYS 7 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3kl9 h LYS 7 CO -0.01 0.26 -0.15 0.82 -0.57 0.00 0.00 179.45 179.80 3kl9 h ILE 8 N 0.40 1.28 -0.76 1.86 2.04 -0.82 -2.94 117.51 118.57 3kl9 h ILE 8 Ca 0.16 -1.26 0.09 0.00 1.00 0.00 0.00 64.86 64.85 3kl9 h ILE 8 Cb 0.07 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3kl9 h ILE 8 CO -0.11 0.41 0.42 0.50 0.00 0.00 0.00 178.15 179.37 3kl9 h LYS 9 N 0.51 0.69 0.79 2.37 3.64 -0.23 -1.52 116.57 122.82 3kl9 h LYS 9 Ca 0.08 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3kl9 h LYS 9 Cb 0.69 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3kl9 h LYS 9 CO 0.05 0.46 -0.48 1.49 -2.27 0.00 0.00 179.45 178.70 3kl9 h GLU 10 N 0.71 -1.14 -0.74 1.90 4.81 -1.16 -2.78 114.58 116.19 3kl9 h GLU 10 Ca 0.37 0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.63 3kl9 h GLU 10 Cb 0.34 0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 3kl9 h GLU 10 CO -0.24 -0.76 0.29 -0.39 -0.73 0.00 0.00 179.01 177.17 3kl9 h VAL 11 N -1.18 1.25 0.00 0.32 -1.51 -1.39 -2.81 116.25 110.93 3kl9 h VAL 11 Ca -0.10 -0.81 -0.01 0.00 -1.23 0.00 0.00 66.70 64.55 3kl9 h VAL 11 Cb 0.94 0.40 -0.00 0.00 -2.13 0.00 0.00 31.29 30.50 3kl9 h VAL 11 CO 0.11 0.33 -0.05 0.71 -1.23 0.00 0.00 177.57 177.44 3kl9 h THR 12 N 1.07 0.15 -0.02 7.19 1.35 -1.32 -2.89 112.91 118.44 3kl9 h THR 12 Ca 0.25 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3kl9 h THR 12 Cb 0.23 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3kl9 h THR 12 CO -0.02 0.05 -0.19 -0.62 -0.25 0.00 0.00 175.52 174.49 3kl9 n GLU 13 N -3.19 1.56 -2.22 4.72 1.02 -1.05 -4.68 120.64 116.80 3kl9 n GLU 13 Ca -0.00 -1.17 -0.39 0.00 -0.02 0.00 0.00 57.16 55.58 3kl9 n GLU 13 Cb 0.30 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 3kl9 n GLU 13 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kl9 s LEU 14 N -2.24 4.27 -0.78 -4.62 1.43 -1.09 -4.99 118.68 110.65 3kl9 s LEU 14 Ca 0.26 2.48 -0.07 0.00 -1.03 0.00 0.00 54.13 55.78 3kl9 s LEU 14 Cb 0.19 -3.89 0.20 0.00 0.03 0.00 0.00 46.19 42.72 3kl9 s LEU 14 CO 0.43 -0.65 0.66 0.00 0.23 0.00 0.00 176.35 177.02 3kl9 s ALA 15 N -1.30 3.95 -0.29 4.21 0.00 -1.26 -5.00 121.76 122.07 3kl9 s ALA 15 Ca 0.55 -3.44 -0.01 0.00 0.00 0.00 0.00 51.96 49.06 3kl9 s ALA 15 Cb -0.34 -3.04 0.09 0.00 0.00 0.00 0.00 23.12 19.82 3kl9 s ALA 15 CO 0.44 -2.18 0.07 0.00 0.00 0.00 0.00 175.76 174.09 3kl9 s ALA 16 N -0.32 1.60 0.40 0.00 0.00 -1.26 -4.82 121.76 117.36 3kl9 s ALA 16 Ca 0.20 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.47 3kl9 s ALA 16 Cb -0.14 -1.56 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 3kl9 s ALA 16 CO -0.07 -1.55 0.81 0.08 0.00 0.00 0.00 175.76 175.03 3kl9 s VAL 17 N 1.58 4.69 0.16 0.00 1.01 -1.25 -0.42 120.40 126.17 3kl9 s VAL 17 Ca 0.07 0.86 -0.32 0.00 0.00 0.00 0.00 61.98 62.59 3kl9 s VAL 17 Cb -0.17 -3.69 -0.17 0.00 0.00 0.00 0.00 36.38 32.35 3kl9 s VAL 17 CO -0.20 -0.44 0.94 -1.20 0.00 0.00 0.00 175.10 174.20 3kl9 n SER 18 N -1.04 0.31 0.00 3.32 7.64 -1.24 -0.48 113.62 122.12 3kl9 n SER 18 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3kl9 n SER 18 Cb 0.54 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 3kl9 n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kl9 n GLY 19 N 1.82 2.57 2.55 0.23 0.00 -1.26 -4.86 105.19 106.23 3kl9 n GLY 19 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3kl9 n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kl9 n HIS 20 N -2.00 1.34 -0.64 1.61 -0.00 0.36 -4.92 115.22 110.97 3kl9 n HIS 20 Ca 0.00 -3.10 0.09 0.00 -0.00 0.00 0.00 57.72 54.71 3kl9 n HIS 20 Cb 0.00 -0.36 0.34 0.00 -0.00 0.00 0.00 29.99 29.97 3kl9 n HIS 20 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 3kl9 n GLU 21 N -0.05 3.67 -0.36 -0.41 0.00 -1.25 -3.87 120.64 118.38 3kl9 n GLU 21 Ca 0.17 -2.84 0.02 0.00 0.00 0.00 0.00 57.16 54.51 3kl9 n GLU 21 Cb 0.75 -1.86 0.09 0.00 0.00 0.00 0.00 31.44 30.42 3kl9 n GLU 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kl9 h ALA 22 N 3.75 0.41 -1.00 -1.84 0.00 -1.93 0.25 119.26 118.91 3kl9 h ALA 22 Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 54.91 55.32 3kl9 h ALA 22 Cb 1.43 0.87 -0.07 0.00 0.00 0.00 0.00 17.79 20.02 3kl9 h ALA 22 CO 0.23 -0.50 0.64 -1.35 0.00 0.00 0.00 179.25 178.27 3kl9 h PRO 23 N -0.00 1.09 0.03 0.00 0.11 -1.88 0.18 132.00 131.54 3kl9 h PRO 23 Ca 0.41 -0.07 -0.22 0.00 0.11 0.00 0.00 66.00 66.23 3kl9 h PRO 23 Cb 0.66 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3kl9 h PRO 23 CO -1.00 0.72 -1.00 0.28 -0.21 0.00 0.00 178.00 176.80 3kl9 h VAL 24 N 1.13 1.50 -0.53 3.15 2.07 -1.43 -2.72 116.25 119.41 3kl9 h VAL 24 Ca 0.44 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 65.20 3kl9 h VAL 24 Cb 0.24 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 3kl9 h VAL 24 CO -0.19 0.81 0.34 -0.09 0.02 0.00 0.00 177.57 178.46 3kl9 h ARG 25 N 0.11 0.71 -0.61 1.57 2.43 0.17 -2.10 114.38 116.68 3kl9 h ARG 25 Ca -0.07 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.15 3kl9 h ARG 25 Cb 1.66 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.98 3kl9 h ARG 25 CO 0.16 0.49 0.20 0.00 -1.51 0.00 0.00 179.97 179.31 3kl9 h ALA 26 N 1.18 0.77 -0.00 2.80 0.00 -0.63 -0.84 119.26 122.54 3kl9 h ALA 26 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kl9 h ALA 26 Cb -0.05 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kl9 h ALA 26 CO -0.04 -0.23 0.00 -0.92 0.00 0.00 0.00 179.25 178.06 3kl9 h TYR 27 N 0.36 0.00 -0.51 0.00 5.03 -1.13 -2.57 116.97 118.15 3kl9 h TYR 27 Ca 0.31 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.52 3kl9 h TYR 27 Cb 0.41 -0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 3kl9 h TYR 27 CO -0.19 0.00 -0.08 -0.07 -1.32 0.00 0.00 178.16 176.50 3kl9 h LEU 28 N 0.00 0.91 -0.64 2.82 3.38 -1.08 -2.37 115.31 118.33 3kl9 h LEU 28 Ca 0.00 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 57.81 3kl9 h LEU 28 Cb 0.00 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.42 3kl9 h LEU 28 CO -0.00 1.02 0.18 -0.09 0.09 0.00 0.00 178.44 179.63 3kl9 h ARG 29 N 0.83 0.31 -0.17 1.13 2.43 -1.08 0.43 114.38 118.27 3kl9 h ARG 29 Ca 0.14 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3kl9 h ARG 29 Cb 0.61 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3kl9 h ARG 29 CO 0.04 0.20 0.10 0.93 -1.51 0.00 0.00 179.97 179.73 3kl9 h GLU 30 N 0.32 0.20 0.00 0.20 5.08 -1.04 -2.41 114.58 116.94 3kl9 h GLU 30 Ca 0.34 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3kl9 h GLU 30 Cb 0.51 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3kl9 h GLU 30 CO -0.40 0.13 -0.36 0.87 -1.00 0.00 0.00 179.01 178.26 3kl9 h LYS 31 N 0.21 0.00 0.00 2.33 1.57 -0.90 -3.37 116.57 116.41 3kl9 h LYS 31 Ca 0.06 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.65 3kl9 h LYS 31 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3kl9 h LYS 31 CO -0.02 0.00 -1.07 -0.07 -0.57 0.00 0.00 179.45 177.72 3kl9 h LEU 32 N 0.00 0.00 -0.91 2.94 4.07 -0.18 -3.43 115.31 117.81 3kl9 h LEU 32 Ca 0.00 -0.58 0.20 0.00 0.08 0.00 0.00 57.88 57.59 3kl9 h LEU 32 Cb 0.82 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.44 3kl9 h LEU 32 CO 0.00 1.41 0.45 0.74 -1.08 0.00 0.00 178.44 179.96 3kl9 h THR 33 N -1.00 0.57 -0.03 0.22 2.02 -1.59 -0.78 112.91 112.32 3kl9 h THR 33 Ca -0.30 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3kl9 h THR 33 Cb 1.25 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3kl9 h THR 33 CO -0.18 0.09 0.00 -0.81 0.37 0.00 0.00 175.52 174.99 3kl9 n PRO 34 N -4.96 1.15 0.00 6.66 -0.04 -1.26 -3.58 135.00 132.97 3kl9 n PRO 34 Ca 0.22 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 3kl9 n PRO 34 Cb 0.60 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 3kl9 n PRO 34 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3kl9 n HIS 35 N -0.59 0.00 -3.95 0.54 8.25 -0.31 -5.06 115.22 114.11 3kl9 n HIS 35 Ca 0.16 -0.35 -0.10 0.00 -0.26 0.00 0.00 57.72 57.17 3kl9 n HIS 35 Cb 0.12 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.10 3kl9 n HIS 35 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kl9 s VAL 36 N -0.71 0.11 0.17 1.59 1.01 -1.18 -4.55 120.40 116.84 3kl9 s VAL 36 Ca 0.00 -0.91 0.22 0.00 0.00 0.00 0.00 61.98 61.29 3kl9 s VAL 36 Cb 0.00 -0.44 0.21 0.00 0.00 0.00 0.00 36.38 36.14 3kl9 s VAL 36 CO 0.00 -0.50 1.81 0.44 0.00 0.00 0.00 175.10 176.85 3kl9 h ASP 37 N 4.36 0.00 -4.66 3.32 3.32 -1.39 -3.46 116.42 117.91 3kl9 h ASP 37 Ca -0.32 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 3kl9 h ASP 37 Cb 1.20 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.55 3kl9 h ASP 37 CO 0.43 0.26 0.24 -0.70 -1.72 0.00 0.00 179.24 177.76 3kl9 s GLU 38 N -3.68 0.94 -0.22 3.56 2.12 -1.14 -4.99 118.70 115.28 3kl9 s GLU 38 Ca 0.00 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.72 3kl9 s GLU 38 Cb 0.11 0.45 0.05 0.00 0.26 0.00 0.00 34.13 34.99 3kl9 s GLU 38 CO 0.65 -0.26 -0.12 0.08 -0.54 0.00 0.00 175.26 175.06 3kl9 s VAL 39 N -0.89 1.91 0.24 3.70 1.01 -1.26 -0.79 120.40 124.32 3kl9 s VAL 39 Ca -0.07 -1.23 0.11 0.00 0.00 0.00 0.00 61.98 60.79 3kl9 s VAL 39 Cb -0.01 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 3kl9 s VAL 39 CO 0.07 0.16 -0.18 0.68 0.00 0.00 0.00 175.10 175.83 3kl9 s VAL 40 N 1.27 2.63 0.01 2.92 -7.23 -0.46 -4.97 120.40 114.56 3kl9 s VAL 40 Ca -0.03 -2.15 0.07 0.00 -1.81 0.00 0.00 61.98 58.06 3kl9 s VAL 40 Cb -0.17 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 3kl9 s VAL 40 CO -0.08 -0.27 -0.22 0.28 -0.31 0.00 0.00 175.10 174.50 3kl9 s THR 41 N -2.13 1.71 0.83 5.32 -1.32 -1.26 -1.14 115.64 117.65 3kl9 s THR 41 Ca 0.27 -1.03 -0.06 0.00 -1.21 0.00 0.00 61.69 59.66 3kl9 s THR 41 Cb -0.07 -1.45 0.17 0.00 -1.51 0.00 0.00 72.50 69.65 3kl9 s THR 41 CO 0.14 0.39 1.13 -0.90 -2.21 0.00 0.00 174.62 173.17 3kl9 n ASP 42 N 2.28 0.98 0.27 8.08 5.75 -0.43 -4.98 116.55 128.50 3kl9 n ASP 42 Ca -0.16 -1.95 0.12 0.00 -0.01 0.00 0.00 54.79 52.79 3kl9 n ASP 42 Cb 0.53 -0.78 0.74 0.00 -1.03 0.00 0.00 41.12 40.57 3kl9 n ASP 42 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3kl9 h GLY 43 N -0.99 0.00 -1.05 6.12 0.00 -1.90 -3.13 103.07 102.12 3kl9 h GLY 43 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3kl9 h GLY 43 CO 0.35 0.00 -0.13 1.04 0.00 0.00 0.00 176.54 177.79 3kl9 n LEU 44 N -3.82 2.02 0.00 3.11 4.32 -1.26 -4.99 117.00 116.39 3kl9 n LEU 44 Ca -0.02 -0.90 0.00 0.00 -0.02 0.00 0.00 56.01 55.07 3kl9 n LEU 44 Cb 0.19 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 3kl9 n LEU 44 CO 0.30 0.37 0.00 0.61 -1.22 0.00 0.00 177.39 177.45 3kl9 n GLY 45 N 1.00 1.28 3.75 -0.72 0.00 -1.18 -4.91 105.19 104.41 3kl9 n GLY 45 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3kl9 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl9 s GLY 46 N -2.00 3.10 -0.05 -0.02 0.00 -1.26 -4.75 107.32 102.33 3kl9 s GLY 46 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 44.72 45.46 3kl9 s GLY 46 CO 0.00 1.30 -0.10 -0.26 0.00 0.00 0.00 173.10 174.04 3kl9 s ILE 47 N -1.18 3.41 -0.04 0.90 -5.25 -1.20 -1.31 121.20 116.52 3kl9 s ILE 47 Ca 0.42 -0.61 -0.03 0.00 -0.99 0.00 0.00 60.65 59.44 3kl9 s ILE 47 Cb -0.28 -2.38 0.02 0.00 2.95 0.00 0.00 42.46 42.77 3kl9 s ILE 47 CO 0.35 0.58 0.11 -0.36 -1.79 0.00 0.00 174.94 173.83 3kl9 s PHE 48 N -0.79 -0.11 -0.07 1.37 0.40 -0.29 -2.15 117.98 116.34 3kl9 s PHE 48 Ca 0.12 0.32 -0.21 0.00 -0.60 0.00 0.00 56.93 56.56 3kl9 s PHE 48 Cb -0.11 -0.02 -0.04 0.00 0.51 0.00 0.00 43.02 43.36 3kl9 s PHE 48 CO 0.01 -0.09 0.62 0.20 0.70 0.00 0.00 175.22 176.66 3kl9 s GLY 49 N 0.47 2.56 -0.19 4.36 0.00 0.34 -1.35 107.32 113.51 3kl9 s GLY 49 Ca -0.03 0.03 -0.09 0.00 0.00 0.00 0.00 44.72 44.63 3kl9 s GLY 49 CO -0.02 0.98 0.11 -0.42 0.00 0.00 0.00 173.10 173.75 3kl9 s ILE 50 N 0.53 5.22 -0.35 0.90 1.01 0.03 -0.36 121.20 128.19 3kl9 s ILE 50 Ca 0.33 0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.13 3kl9 s ILE 50 Cb -0.17 -3.36 0.10 0.00 0.01 0.00 0.00 42.46 39.04 3kl9 s ILE 50 CO 0.16 0.47 0.07 -0.75 0.00 0.00 0.00 174.94 174.88 3kl9 s LYS 51 N 0.21 1.61 0.45 2.79 2.20 0.14 -1.02 119.74 126.13 3kl9 s LYS 51 Ca 0.07 -1.84 -0.24 0.00 -0.36 0.00 0.00 55.97 53.60 3kl9 s LYS 51 Cb -0.11 -3.26 -0.07 0.00 -1.51 0.00 0.00 37.83 32.87 3kl9 s LYS 51 CO -0.01 -0.94 1.27 -1.01 -0.36 0.00 0.00 175.35 174.30 3kl9 s HIS 52 N 0.95 2.72 0.24 4.03 3.76 -1.26 -1.53 115.29 124.20 3kl9 s HIS 52 Ca 0.09 1.44 0.07 0.00 -0.15 0.00 0.00 55.06 56.52 3kl9 s HIS 52 Cb -0.20 -3.61 -0.04 0.00 1.11 0.00 0.00 32.58 29.85 3kl9 s HIS 52 CO -0.07 -2.09 0.15 0.45 -0.85 0.00 0.00 174.74 172.33 3kl9 s SER 53 N -0.98 5.34 0.00 1.40 0.15 -1.26 -4.86 113.70 113.49 3kl9 s SER 53 Ca 0.62 -0.30 0.23 0.00 0.70 0.00 0.00 55.95 57.20 3kl9 s SER 53 Cb -0.36 -1.31 0.22 0.00 -1.71 0.00 0.00 66.02 62.87 3kl9 s SER 53 CO 0.44 -0.01 1.21 -0.62 1.20 0.00 0.00 173.24 175.46 3kl9 n GLU 54 N -1.00 0.12 -2.63 5.44 1.02 -1.26 -4.89 120.64 117.44 3kl9 n GLU 54 Ca -0.08 -0.08 -0.41 0.00 -0.02 0.00 0.00 57.16 56.57 3kl9 n GLU 54 Cb 0.58 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 3kl9 n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kl9 s ALA 55 N -2.94 3.28 0.19 0.62 0.00 -1.26 -4.96 121.76 116.69 3kl9 s ALA 55 Ca 0.11 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.64 3kl9 s ALA 55 Cb 0.17 -3.33 0.11 0.00 0.00 0.00 0.00 23.12 20.08 3kl9 s ALA 55 CO 0.75 -0.15 1.77 -0.39 0.00 0.00 0.00 175.76 177.74 3kl9 h VAL 56 N 4.11 1.23 -0.88 0.00 -1.51 -1.98 -2.84 116.25 114.38 3kl9 h VAL 56 Ca -0.43 -0.67 -0.51 0.00 -1.23 0.00 0.00 66.70 63.86 3kl9 h VAL 56 Cb 1.21 0.41 -0.28 0.00 -2.13 0.00 0.00 31.29 30.50 3kl9 h VAL 56 CO 0.73 0.27 0.51 -0.67 -1.23 0.00 0.00 177.57 177.19 3kl9 n ASP 57 N -4.44 4.74 -4.68 4.19 2.03 -1.26 -4.99 116.55 112.15 3kl9 n ASP 57 Ca 0.05 -3.70 -0.42 0.00 0.52 0.00 0.00 54.79 51.24 3kl9 n ASP 57 Cb 0.14 -0.82 -0.03 0.00 -0.72 0.00 0.00 41.12 39.69 3kl9 n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kl9 s ALA 58 N -3.46 3.68 0.26 -1.67 0.00 -1.07 -4.62 121.76 114.87 3kl9 s ALA 58 Ca 0.57 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 53.57 3kl9 s ALA 58 Cb 0.47 -3.78 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 3kl9 s ALA 58 CO 0.05 -1.33 1.16 -1.25 0.00 0.00 0.00 175.76 174.39 3kl9 s PRO 59 N 3.37 4.56 -0.04 0.00 0.04 -1.26 -4.37 135.00 137.30 3kl9 s PRO 59 Ca 0.82 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.44 3kl9 s PRO 59 Cb -0.43 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 3kl9 s PRO 59 CO 0.37 0.06 1.47 1.03 0.04 0.00 0.00 177.00 179.98 3kl9 s ARG 60 N -1.10 4.24 -0.12 4.56 0.52 -1.26 -1.38 118.95 124.40 3kl9 s ARG 60 Ca 0.48 2.01 0.02 0.00 -0.52 0.00 0.00 55.73 57.71 3kl9 s ARG 60 Cb -0.33 -3.73 -0.01 0.00 0.52 0.00 0.00 34.95 31.40 3kl9 s ARG 60 CO 0.41 -0.69 -0.19 0.08 0.02 0.00 0.00 175.30 174.93 3kl9 s VAL 61 N 3.10 2.51 -0.21 3.52 1.01 0.27 -0.89 120.40 129.71 3kl9 s VAL 61 Ca 0.66 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 3kl9 s VAL 61 Cb -0.31 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3kl9 s VAL 61 CO 0.26 0.54 0.01 -0.22 0.00 0.00 0.00 175.10 175.69 3kl9 s LEU 62 N 0.44 3.27 -0.16 3.92 2.96 -0.85 -0.30 118.68 127.95 3kl9 s LEU 62 Ca -0.13 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3kl9 s LEU 62 Cb -0.17 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3kl9 s LEU 62 CO 0.06 0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.31 3kl9 s VAL 63 N 1.19 2.99 -0.12 1.68 1.01 0.14 -0.85 120.40 126.44 3kl9 s VAL 63 Ca 0.03 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 3kl9 s VAL 63 Cb -0.14 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 33.99 3kl9 s VAL 63 CO 0.02 0.50 0.30 0.00 0.00 0.00 0.00 175.10 175.91 3kl9 s ALA 64 N 0.78 -0.73 0.00 5.51 0.00 -0.58 -1.14 121.76 125.60 3kl9 s ALA 64 Ca -0.05 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3kl9 s ALA 64 Cb -0.15 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.33 3kl9 s ALA 64 CO 0.01 -0.19 0.00 -1.13 0.00 0.00 0.00 175.76 174.45 3kl9 n SER 65 N 3.72 0.12 -3.88 0.00 3.41 -0.72 -0.50 113.62 115.78 3kl9 n SER 65 Ca -0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.30 3kl9 n SER 65 Cb 0.55 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 3kl9 n SER 65 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3kl9 s HIS 66 N 2.05 0.01 0.04 7.33 -3.43 -1.26 0.80 115.29 120.82 3kl9 s HIS 66 Ca 0.00 -0.01 -0.01 0.00 -0.80 0.00 0.00 55.06 54.25 3kl9 s HIS 66 Cb 0.00 -0.03 -0.26 0.00 -1.43 0.00 0.00 32.58 30.85 3kl9 s HIS 66 CO 0.00 -0.14 0.98 0.52 -2.00 0.00 0.00 174.74 174.10 3kl9 h MET 67 N 5.29 0.20 -7.16 -0.38 2.86 -1.11 -3.42 114.93 111.21 3kl9 h MET 67 Ca -0.28 -0.34 -0.49 0.00 -2.06 0.00 0.00 59.70 56.53 3kl9 h MET 67 Cb 1.20 0.12 0.07 0.00 0.06 0.00 0.00 31.60 33.06 3kl9 h MET 67 CO 0.43 1.07 0.39 0.16 1.06 0.00 0.00 176.91 180.02 3kl9 s ASP 68 N -6.91 5.70 0.34 1.22 -4.77 -1.26 -4.84 116.67 106.15 3kl9 s ASP 68 Ca -0.06 1.93 0.06 0.00 -3.30 0.00 0.00 52.55 51.18 3kl9 s ASP 68 Cb 0.07 -2.55 -0.07 0.00 -1.09 0.00 0.00 42.92 39.29 3kl9 s ASP 68 CO 0.85 -1.23 0.01 -1.83 0.70 0.00 0.00 175.17 173.68 3kl9 s GLU 69 N -3.84 1.74 0.47 2.11 -1.05 0.44 -4.30 118.70 114.27 3kl9 s GLU 69 Ca 0.66 -1.95 -0.22 0.00 -0.15 0.00 0.00 54.97 53.31 3kl9 s GLU 69 Cb -0.18 -1.21 -0.08 0.00 -0.44 0.00 0.00 34.13 32.22 3kl9 s GLU 69 CO 0.34 -0.09 1.09 0.14 0.95 0.00 0.00 175.26 177.69 3kl9 s VAL 70 N -3.02 3.49 0.00 1.83 -7.23 -1.26 -3.63 120.40 110.58 3kl9 s VAL 70 Ca 0.35 1.03 0.00 0.00 -1.81 0.00 0.00 61.98 61.54 3kl9 s VAL 70 Cb 0.08 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.55 3kl9 s VAL 70 CO 0.16 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 3kl9 n GLY 71 N 0.14 1.44 3.32 2.32 0.00 -0.49 -4.53 105.19 107.40 3kl9 n GLY 71 Ca 0.08 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 3kl9 n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl9 s PHE 72 N -2.28 1.53 -0.01 1.61 0.40 -0.22 -1.02 117.98 117.99 3kl9 s PHE 72 Ca 0.00 -1.03 0.01 0.00 -0.60 0.00 0.00 56.93 55.31 3kl9 s PHE 72 Cb 0.00 -0.90 0.01 0.00 0.51 0.00 0.00 43.02 42.63 3kl9 s PHE 72 CO 0.00 -0.16 -0.03 1.41 0.70 0.00 0.00 175.22 177.14 3kl9 s MET 73 N -3.93 0.34 -0.06 0.44 1.75 -0.73 0.45 119.30 117.56 3kl9 s MET 73 Ca 0.31 -0.09 -0.30 0.00 -1.25 0.00 0.00 55.69 54.37 3kl9 s MET 73 Cb 0.07 -0.37 -0.06 0.00 2.84 0.00 0.00 34.83 37.31 3kl9 s MET 73 CO 0.10 0.03 1.68 0.08 -0.65 0.00 0.00 175.02 176.26 3kl9 s VAL 74 N 0.21 3.55 -0.08 10.11 1.01 -0.57 -1.17 120.40 133.46 3kl9 s VAL 74 Ca -0.02 0.66 0.11 0.00 0.00 0.00 0.00 61.98 62.73 3kl9 s VAL 74 Cb -0.05 -3.43 -0.24 0.00 0.00 0.00 0.00 36.38 32.66 3kl9 s VAL 74 CO -0.00 -0.07 0.53 -1.54 0.00 0.00 0.00 175.10 174.02 3kl9 n SER 75 N 7.24 0.89 -3.54 3.32 3.41 -0.54 -0.14 113.62 124.27 3kl9 n SER 75 Ca 0.18 0.33 -0.14 0.00 -0.26 0.00 0.00 58.87 58.98 3kl9 n SER 75 Cb 0.43 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 3kl9 n SER 75 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3kl9 s GLU 76 N -2.58 1.09 -0.23 4.33 -1.05 -1.17 -4.85 118.70 114.24 3kl9 s GLU 76 Ca -0.08 -0.27 -0.08 0.00 -0.15 0.00 0.00 54.97 54.39 3kl9 s GLU 76 Cb 0.08 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.23 3kl9 s GLU 76 CO 0.82 -0.41 0.10 0.42 0.95 0.00 0.00 175.26 177.14 3kl9 s ILE 77 N -2.70 4.77 0.62 1.83 1.01 -1.26 -2.60 121.20 122.87 3kl9 s ILE 77 Ca -0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.44 3kl9 s ILE 77 Cb -0.00 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3kl9 s ILE 77 CO -0.04 0.36 1.05 -0.54 0.00 0.00 0.00 174.94 175.77 3kl9 s LYS 78 N 1.22 3.24 0.60 2.79 -0.14 0.23 -4.95 119.74 122.73 3kl9 s LYS 78 Ca 0.05 1.12 0.34 0.00 -1.36 0.00 0.00 55.97 56.12 3kl9 s LYS 78 Cb -0.14 -2.03 1.94 0.00 -1.68 0.00 0.00 37.83 35.92 3kl9 s LYS 78 CO 0.04 -0.87 2.25 -1.35 -0.76 0.00 0.00 175.35 174.67 3kl9 h PRO 79 N 0.12 0.00 -0.11 -1.68 0.11 -1.97 -1.92 132.00 126.56 3kl9 h PRO 79 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kl9 h PRO 79 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kl9 h PRO 79 CO 0.57 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3kl9 n ASP 80 N -3.55 0.81 0.00 -2.05 5.75 -1.26 -1.64 116.55 114.60 3kl9 n ASP 80 Ca -0.03 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 3kl9 n ASP 80 Cb 0.11 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 3kl9 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kl9 n GLY 81 N 0.87 1.32 3.90 6.12 0.00 -0.72 -3.98 105.19 112.69 3kl9 n GLY 81 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3kl9 n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kl9 s THR 82 N -2.44 2.00 0.03 2.61 -4.23 -1.26 -4.62 115.64 107.74 3kl9 s THR 82 Ca 0.00 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 3kl9 s THR 82 Cb 0.00 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 3kl9 s THR 82 CO 0.00 0.00 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.49 3kl9 s PHE 83 N -3.59 2.03 0.09 3.99 0.08 0.73 -0.60 117.98 120.71 3kl9 s PHE 83 Ca 0.63 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 57.32 3kl9 s PHE 83 Cb -0.11 -1.23 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 3kl9 s PHE 83 CO 0.50 0.08 0.08 1.03 -0.10 0.00 0.00 175.22 176.81 3kl9 s ARG 84 N -1.08 2.86 0.41 0.44 1.81 -1.07 -1.34 118.95 120.97 3kl9 s ARG 84 Ca 0.09 -0.72 0.04 0.00 -1.72 0.00 0.00 55.73 53.42 3kl9 s ARG 84 Cb -0.09 -2.70 -0.04 0.00 -0.45 0.00 0.00 34.95 31.66 3kl9 s ARG 84 CO 0.01 0.55 0.06 0.14 -0.68 0.00 0.00 175.30 175.39 3kl9 s VAL 85 N -1.42 1.16 0.10 3.52 -7.23 -1.26 -1.47 120.40 113.80 3kl9 s VAL 85 Ca 0.29 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.54 3kl9 s VAL 85 Cb -0.12 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 3kl9 s VAL 85 CO 0.22 0.00 -0.20 0.54 -0.31 0.00 0.00 175.10 175.35 3kl9 s VAL 86 N -3.07 1.66 0.28 1.32 0.11 -0.31 -4.33 120.40 116.05 3kl9 s VAL 86 Ca 0.26 -1.55 -0.28 0.00 -2.93 0.00 0.00 61.98 57.47 3kl9 s VAL 86 Cb 0.06 -1.53 -0.09 0.00 -1.53 0.00 0.00 36.38 33.28 3kl9 s VAL 86 CO 0.13 -0.10 0.95 -1.83 -3.33 0.00 0.00 175.10 170.92 3kl9 s GLU 87 N -1.97 4.72 -0.33 1.54 -1.05 -1.26 -1.78 118.70 118.58 3kl9 s GLU 87 Ca 0.06 1.43 0.01 0.00 -0.15 0.00 0.00 54.97 56.32 3kl9 s GLU 87 Cb -0.10 -3.05 0.08 0.00 -0.44 0.00 0.00 34.13 30.62 3kl9 s GLU 87 CO 0.04 0.39 0.03 0.42 0.95 0.00 0.00 175.26 177.10 3kl9 s ILE 88 N -1.38 2.60 0.00 1.83 1.01 -0.19 -4.88 121.20 120.19 3kl9 s ILE 88 Ca 0.45 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 59.18 3kl9 s ILE 88 Cb -0.23 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.53 3kl9 s ILE 88 CO 0.29 -0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.46 3kl9 n GLY 89 N 4.44 -0.66 3.57 6.18 0.00 -1.26 -1.39 105.19 116.07 3kl9 n GLY 89 Ca -0.05 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 3kl9 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl9 s GLY 90 N -2.74 1.67 -0.10 -0.02 0.00 -1.26 -4.85 107.32 100.02 3kl9 s GLY 90 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 44.72 43.90 3kl9 s GLY 90 CO 0.00 1.68 0.03 -0.98 0.00 0.00 0.00 173.10 173.83 3kl9 s TRP 91 N 3.02 3.23 0.02 1.90 0.52 -1.26 -4.94 118.94 121.43 3kl9 s TRP 91 Ca 0.29 0.21 -0.30 0.00 0.02 0.00 0.00 56.10 56.32 3kl9 s TRP 91 Cb -0.13 -1.84 -0.05 0.00 -1.15 0.00 0.00 33.47 30.29 3kl9 s TRP 91 CO 0.17 0.46 1.29 1.21 0.02 0.00 0.00 176.95 180.11 3kl9 s ASN 92 N -0.75 6.97 0.59 2.95 2.47 -1.26 -4.93 114.94 120.97 3kl9 s ASN 92 Ca 0.12 2.03 0.31 0.00 0.42 0.00 0.00 52.86 55.74 3kl9 s ASN 92 Cb -0.12 -2.57 1.83 0.00 -1.45 0.00 0.00 41.25 38.94 3kl9 s ASN 92 CO 0.02 -0.60 2.24 -0.65 -3.72 0.00 0.00 177.10 174.40 3kl9 h PRO 93 N 7.30 0.00 -0.13 0.43 0.11 -1.99 -2.64 132.00 135.09 3kl9 h PRO 93 Ca -0.39 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.76 3kl9 h PRO 93 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3kl9 h PRO 93 CO 0.86 0.01 0.11 0.52 -0.21 0.00 0.00 178.00 179.30 3kl9 h MET 94 N 0.00 0.00 -0.01 1.05 2.86 -1.94 -2.95 114.93 113.95 3kl9 h MET 94 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kl9 h MET 94 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3kl9 h MET 94 CO 0.00 0.00 -0.37 1.33 1.06 0.00 0.00 176.91 178.94 3kl9 n VAL 95 N -4.16 0.00 0.09 -2.22 0.24 -0.99 -4.59 118.33 106.70 3kl9 n VAL 95 Ca 0.00 -0.32 -0.04 0.00 -2.04 0.00 0.00 64.34 61.94 3kl9 n VAL 95 Cb 0.23 1.16 -0.01 0.00 -1.47 0.00 0.00 33.84 33.75 3kl9 n VAL 95 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3kl9 h VAL 96 N 1.54 1.56 0.00 3.34 2.07 -1.61 -3.44 116.25 119.71 3kl9 h VAL 96 Ca 0.00 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.60 3kl9 h VAL 96 Cb 0.51 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 3kl9 h VAL 96 CO 0.00 0.82 0.00 -1.20 0.02 0.00 0.00 177.57 177.21 3kl9 n SER 97 N -3.48 0.00 -4.05 0.57 7.64 -1.26 -3.90 113.62 109.14 3kl9 n SER 97 Ca -0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 3kl9 n SER 97 Cb 0.82 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 3kl9 n SER 97 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3kl9 n SER 98 N 0.00 4.78 -4.46 6.43 7.64 -1.25 -4.12 113.62 122.64 3kl9 n SER 98 Ca 0.00 -2.99 -0.28 0.00 1.01 0.00 0.00 58.87 56.61 3kl9 n SER 98 Cb 0.00 -1.58 -0.11 0.00 -1.01 0.00 0.00 64.21 61.50 3kl9 n SER 98 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3kl9 s GLN 99 N 1.91 1.65 -0.09 1.43 -1.52 -1.24 -4.95 119.66 116.85 3kl9 s GLN 99 Ca 0.44 -1.36 -0.10 0.00 -1.95 0.00 0.00 55.36 52.38 3kl9 s GLN 99 Cb 0.07 -1.97 -0.05 0.00 -0.22 0.00 0.00 33.01 30.85 3kl9 s GLN 99 CO -0.01 0.43 0.24 0.50 -0.25 0.00 0.00 175.29 176.21 3kl9 s ARG 100 N -2.44 3.73 0.37 2.91 3.52 -1.26 -1.53 118.95 124.25 3kl9 s ARG 100 Ca 0.19 0.06 0.04 0.00 -0.13 0.00 0.00 55.73 55.90 3kl9 s ARG 100 Cb -0.09 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 30.03 3kl9 s ARG 100 CO 0.10 0.66 0.17 -0.06 -0.81 0.00 0.00 175.30 175.36 3kl9 s PHE 101 N -0.77 1.74 -0.16 5.12 0.08 0.11 -1.04 117.98 123.05 3kl9 s PHE 101 Ca 0.17 -1.39 -0.01 0.00 0.12 0.00 0.00 56.93 55.83 3kl9 s PHE 101 Cb -0.13 -0.99 0.04 0.00 -0.57 0.00 0.00 43.02 41.37 3kl9 s PHE 101 CO 0.06 -0.48 -0.05 0.21 -0.10 0.00 0.00 175.22 174.87 3kl9 s LYS 102 N -3.68 1.37 -0.35 0.44 2.20 0.23 -2.84 119.74 117.11 3kl9 s LYS 102 Ca 0.31 -0.49 -0.22 0.00 -0.36 0.00 0.00 55.97 55.22 3kl9 s LYS 102 Cb 0.03 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.39 3kl9 s LYS 102 CO 0.18 -0.43 0.69 -1.17 -0.36 0.00 0.00 175.35 174.26 3kl9 s LEU 103 N 1.66 4.19 -0.32 5.43 0.20 0.51 -0.41 118.68 129.94 3kl9 s LEU 103 Ca 0.01 0.29 -0.19 0.00 0.69 0.00 0.00 54.13 54.92 3kl9 s LEU 103 Cb -0.15 -2.89 -0.01 0.00 -0.43 0.00 0.00 46.19 42.71 3kl9 s LEU 103 CO -0.08 -0.63 0.58 -0.76 -0.29 0.00 0.00 176.35 175.18 3kl9 s LEU 104 N 2.84 4.20 0.40 -0.68 1.02 -0.11 -1.88 118.68 124.47 3kl9 s LEU 104 Ca 0.27 0.28 -0.04 0.00 0.02 0.00 0.00 54.13 54.66 3kl9 s LEU 104 Cb -0.14 -2.72 -0.04 0.00 0.02 0.00 0.00 46.19 43.31 3kl9 s LEU 104 CO 0.15 -0.46 0.68 0.28 0.02 0.00 0.00 176.35 177.01 3kl9 s THR 105 N 2.52 4.96 0.19 5.49 -1.32 -0.76 -3.55 115.64 123.17 3kl9 s THR 105 Ca 0.23 0.07 -0.06 0.00 -1.21 0.00 0.00 61.69 60.72 3kl9 s THR 105 Cb -0.15 -3.82 0.01 0.00 -1.51 0.00 0.00 72.50 67.03 3kl9 s THR 105 CO 0.12 -0.63 1.58 -0.09 -2.21 0.00 0.00 174.62 173.39 3kl9 h ARG 106 N 0.79 0.78 0.00 7.08 2.43 -1.89 -3.09 114.38 120.48 3kl9 h ARG 106 Ca -0.48 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.33 3kl9 h ARG 106 Cb 1.20 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3kl9 h ARG 106 CO 0.63 0.98 0.00 -0.40 -1.51 0.00 0.00 179.97 179.67 3kl9 n ASP 107 N -4.08 0.00 0.00 -3.80 5.68 -1.26 -4.89 116.55 108.20 3kl9 n ASP 107 Ca -0.01 -0.46 0.00 0.00 -0.50 0.00 0.00 54.79 53.82 3kl9 n ASP 107 Cb 0.48 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 3kl9 n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kl9 n GLY 108 N 0.58 1.36 3.74 6.12 0.00 -1.17 -5.11 105.19 110.71 3kl9 n GLY 108 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3kl9 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kl9 s HIS 109 N -1.54 2.27 -0.33 1.61 3.76 -1.26 -4.76 115.29 115.03 3kl9 s HIS 109 Ca 0.00 1.55 0.03 0.00 -0.15 0.00 0.00 55.06 56.49 3kl9 s HIS 109 Cb 0.00 -3.45 0.09 0.00 1.11 0.00 0.00 32.58 30.33 3kl9 s HIS 109 CO 0.00 -2.35 0.03 -1.21 -0.85 0.00 0.00 174.74 170.37 3kl9 s GLU 110 N -3.66 1.76 -0.17 1.40 2.02 -1.26 -1.83 118.70 116.97 3kl9 s GLU 110 Ca 0.75 -1.72 -0.07 0.00 0.02 0.00 0.00 54.97 53.95 3kl9 s GLU 110 Cb -0.29 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 3kl9 s GLU 110 CO 0.39 -0.86 0.07 -1.50 0.02 0.00 0.00 175.26 173.38 3kl9 s ILE 111 N 0.99 4.85 -0.02 -1.63 1.10 -0.78 -4.92 121.20 120.79 3kl9 s ILE 111 Ca 0.06 -0.02 -0.30 0.00 -0.51 0.00 0.00 60.65 59.88 3kl9 s ILE 111 Cb -0.20 -3.16 -0.05 0.00 0.15 0.00 0.00 42.46 39.20 3kl9 s ILE 111 CO -0.06 0.49 1.31 -2.84 -2.11 0.00 0.00 174.94 171.73 3kl9 s PRO 112 N 0.08 4.32 -0.02 3.50 0.02 -1.26 -0.36 135.00 141.28 3kl9 s PRO 112 Ca 0.06 1.83 0.04 0.00 0.02 0.00 0.00 61.00 62.95 3kl9 s PRO 112 Cb -0.12 -3.55 -0.01 0.00 0.02 0.00 0.00 34.50 30.84 3kl9 s PRO 112 CO 0.01 -0.51 -0.13 0.08 -0.33 0.00 0.00 177.00 176.12 3kl9 s VAL 113 N 2.26 1.02 0.22 3.83 1.01 -1.13 -4.52 120.40 123.09 3kl9 s VAL 113 Ca 0.60 -0.54 0.11 0.00 0.00 0.00 0.00 61.98 62.16 3kl9 s VAL 113 Cb -0.28 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 3kl9 s VAL 113 CO 0.25 0.29 -0.22 0.27 0.00 0.00 0.00 175.10 175.69 3kl9 s ILE 114 N -0.19 2.33 -0.09 2.22 -4.36 -0.21 0.05 121.20 120.96 3kl9 s ILE 114 Ca 0.03 -2.14 -0.09 0.00 -0.26 0.00 0.00 60.65 58.19 3kl9 s ILE 114 Cb -0.06 -2.15 -0.04 0.00 1.25 0.00 0.00 42.46 41.45 3kl9 s ILE 114 CO -0.00 -0.23 0.21 -0.94 0.24 0.00 0.00 174.94 174.22 3kl9 s SER 115 N -2.93 6.50 -0.08 4.36 1.04 -0.58 0.36 113.70 122.37 3kl9 s SER 115 Ca 0.23 0.60 -0.00 0.00 0.48 0.00 0.00 55.95 57.26 3kl9 s SER 115 Cb -0.07 -2.12 -0.00 0.00 0.10 0.00 0.00 66.02 63.93 3kl9 s SER 115 CO 0.11 0.39 0.01 1.23 0.98 0.00 0.00 173.24 175.96 3kl9 h GLY 116 N 4.90 -0.01 0.00 7.32 0.00 -0.96 -3.28 103.07 111.04 3kl9 h GLY 116 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3kl9 h GLY 116 CO 0.59 -0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.58 3kl9 n PRO 132 N -4.36 0.00 -4.08 4.80 -0.04 -1.26 -4.66 135.00 125.41 3kl9 n PRO 132 Ca -0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 3kl9 n PRO 132 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 3kl9 n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kl9 s ALA 133 N 0.00 3.22 0.28 0.55 0.00 -1.26 -4.90 121.76 119.65 3kl9 s ALA 133 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 3kl9 s ALA 133 Cb 0.00 -1.84 0.65 0.00 0.00 0.00 0.00 23.12 21.93 3kl9 s ALA 133 CO 0.00 0.05 1.64 0.82 0.00 0.00 0.00 175.76 178.27 3kl9 h ILE 134 N 5.10 0.31 0.00 0.00 2.04 -1.97 0.71 117.51 123.71 3kl9 h ILE 134 Ca -0.35 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3kl9 h ILE 134 Cb 1.18 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3kl9 h ILE 134 CO 0.65 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.83 3kl9 n ALA 135 N -2.78 1.38 1.02 1.87 0.00 -1.26 -1.90 120.51 118.84 3kl9 n ALA 135 Ca 0.20 0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.89 3kl9 n ALA 135 Cb 0.64 -1.36 0.06 0.00 0.00 0.00 0.00 19.45 18.78 3kl9 n ALA 135 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kl9 n ASP 136 N -2.28 0.96 -4.72 0.00 8.00 0.25 -4.68 116.55 114.07 3kl9 n ASP 136 Ca 0.00 -0.81 -0.41 0.00 0.71 0.00 0.00 54.79 54.28 3kl9 n ASP 136 Cb 0.14 0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 41.82 3kl9 n ASP 136 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kl9 s ILE 137 N -2.89 4.25 -0.14 0.53 1.01 -0.80 -4.99 121.20 118.18 3kl9 s ILE 137 Ca 0.12 1.77 -0.29 0.00 0.00 0.00 0.00 60.65 62.24 3kl9 s ILE 137 Cb 0.17 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 3kl9 s ILE 137 CO 0.75 0.22 1.07 -0.69 0.00 0.00 0.00 174.94 176.29 3kl9 s VAL 138 N 0.37 4.63 -0.16 2.92 1.01 -1.26 -4.60 120.40 123.31 3kl9 s VAL 138 Ca 0.52 1.92 -0.04 0.00 0.00 0.00 0.00 61.98 64.38 3kl9 s VAL 138 Cb -0.26 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 3kl9 s VAL 138 CO 0.31 -0.06 -0.02 -0.36 0.00 0.00 0.00 175.10 174.97 3kl9 s PHE 139 N 2.50 3.06 -0.05 5.22 0.40 -0.45 -0.53 117.98 128.13 3kl9 s PHE 139 Ca 0.49 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.59 3kl9 s PHE 139 Cb -0.19 -1.97 0.02 0.00 0.51 0.00 0.00 43.02 41.40 3kl9 s PHE 139 CO 0.15 0.00 -0.05 0.34 0.70 0.00 0.00 175.22 176.37 3kl9 s ASP 140 N 0.33 1.04 0.00 1.36 3.68 0.16 -0.19 116.67 123.04 3kl9 s ASP 140 Ca -0.03 -0.14 0.12 0.00 2.13 0.00 0.00 52.55 54.63 3kl9 s ASP 140 Cb -0.14 -0.48 0.32 0.00 -1.45 0.00 0.00 42.92 41.18 3kl9 s ASP 140 CO 0.03 -0.06 1.26 0.61 0.13 0.00 0.00 175.17 177.13 3kl9 n GLY 141 N 4.10 2.51 2.35 2.66 0.00 -1.26 -1.04 105.19 114.51 3kl9 n GLY 141 Ca -0.24 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 3kl9 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl9 n GLY 142 N 0.64 0.10 3.89 -0.02 0.00 -1.26 -4.95 105.19 103.59 3kl9 n GLY 142 Ca 0.13 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3kl9 n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl9 s PHE 143 N -2.83 3.55 0.11 1.61 0.40 -1.26 -5.02 117.98 114.55 3kl9 s PHE 143 Ca 0.14 0.54 -0.18 0.00 -0.60 0.00 0.00 56.93 56.83 3kl9 s PHE 143 Cb -0.06 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.45 3kl9 s PHE 143 CO 0.17 0.57 1.62 0.00 0.70 0.00 0.00 175.22 178.29 3kl9 h ALA 144 N 3.65 0.41 -2.89 5.36 0.00 -1.92 -3.41 119.26 120.46 3kl9 h ALA 144 Ca -0.49 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.30 3kl9 h ALA 144 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3kl9 h ALA 144 CO 0.69 0.05 0.33 0.16 0.00 0.00 0.00 179.25 180.48 3kl9 s ASP 145 N -5.83 -0.03 0.19 0.00 3.84 -1.26 -4.37 116.67 109.21 3kl9 s ASP 145 Ca -0.13 -0.97 -0.17 0.00 -0.00 0.00 0.00 52.55 51.28 3kl9 s ASP 145 Cb 0.09 0.76 0.16 0.00 -1.38 0.00 0.00 42.92 42.55 3kl9 s ASP 145 CO 0.74 -1.50 1.62 0.50 -0.00 0.00 0.00 175.17 176.54 3kl9 h LYS 146 N 2.00 -0.07 -0.81 2.11 3.64 -1.36 -1.81 116.57 120.27 3kl9 h LYS 146 Ca -0.29 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.23 3kl9 h LYS 146 Cb 1.24 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.99 3kl9 h LYS 146 CO 0.37 -0.05 0.40 0.00 -2.27 0.00 0.00 179.45 177.90 3kl9 h ALA 147 N 1.35 1.20 -0.39 5.00 0.00 -1.91 -0.79 119.26 123.72 3kl9 h ALA 147 Ca 0.25 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3kl9 h ALA 147 Cb 0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kl9 h ALA 147 CO -0.58 -0.10 0.03 1.49 0.00 0.00 0.00 179.25 180.09 3kl9 h GLU 148 N 0.59 0.66 -0.32 0.00 4.81 -1.74 -0.74 114.58 117.84 3kl9 h GLU 148 Ca 0.44 -0.19 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 3kl9 h GLU 148 Cb 0.61 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 3kl9 h GLU 148 CO -0.36 0.74 0.06 0.00 -0.73 0.00 0.00 179.01 178.72 3kl9 h ALA 149 N 0.90 0.33 -0.88 2.92 0.00 -0.96 -2.28 119.26 119.29 3kl9 h ALA 149 Ca 0.11 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3kl9 h ALA 149 Cb 0.42 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3kl9 h ALA 149 CO 0.01 -0.35 0.58 0.93 0.00 0.00 0.00 179.25 180.42 3kl9 h GLU 150 N 0.17 1.11 -0.20 0.00 5.08 -0.95 -2.12 114.58 117.67 3kl9 h GLU 150 Ca 0.15 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3kl9 h GLU 150 Cb 0.17 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3kl9 h GLU 150 CO -0.20 0.73 0.20 0.66 -1.00 0.00 0.00 179.01 179.40 3kl9 h SER 151 N 1.14 0.00 -0.27 1.42 4.64 -0.54 0.29 113.55 120.23 3kl9 h SER 151 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3kl9 h SER 151 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3kl9 h SER 151 CO -0.10 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.35 3kl9 n PHE 152 N -3.93 0.72 -0.86 4.77 3.01 -0.81 -4.91 117.46 115.45 3kl9 n PHE 152 Ca 0.02 -0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.20 3kl9 n PHE 152 Cb 0.33 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 3kl9 n PHE 152 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kl9 n GLY 153 N 0.55 1.07 3.73 1.37 0.00 0.10 -4.90 105.19 107.11 3kl9 n GLY 153 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3kl9 n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kl9 s ILE 154 N -3.78 3.54 0.07 -0.61 1.01 -1.17 -4.46 121.20 115.81 3kl9 s ILE 154 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.86 3kl9 s ILE 154 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3kl9 s ILE 154 CO 0.00 0.15 -0.05 -0.13 0.00 0.00 0.00 174.94 174.92 3kl9 s ARG 155 N 0.29 0.72 0.33 2.79 1.81 -1.26 -4.25 118.95 119.38 3kl9 s ARG 155 Ca 0.57 -1.28 -0.28 0.00 -1.72 0.00 0.00 55.73 53.02 3kl9 s ARG 155 Cb -0.34 0.01 -0.12 0.00 -0.45 0.00 0.00 34.95 34.05 3kl9 s ARG 155 CO 0.34 -0.07 1.29 -2.30 -0.68 0.00 0.00 175.30 173.89 3kl9 n PRO 156 N 0.04 2.08 0.00 3.54 -0.02 -1.26 -2.28 135.00 137.10 3kl9 n PRO 156 Ca -0.13 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3kl9 n PRO 156 Cb 0.61 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3kl9 n PRO 156 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kl9 n GLY 157 N 0.98 2.23 3.61 -1.23 0.00 0.81 -4.99 105.19 106.60 3kl9 n GLY 157 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 3kl9 n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kl9 n ASP 158 N 0.00 1.69 -4.81 1.61 9.92 -0.97 -4.59 116.55 119.41 3kl9 n ASP 158 Ca 0.00 1.16 -0.36 0.00 -0.53 0.00 0.00 54.79 55.06 3kl9 n ASP 158 Cb 0.00 -1.30 -0.06 0.00 -0.64 0.00 0.00 41.12 39.12 3kl9 n ASP 158 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3kl9 s THR 159 N -0.54 4.43 -0.23 -3.53 -1.32 -1.23 -1.52 115.64 111.71 3kl9 s THR 159 Ca 0.66 1.47 0.01 0.00 -1.21 0.00 0.00 61.69 62.61 3kl9 s THR 159 Cb -0.74 -3.86 0.06 0.00 -1.51 0.00 0.00 72.50 66.45 3kl9 s THR 159 CO 0.55 0.08 -0.05 -0.63 -2.21 0.00 0.00 174.62 172.36 3kl9 s ILE 160 N -1.69 1.47 -0.16 5.08 1.01 0.17 -0.93 121.20 126.15 3kl9 s ILE 160 Ca 0.49 -1.16 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3kl9 s ILE 160 Cb -0.16 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3kl9 s ILE 160 CO 0.21 -0.09 0.02 -0.69 0.00 0.00 0.00 174.94 174.39 3kl9 s VAL 161 N 1.42 4.44 0.27 2.92 1.01 0.45 -1.05 120.40 129.86 3kl9 s VAL 161 Ca -0.05 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 3kl9 s VAL 161 Cb -0.19 -2.97 -0.14 0.00 0.00 0.00 0.00 36.38 33.08 3kl9 s VAL 161 CO -0.06 0.49 0.97 -2.65 0.00 0.00 0.00 175.10 173.84 3kl9 n PRO 162 N 3.41 1.18 -3.75 2.72 -0.01 -1.26 0.77 135.00 138.07 3kl9 n PRO 162 Ca -0.17 0.42 -0.37 0.00 -0.01 0.00 0.00 63.50 63.36 3kl9 n PRO 162 Cb 0.52 -1.76 -0.12 0.00 -0.01 0.00 0.00 33.50 32.14 3kl9 n PRO 162 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 3kl9 s ASP 163 N -0.56 5.30 -0.24 2.55 2.15 -0.21 -4.66 116.67 121.01 3kl9 s ASP 163 Ca 0.60 -1.48 -0.11 0.00 0.43 0.00 0.00 52.55 51.99 3kl9 s ASP 163 Cb -0.74 -1.86 0.09 0.00 -0.30 0.00 0.00 42.92 40.11 3kl9 s ASP 163 CO 0.59 -0.42 0.56 -0.55 -0.17 0.00 0.00 175.17 175.17 3kl9 s SER 164 N 1.67 -0.75 0.51 -0.34 0.15 -1.26 -4.70 113.70 108.97 3kl9 s SER 164 Ca 0.01 1.28 -0.06 0.00 0.70 0.00 0.00 55.95 57.88 3kl9 s SER 164 Cb -0.21 1.44 -0.03 0.00 -1.71 0.00 0.00 66.02 65.51 3kl9 s SER 164 CO 0.00 -0.22 0.82 -0.94 1.20 0.00 0.00 173.24 174.10 3kl9 s SER 165 N 2.06 6.12 -0.13 5.45 1.04 -1.26 -4.48 113.70 122.51 3kl9 s SER 165 Ca -0.07 0.91 -0.16 0.00 0.48 0.00 0.00 55.95 57.10 3kl9 s SER 165 Cb -0.09 -2.15 -0.05 0.00 0.10 0.00 0.00 66.02 63.84 3kl9 s SER 165 CO -0.17 -0.69 0.39 0.00 0.98 0.00 0.00 173.24 173.75 3kl9 s ALA 166 N -2.81 3.55 0.02 5.32 0.00 -1.26 -4.40 121.76 122.18 3kl9 s ALA 166 Ca 0.49 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.16 3kl9 s ALA 166 Cb -0.10 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 3kl9 s ALA 166 CO 0.45 0.09 -0.05 0.96 0.00 0.00 0.00 175.76 177.20 3kl9 s ILE 167 N 0.40 0.36 0.54 0.00 -4.36 0.46 -5.00 121.20 113.60 3kl9 s ILE 167 Ca 0.22 -0.77 -0.19 0.00 -0.26 0.00 0.00 60.65 59.64 3kl9 s ILE 167 Cb -0.14 -0.42 -0.06 0.00 1.25 0.00 0.00 42.46 43.09 3kl9 s ILE 167 CO 0.08 -0.27 1.13 -0.76 0.24 0.00 0.00 174.94 175.35 3kl9 s LEU 168 N -1.11 3.75 0.62 0.37 1.02 -1.26 -0.56 118.68 121.52 3kl9 s LEU 168 Ca -0.08 2.18 -0.02 0.00 0.02 0.00 0.00 54.13 56.23 3kl9 s LEU 168 Cb -0.07 -4.58 0.06 0.00 0.02 0.00 0.00 46.19 41.61 3kl9 s LEU 168 CO -0.00 -1.22 0.88 0.42 0.02 0.00 0.00 176.35 176.46 3kl9 s THR 169 N -1.77 2.47 0.19 5.49 -4.23 -0.32 -4.81 115.64 112.67 3kl9 s THR 169 Ca 0.73 -0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 60.57 3kl9 s THR 169 Cb -0.24 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 70.81 3kl9 s THR 169 CO 0.27 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 176.02 3kl9 h ALA 170 N -0.23 0.45 0.00 3.99 0.00 -1.98 0.14 119.26 121.63 3kl9 h ALA 170 Ca -0.42 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kl9 h ALA 170 Cb 1.30 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3kl9 h ALA 170 CO 0.53 -0.41 0.00 0.27 0.00 0.00 0.00 179.25 179.64 3kl9 n ASN 171 N -5.28 0.00 -0.71 0.00 0.23 -1.26 -4.90 115.26 103.34 3kl9 n ASN 171 Ca 0.06 0.05 -0.09 0.00 -0.53 0.00 0.00 54.58 54.06 3kl9 n ASN 171 Cb 0.28 -0.33 -0.04 0.00 -2.08 0.00 0.00 39.78 37.61 3kl9 n ASN 171 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3kl9 n GLU 172 N -1.33 -1.11 0.00 -3.83 1.02 0.03 -4.82 120.64 110.60 3kl9 n GLU 172 Ca 0.11 0.77 0.11 0.00 -0.02 0.00 0.00 57.16 58.13 3kl9 n GLU 172 Cb 0.22 -4.84 -0.15 0.00 -0.02 0.00 0.00 31.44 26.66 3kl9 n GLU 172 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kl9 n LYS 173 N -1.80 0.63 -4.34 3.49 5.02 -1.26 -4.93 118.16 114.98 3kl9 n LYS 173 Ca -0.09 -0.16 -0.24 0.00 -2.02 0.00 0.00 58.31 55.80 3kl9 n LYS 173 Cb 0.42 -1.55 -0.12 0.00 -0.02 0.00 0.00 35.03 33.76 3kl9 n LYS 173 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kl9 s ASN 174 N -4.55 2.84 0.01 4.39 0.01 -1.26 -2.04 114.94 114.34 3kl9 s ASN 174 Ca -0.07 -0.79 0.06 0.00 -0.71 0.00 0.00 52.86 51.36 3kl9 s ASN 174 Cb 0.14 -0.18 -0.03 0.00 0.41 0.00 0.00 41.25 41.59 3kl9 s ASN 174 CO 0.90 0.05 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.73 3kl9 s ILE 175 N -1.55 2.79 -0.16 0.60 1.01 0.56 -1.17 121.20 123.27 3kl9 s ILE 175 Ca 0.13 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 3kl9 s ILE 175 Cb -0.08 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 3kl9 s ILE 175 CO 0.06 0.42 -0.07 -0.63 0.00 0.00 0.00 174.94 174.72 3kl9 s ILE 176 N -0.85 3.51 0.24 2.92 1.01 0.28 -1.39 121.20 126.92 3kl9 s ILE 176 Ca 0.13 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 3kl9 s ILE 176 Cb -0.10 -2.54 0.06 0.00 0.01 0.00 0.00 42.46 39.89 3kl9 s ILE 176 CO 0.04 0.48 0.76 -1.54 0.00 0.00 0.00 174.94 174.68 3kl9 n SER 177 N 3.84 -1.67 -4.96 3.58 3.41 -0.47 -0.41 113.62 116.95 3kl9 n SER 177 Ca -0.18 -2.03 -0.22 0.00 -0.26 0.00 0.00 58.87 56.18 3kl9 n SER 177 Cb 0.52 2.75 -0.01 0.00 -0.26 0.00 0.00 64.21 67.21 3kl9 n SER 177 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3kl9 s LYS 178 N -2.06 3.42 -1.40 4.33 -2.85 -1.25 -0.15 119.74 119.78 3kl9 s LYS 178 Ca 0.16 -0.53 -0.07 0.00 -1.00 0.00 0.00 55.97 54.53 3kl9 s LYS 178 Cb -0.03 -2.75 0.04 0.00 -2.06 0.00 0.00 37.83 33.03 3kl9 s LYS 178 CO 0.07 0.22 0.52 0.00 0.10 0.00 0.00 175.35 176.26 3kl9 n ALA 179 N -1.66 -1.01 -0.14 0.59 0.00 -1.26 -4.80 120.51 112.23 3kl9 n ALA 179 Ca -0.06 0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.52 3kl9 n ALA 179 Cb 0.57 -3.22 0.05 0.00 0.00 0.00 0.00 19.45 16.84 3kl9 n ALA 179 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3kl9 h TRP 180 N -1.11 0.23 -2.55 0.00 -0.00 -1.94 -1.01 115.95 109.58 3kl9 h TRP 180 Ca -0.47 0.02 -0.54 0.00 -0.00 0.00 0.00 58.89 57.90 3kl9 h TRP 180 Cb 1.32 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.16 30.40 3kl9 h TRP 180 CO 0.61 0.06 1.23 0.34 -0.00 0.00 0.00 178.44 180.68 3kl9 s ASP 181 N -5.35 5.81 -0.25 2.65 2.15 -1.26 -0.23 116.67 120.18 3kl9 s ASP 181 Ca -0.13 0.63 0.16 0.00 0.43 0.00 0.00 52.55 53.63 3kl9 s ASP 181 Cb 0.14 -2.53 0.48 0.00 -0.30 0.00 0.00 42.92 40.70 3kl9 s ASP 181 CO 0.72 -1.90 1.16 -3.20 -0.17 0.00 0.00 175.17 171.78 3kl9 n ASN 182 N 10.72 2.96 0.15 -0.34 4.05 -1.14 -4.72 115.26 126.95 3kl9 n ASN 182 Ca 0.18 -2.87 0.12 0.00 0.45 0.00 0.00 54.58 52.46 3kl9 n ASN 182 Cb 0.49 -0.41 0.54 0.00 1.23 0.00 0.00 39.78 41.63 3kl9 n ASN 182 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 3kl9 h ARG 183 N 2.21 0.00 0.28 1.20 2.47 0.76 0.56 114.38 121.87 3kl9 h ARG 183 Ca 0.08 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3kl9 h ARG 183 Cb 1.41 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.70 3kl9 h ARG 183 CO 0.41 0.00 -0.42 -0.92 0.56 0.00 0.00 179.97 179.60 3kl9 h TYR 184 N 0.00 -1.18 -0.95 3.04 5.03 -0.81 -2.34 116.97 119.76 3kl9 h TYR 184 Ca 0.00 0.02 0.13 0.00 2.58 0.00 0.00 58.73 61.46 3kl9 h TYR 184 Cb 0.27 0.48 -0.09 0.00 1.55 0.00 0.00 36.73 38.94 3kl9 h TYR 184 CO 0.00 -0.52 0.57 0.78 -1.32 0.00 0.00 178.16 177.67 3kl9 h GLY 185 N -0.73 1.57 1.00 1.82 0.00 -1.12 0.23 103.07 105.84 3kl9 h GLY 185 Ca -0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3kl9 h GLY 185 CO -0.13 0.09 0.31 -2.08 0.00 0.00 0.00 176.54 174.73 3kl9 h VAL 186 N 0.86 1.22 -0.10 4.60 2.07 -1.35 -0.93 116.25 122.63 3kl9 h VAL 186 Ca 0.49 -0.62 -0.23 0.00 0.82 0.00 0.00 66.70 67.16 3kl9 h VAL 186 Cb 0.56 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3kl9 h VAL 186 CO -0.30 0.25 -0.86 0.25 0.02 0.00 0.00 177.57 176.94 3kl9 h LEU 187 N 0.89 0.89 -0.65 2.57 6.46 -0.73 -2.10 115.31 122.64 3kl9 h LEU 187 Ca 0.22 -0.62 0.09 0.00 -0.12 0.00 0.00 57.88 57.45 3kl9 h LEU 187 Cb 0.11 -0.27 -0.07 0.00 -0.73 0.00 0.00 40.66 39.71 3kl9 h LEU 187 CO -0.03 1.42 0.29 -0.03 -0.62 0.00 0.00 178.44 179.47 3kl9 h MET 188 N 0.47 0.48 -0.41 1.25 4.05 -0.37 0.35 114.93 120.75 3kl9 h MET 188 Ca -0.07 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.18 3kl9 h MET 188 Cb 1.49 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 32.17 3kl9 h MET 188 CO 0.17 0.32 -0.29 0.28 0.23 0.00 0.00 176.91 177.62 3kl9 h VAL 189 N 0.50 1.27 -0.42 -5.77 2.07 -1.15 -2.00 116.25 110.76 3kl9 h VAL 189 Ca 0.33 -1.45 -0.13 0.00 0.82 0.00 0.00 66.70 66.26 3kl9 h VAL 189 Cb 0.37 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3kl9 h VAL 189 CO -0.28 0.49 -0.27 -1.28 0.02 0.00 0.00 177.57 176.24 3kl9 h SER 190 N 0.76 0.92 -0.19 0.57 0.87 -0.59 -2.17 113.55 113.73 3kl9 h SER 190 Ca 0.08 -0.37 -0.17 0.00 -1.23 0.00 0.00 61.79 60.11 3kl9 h SER 190 Cb 0.86 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3kl9 h SER 190 CO 0.08 1.13 -0.49 -0.33 -0.53 0.00 0.00 176.83 176.69 3kl9 h GLU 191 N 0.76 0.76 -0.84 2.24 4.39 -0.35 -3.04 114.58 118.50 3kl9 h GLU 191 Ca 0.09 -0.45 0.02 0.00 0.34 0.00 0.00 59.36 59.36 3kl9 h GLU 191 Cb 0.83 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 3kl9 h GLU 191 CO 0.07 1.07 0.55 1.25 -1.16 0.00 0.00 179.01 180.80 3kl9 h LEU 192 N 0.60 0.94 -0.46 1.33 6.46 -1.23 -1.96 115.31 120.99 3kl9 h LEU 192 Ca 0.03 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3kl9 h LEU 192 Cb 1.06 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 3kl9 h LEU 192 CO 0.10 0.66 0.19 0.00 -0.62 0.00 0.00 178.44 178.78 3kl9 h ALA 193 N 1.33 0.60 -0.46 1.25 0.00 -1.37 -1.94 119.26 118.65 3kl9 h ALA 193 Ca 0.32 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kl9 h ALA 193 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3kl9 h ALA 193 CO -0.09 0.20 0.15 1.49 0.00 0.00 0.00 179.25 181.00 3kl9 h GLU 194 N 0.60 0.72 0.00 0.00 4.81 -1.39 -2.18 114.58 117.14 3kl9 h GLU 194 Ca 0.15 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3kl9 h GLU 194 Cb 0.18 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3kl9 h GLU 194 CO -0.01 0.68 -0.22 0.00 -0.73 0.00 0.00 179.01 178.73 3kl9 h ALA 195 N 1.00 0.93 0.00 2.92 0.00 -1.23 -3.08 119.26 119.80 3kl9 h ALA 195 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kl9 h ALA 195 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kl9 h ALA 195 CO -0.01 0.27 -1.01 1.28 0.00 0.00 0.00 179.25 179.79 3kl9 n LEU 196 N -3.25 0.62 -0.03 0.00 4.32 -0.74 -4.64 117.00 113.28 3kl9 n LEU 196 Ca 0.01 -0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.00 3kl9 n LEU 196 Cb 0.51 -0.10 -0.01 0.00 -1.62 0.00 0.00 43.42 42.21 3kl9 n LEU 196 CO 0.34 0.03 0.07 -0.24 -1.22 0.00 0.00 177.39 176.38 3kl9 n SER 197 N -1.98 -0.07 0.38 -1.43 2.88 -0.83 -1.49 113.62 111.08 3kl9 n SER 197 Ca 0.02 0.20 -0.16 0.00 -1.33 0.00 0.00 58.87 57.60 3kl9 n SER 197 Cb 0.44 -0.06 -0.08 0.00 -0.75 0.00 0.00 64.21 63.76 3kl9 n SER 197 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3kl9 h GLY 198 N 0.00 -1.03 -1.41 0.46 0.00 -1.84 -3.48 103.07 95.77 3kl9 h GLY 198 Ca 0.01 0.38 -0.51 0.00 0.00 0.00 0.00 47.33 47.21 3kl9 h GLY 198 CO -0.06 -0.37 0.34 -0.86 0.00 0.00 0.00 176.54 175.58 3kl9 s GLN 199 N -5.10 2.52 -0.39 4.80 -2.07 -0.56 -5.01 119.66 113.85 3kl9 s GLN 199 Ca -0.16 1.18 -0.19 0.00 -1.82 0.00 0.00 55.36 54.37 3kl9 s GLN 199 Cb 0.02 -1.93 0.01 0.00 -1.09 0.00 0.00 33.01 30.02 3kl9 s GLN 199 CO 0.49 -1.44 0.54 0.15 -1.32 0.00 0.00 175.29 173.71 3kl9 s LYS 200 N -4.74 3.41 0.27 9.60 -0.14 -1.26 -5.05 119.74 121.83 3kl9 s LYS 200 Ca 0.62 -0.34 -0.09 0.00 -1.36 0.00 0.00 55.97 54.80 3kl9 s LYS 200 Cb -0.17 -3.88 -0.07 0.00 -1.68 0.00 0.00 37.83 32.03 3kl9 s LYS 200 CO 0.52 -0.80 0.58 -0.51 -0.76 0.00 0.00 175.35 174.39 3kl9 s LEU 201 N 2.48 4.11 0.00 3.17 1.43 -1.26 -4.98 118.68 123.62 3kl9 s LEU 201 Ca 0.19 0.93 0.10 0.00 -1.03 0.00 0.00 54.13 54.31 3kl9 s LEU 201 Cb -0.15 -3.71 0.31 0.00 0.03 0.00 0.00 46.19 42.66 3kl9 s LEU 201 CO 0.15 -0.14 1.24 0.61 0.23 0.00 0.00 176.35 178.45 3kl9 n GLY 202 N -0.42 0.19 3.25 -3.19 0.00 -1.26 -4.34 105.19 99.42 3kl9 n GLY 202 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 3kl9 n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kl9 s ASN 203 N -1.07 2.15 -0.44 1.61 2.20 -1.21 -4.09 114.94 114.10 3kl9 s ASN 203 Ca 0.19 -0.74 -0.26 0.00 -0.94 0.00 0.00 52.86 51.12 3kl9 s ASN 203 Cb 0.10 -0.09 0.02 0.00 -2.00 0.00 0.00 41.25 39.28 3kl9 s ASN 203 CO 0.14 -0.06 0.96 -0.70 -2.94 0.00 0.00 177.10 174.50 3kl9 s GLU 204 N -2.25 3.64 -0.25 3.55 2.56 -0.48 -4.39 118.70 121.08 3kl9 s GLU 204 Ca 0.06 0.33 -0.11 0.00 0.00 0.00 0.00 54.97 55.26 3kl9 s GLU 204 Cb -0.08 -3.89 -0.05 0.00 2.00 0.00 0.00 34.13 32.11 3kl9 s GLU 204 CO 0.04 -1.18 0.18 -1.17 -0.56 0.00 0.00 175.26 172.56 3kl9 s LEU 205 N 3.80 4.09 -0.26 2.70 2.96 -0.58 -0.57 118.68 130.82 3kl9 s LEU 205 Ca 0.39 0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.32 3kl9 s LEU 205 Cb -0.10 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 3kl9 s LEU 205 CO 0.25 0.02 0.05 -0.31 -1.32 0.00 0.00 176.35 175.05 3kl9 s TYR 206 N 1.29 3.07 -0.12 5.38 1.51 0.58 0.28 117.35 129.34 3kl9 s TYR 206 Ca 0.08 -0.70 -0.00 0.00 -1.01 0.00 0.00 57.07 55.44 3kl9 s TYR 206 Cb -0.14 -2.21 0.03 0.00 -0.11 0.00 0.00 41.96 39.52 3kl9 s TYR 206 CO 0.07 -0.46 -0.07 -1.17 -1.11 0.00 0.00 175.55 172.80 3kl9 s LEU 207 N 1.55 1.25 0.00 -1.29 0.20 0.51 0.27 118.68 121.18 3kl9 s LEU 207 Ca 0.05 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.50 3kl9 s LEU 207 Cb -0.15 -0.84 0.00 0.00 -0.43 0.00 0.00 46.19 44.76 3kl9 s LEU 207 CO 0.02 -0.14 0.00 0.61 -0.29 0.00 0.00 176.35 176.55 3kl9 n GLY 208 N 4.94 1.01 3.33 7.98 0.00 -0.29 0.13 105.19 122.28 3kl9 n GLY 208 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 3kl9 n GLY 208 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kl9 s SER 209 N 2.00 -0.54 0.67 1.61 0.15 -0.91 -1.76 113.70 114.92 3kl9 s SER 209 Ca 0.00 0.96 -0.11 0.00 0.70 0.00 0.00 55.95 57.50 3kl9 s SER 209 Cb 0.00 0.89 -0.01 0.00 -1.71 0.00 0.00 66.02 65.19 3kl9 s SER 209 CO 0.00 -0.18 1.05 0.20 1.20 0.00 0.00 173.24 175.51 3kl9 s ASN 210 N 0.96 5.73 0.18 5.45 0.01 0.24 -3.26 114.94 124.25 3kl9 s ASN 210 Ca -0.06 1.44 -0.02 0.00 -0.71 0.00 0.00 52.86 53.52 3kl9 s ASN 210 Cb -0.06 -2.38 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 3kl9 s ASN 210 CO -0.08 -1.20 0.38 0.54 -1.51 0.00 0.00 177.10 175.23 3kl9 s VAL 211 N -3.15 5.20 -1.43 1.60 0.11 -1.26 -0.56 120.40 120.91 3kl9 s VAL 211 Ca 0.57 -0.24 -0.06 0.00 -2.93 0.00 0.00 61.98 59.32 3kl9 s VAL 211 Cb -0.12 -3.69 0.04 0.00 -1.53 0.00 0.00 36.38 31.07 3kl9 s VAL 211 CO 0.54 -0.10 0.74 0.00 -3.33 0.00 0.00 175.10 172.95 3kl9 n GLN 212 N -0.39 -4.66 0.08 1.54 6.02 -1.26 -1.90 117.38 116.80 3kl9 n GLN 212 Ca -0.04 0.55 -0.11 0.00 -0.01 0.00 0.00 57.00 57.40 3kl9 n GLN 212 Cb 0.53 -5.14 -0.02 0.00 1.02 0.00 0.00 30.24 26.63 3kl9 n GLN 212 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3kl9 h GLU 213 N -1.91 0.28 0.00 -1.09 4.22 -1.91 -1.54 114.58 112.64 3kl9 h GLU 213 Ca -0.60 -0.31 -0.01 0.00 0.08 0.00 0.00 59.36 58.51 3kl9 h GLU 213 Cb 1.37 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 3kl9 h GLU 213 CO 0.63 1.02 -0.05 0.93 -2.18 0.00 0.00 179.01 179.35 3kl9 h GLU 214 N 0.16 0.00 -0.58 1.92 4.39 -1.90 -1.12 114.58 117.45 3kl9 h GLU 214 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3kl9 h GLU 214 Cb 1.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 3kl9 h GLU 214 CO 0.15 0.05 0.00 1.33 -1.16 0.00 0.00 179.01 179.38 3kl9 n VAL 215 N -3.23 1.69 0.00 3.13 0.24 -1.25 -4.12 118.33 114.79 3kl9 n VAL 215 Ca -0.01 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 3kl9 n VAL 215 Cb 0.26 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3kl9 n VAL 215 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kl9 n GLY 216 N 0.94 1.18 3.70 7.63 0.00 -1.07 -4.83 105.19 112.74 3kl9 n GLY 216 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 3kl9 n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kl9 n LEU 217 N 0.00 -3.14 0.13 0.99 4.77 -0.45 -4.92 117.00 114.39 3kl9 n LEU 217 Ca 0.00 -0.62 -0.14 0.00 -0.03 0.00 0.00 56.01 55.22 3kl9 n LEU 217 Cb 0.00 -2.88 -0.08 0.00 -2.33 0.00 0.00 43.42 38.13 3kl9 n LEU 217 CO 0.00 0.59 0.64 0.03 -1.33 0.00 0.00 177.39 177.32 3kl9 h ARG 218 N -2.49 -0.32 -0.61 3.23 3.08 -1.51 -3.01 114.38 112.76 3kl9 h ARG 218 Ca -0.57 0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.55 3kl9 h ARG 218 Cb 1.37 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.46 3kl9 h ARG 218 CO 0.60 -0.04 0.40 0.78 -1.07 0.00 0.00 179.97 180.64 3kl9 h GLY 219 N -0.58 0.77 1.04 0.04 0.00 -1.50 -2.24 103.07 100.60 3kl9 h GLY 219 Ca -0.03 -0.25 0.10 0.00 0.00 0.00 0.00 47.33 47.15 3kl9 h GLY 219 CO 0.05 0.20 0.40 0.00 0.00 0.00 0.00 176.54 177.19 3kl9 h ALA 220 N 1.66 2.05 -0.29 3.60 0.00 -1.73 0.91 119.26 125.47 3kl9 h ALA 220 Ca 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kl9 h ALA 220 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kl9 h ALA 220 CO -0.08 -0.19 0.17 0.45 0.00 0.00 0.00 179.25 179.60 3kl9 h HIS 221 N 0.37 0.39 0.10 0.00 -0.00 -1.38 -3.19 115.15 111.44 3kl9 h HIS 221 Ca 0.27 -0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.45 3kl9 h HIS 221 Cb 0.57 -0.13 0.02 0.00 -0.00 0.00 0.00 27.41 27.88 3kl9 h HIS 221 CO -0.00 0.31 -0.77 1.79 -0.00 0.00 0.00 177.93 179.26 3kl9 h THR 222 N 0.36 1.47 -0.26 2.45 1.35 -0.91 -2.86 112.91 114.51 3kl9 h THR 222 Ca 0.10 -2.38 -0.04 0.00 -0.55 0.00 0.00 66.41 63.54 3kl9 h THR 222 Cb 0.04 2.98 -0.01 0.00 -1.73 0.00 0.00 68.15 69.44 3kl9 h THR 222 CO -0.02 0.68 0.01 0.77 -0.25 0.00 0.00 175.52 176.72 3kl9 h SER 223 N -0.25 0.43 -0.68 5.36 4.64 -1.36 -1.64 113.55 120.05 3kl9 h SER 223 Ca -0.12 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3kl9 h SER 223 Cb 1.55 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.49 3kl9 h SER 223 CO 0.15 0.62 0.38 0.74 -0.87 0.00 0.00 176.83 177.85 3kl9 h THR 224 N 0.24 1.21 0.16 2.95 2.02 -1.65 0.15 112.91 117.99 3kl9 h THR 224 Ca 0.08 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 3kl9 h THR 224 Cb 0.39 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3kl9 h THR 224 CO 0.01 0.23 -0.08 0.74 0.37 0.00 0.00 175.52 176.79 3kl9 h THR 225 N 0.93 0.91 -0.12 3.16 2.02 -1.50 -1.52 112.91 116.79 3kl9 h THR 225 Ca 0.24 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3kl9 h THR 225 Cb 0.02 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3kl9 h THR 225 CO -0.04 0.08 0.02 0.50 0.37 0.00 0.00 175.52 176.45 3kl9 h LYS 226 N -0.37 0.16 -0.00 6.66 3.64 -0.89 -3.21 116.57 122.56 3kl9 h LYS 226 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3kl9 h LYS 226 Cb 0.29 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3kl9 h LYS 226 CO 0.04 0.16 -0.44 1.19 -2.27 0.00 0.00 179.45 178.13 3kl9 n PHE 227 N -4.46 0.00 -3.72 1.91 0.99 0.50 -5.04 117.46 107.63 3kl9 n PHE 227 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.11 3kl9 n PHE 227 Cb 0.13 0.00 0.04 0.00 -1.00 0.00 0.00 39.48 38.65 3kl9 n PHE 227 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kl9 n ASP 228 N -0.82 -5.04 -4.87 4.37 4.64 -0.58 -4.95 116.55 109.29 3kl9 n ASP 228 Ca 0.04 -1.04 -0.31 0.00 -1.38 0.00 0.00 54.79 52.10 3kl9 n ASP 228 Cb 0.22 -3.22 0.01 0.00 -1.04 0.00 0.00 41.12 37.09 3kl9 n ASP 228 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3kl9 s PRO 229 N -6.13 3.51 0.07 -0.67 0.04 -1.26 -4.82 135.00 125.74 3kl9 s PRO 229 Ca 0.46 0.69 0.15 0.00 0.04 0.00 0.00 61.00 62.34 3kl9 s PRO 229 Cb -0.17 -2.09 -0.14 0.00 0.04 0.00 0.00 34.50 32.14 3kl9 s PRO 229 CO 0.87 -0.61 0.90 0.93 0.04 0.00 0.00 177.00 179.13 3kl9 h GLU 230 N -0.33 0.00 -3.24 4.56 5.08 -1.38 -3.45 114.58 115.81 3kl9 h GLU 230 Ca -0.44 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.73 3kl9 h GLU 230 Cb 1.20 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.18 3kl9 h GLU 230 CO 0.62 0.41 -0.50 0.08 -1.00 0.00 0.00 179.01 178.62 3kl9 s VAL 231 N -2.84 -0.01 -0.07 3.13 1.01 -1.21 -3.92 120.40 116.48 3kl9 s VAL 231 Ca -0.02 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3kl9 s VAL 231 Cb 0.08 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.20 3kl9 s VAL 231 CO 0.81 0.02 -0.13 0.12 0.00 0.00 0.00 175.10 175.91 3kl9 s PHE 232 N 0.36 1.51 -0.31 5.22 2.19 -0.59 -2.01 117.98 124.34 3kl9 s PHE 232 Ca -0.02 -0.56 -0.03 0.00 0.33 0.00 0.00 56.93 56.65 3kl9 s PHE 232 Cb -0.04 -1.10 0.05 0.00 -1.31 0.00 0.00 43.02 40.63 3kl9 s PHE 232 CO -0.02 -0.28 0.03 -0.51 1.83 0.00 0.00 175.22 176.27 3kl9 s LEU 233 N 0.65 4.05 0.46 6.12 1.02 -0.03 -2.29 118.68 128.66 3kl9 s LEU 233 Ca -0.15 -1.29 -0.20 0.00 0.02 0.00 0.00 54.13 52.51 3kl9 s LEU 233 Cb -0.16 -1.75 -0.10 0.00 0.02 0.00 0.00 46.19 44.21 3kl9 s LEU 233 CO 0.04 -0.29 0.99 0.00 0.02 0.00 0.00 176.35 177.11 3kl9 s ALA 234 N 1.27 2.97 -0.19 4.21 0.00 0.89 -1.53 121.76 129.38 3kl9 s ALA 234 Ca -0.04 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 3kl9 s ALA 234 Cb -0.20 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 19.78 3kl9 s ALA 234 CO -0.01 -0.08 -0.01 0.08 0.00 0.00 0.00 175.76 175.75 3kl9 s VAL 235 N -2.11 0.90 -0.14 0.00 1.01 0.35 0.12 120.40 120.52 3kl9 s VAL 235 Ca 0.64 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3kl9 s VAL 235 Cb -0.12 -1.25 0.12 0.00 0.00 0.00 0.00 36.38 35.13 3kl9 s VAL 235 CO 0.17 -0.08 0.97 -0.62 0.00 0.00 0.00 175.10 175.54 3kl9 s ASP 236 N 1.70 -0.38 0.33 3.32 3.68 -1.13 -4.21 116.67 119.98 3kl9 s ASP 236 Ca -0.01 0.36 0.08 0.00 2.13 0.00 0.00 52.55 55.10 3kl9 s ASP 236 Cb -0.17 0.32 -0.03 0.00 -1.45 0.00 0.00 42.92 41.59 3kl9 s ASP 236 CO -0.07 -0.39 0.21 0.00 0.13 0.00 0.00 175.17 175.05 3kl9 s SER 238 N -3.91 0.58 0.26 0.00 0.01 -0.31 -4.88 113.70 105.45 3kl9 s SER 238 Ca 0.39 -1.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.28 3kl9 s SER 238 Cb -0.05 0.20 -0.11 0.00 0.21 0.00 0.00 66.02 66.28 3kl9 s SER 238 CO 0.24 -0.61 1.54 -2.84 0.41 0.00 0.00 173.24 171.99 3kl9 s PRO 239 N -3.94 4.18 0.21 12.44 0.02 -1.26 -0.09 135.00 146.56 3kl9 s PRO 239 Ca 0.13 2.46 -0.24 0.00 0.02 0.00 0.00 61.00 63.37 3kl9 s PRO 239 Cb 0.07 -3.07 -0.08 0.00 0.02 0.00 0.00 34.50 31.45 3kl9 s PRO 239 CO -0.06 -0.56 0.79 0.00 -0.33 0.00 0.00 177.00 176.85 3kl9 s ALA 240 N 0.12 3.40 -0.09 -1.55 0.00 0.25 -4.64 121.76 119.25 3kl9 s ALA 240 Ca 0.63 0.34 0.17 0.00 0.00 0.00 0.00 51.96 53.10 3kl9 s ALA 240 Cb -0.45 -2.96 -0.25 0.00 0.00 0.00 0.00 23.12 19.46 3kl9 s ALA 240 CO 0.44 0.28 0.24 0.41 0.00 0.00 0.00 175.76 177.14 3kl9 n GLY 241 N 1.22 -0.83 0.15 0.00 0.00 -0.00 -4.67 105.19 101.06 3kl9 n GLY 241 Ca -0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 3kl9 n GLY 241 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kl9 n ASP 242 N -2.36 -0.38 0.31 1.61 5.68 -0.91 0.18 116.55 120.67 3kl9 n ASP 242 Ca -0.15 0.64 0.17 0.00 -0.50 0.00 0.00 54.79 54.96 3kl9 n ASP 242 Cb 0.74 -0.08 0.99 0.00 -1.14 0.00 0.00 41.12 41.62 3kl9 n ASP 242 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3kl9 h VAL 243 N 0.00 0.40 -0.47 2.12 2.07 -1.86 -1.90 116.25 116.61 3kl9 h VAL 243 Ca 0.06 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3kl9 h VAL 243 Cb 0.15 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3kl9 h VAL 243 CO -0.34 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.04 3kl9 n TYR 244 N -3.66 1.23 -0.50 1.57 0.53 0.48 -4.93 117.16 111.89 3kl9 n TYR 244 Ca -0.03 -0.69 0.00 0.00 -1.02 0.00 0.00 57.90 56.16 3kl9 n TYR 244 Cb 0.08 -0.27 0.00 0.00 -1.03 0.00 0.00 39.34 38.13 3kl9 n TYR 244 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3kl9 n GLY 245 N 0.45 1.50 3.95 2.72 0.00 -0.71 -5.01 105.19 108.09 3kl9 n GLY 245 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3kl9 n GLY 245 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl9 s GLY 246 N -2.00 1.80 0.41 -0.02 0.00 -0.99 -4.91 107.32 101.61 3kl9 s GLY 246 Ca 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.36 3kl9 s GLY 246 CO 0.00 -0.62 0.59 -0.86 0.00 0.00 0.00 173.10 172.21 3kl9 s GLN 247 N -5.80 3.01 0.00 2.90 -2.07 -1.26 -2.49 119.66 113.95 3kl9 s GLN 247 Ca 0.74 -0.81 0.00 0.00 -1.82 0.00 0.00 55.36 53.47 3kl9 s GLN 247 Cb -0.03 -2.68 0.00 0.00 -1.09 0.00 0.00 33.01 29.21 3kl9 s GLN 247 CO 0.52 -0.18 0.00 0.41 -1.32 0.00 0.00 175.29 174.72 3kl9 n GLY 248 N -1.90 -0.89 3.36 2.60 0.00 -1.26 -1.07 105.19 106.04 3kl9 n GLY 248 Ca 0.02 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 3kl9 n GLY 248 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kl9 s LYS 249 N -0.27 3.43 -0.03 1.61 2.20 -1.26 -0.82 119.74 124.60 3kl9 s LYS 249 Ca 0.00 -0.62 -0.34 0.00 -0.36 0.00 0.00 55.97 54.64 3kl9 s LYS 249 Cb 0.00 -2.88 -0.12 0.00 -1.51 0.00 0.00 37.83 33.32 3kl9 s LYS 249 CO 0.00 0.01 1.79 -0.89 -0.36 0.00 0.00 175.35 175.90 3kl9 n ILE 250 N 4.18 0.42 -0.17 5.43 -0.00 -1.26 -1.90 119.36 126.05 3kl9 n ILE 250 Ca -0.18 -0.07 0.00 0.00 -0.00 0.00 0.00 62.75 62.50 3kl9 n ILE 250 Cb 0.52 -1.75 0.00 0.00 -0.00 0.00 0.00 39.64 38.40 3kl9 n ILE 250 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3kl9 n GLY 251 N 4.12 0.85 1.32 7.39 0.00 -1.26 -4.91 105.19 112.69 3kl9 n GLY 251 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.26 3kl9 n GLY 251 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kl9 n ASP 252 N 0.00 3.63 0.00 1.61 9.92 -0.80 -4.91 116.55 126.01 3kl9 n ASP 252 Ca 0.00 -2.55 0.00 0.00 -0.53 0.00 0.00 54.79 51.71 3kl9 n ASP 252 Cb 0.00 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 3kl9 n ASP 252 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kl9 n GLY 253 N 0.28 -1.82 3.88 0.44 0.00 -1.26 -3.44 105.19 103.27 3kl9 n GLY 253 Ca 0.17 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 3kl9 n GLY 253 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kl9 s THR 254 N 0.00 3.19 -0.21 2.61 -1.32 -0.34 -4.59 115.64 114.97 3kl9 s THR 254 Ca 0.00 0.39 -0.10 0.00 -1.21 0.00 0.00 61.69 60.77 3kl9 s THR 254 Cb 0.00 -3.37 -0.05 0.00 -1.51 0.00 0.00 72.50 67.57 3kl9 s THR 254 CO 0.00 -0.51 0.13 -0.76 -2.21 0.00 0.00 174.62 171.28 3kl9 s LEU 255 N -5.43 4.14 -0.71 9.08 1.43 -0.38 -0.64 118.68 126.17 3kl9 s LEU 255 Ca 0.59 0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.70 3kl9 s LEU 255 Cb -0.11 -2.08 0.16 0.00 0.03 0.00 0.00 46.19 44.19 3kl9 s LEU 255 CO 0.51 0.14 0.72 -0.63 0.23 0.00 0.00 176.35 177.32 3kl9 s ILE 256 N 0.62 5.25 -1.04 -0.59 -1.09 -0.62 -4.33 121.20 119.39 3kl9 s ILE 256 Ca 0.07 -1.81 -0.21 0.00 -2.23 0.00 0.00 60.65 56.48 3kl9 s ILE 256 Cb -0.12 -4.47 0.08 0.00 -1.58 0.00 0.00 42.46 36.37 3kl9 s ILE 256 CO 0.00 -1.05 1.40 -0.60 -1.23 0.00 0.00 174.94 173.46 3kl9 s ARG 257 N 1.34 3.68 0.16 2.79 3.52 -1.26 -1.52 118.95 127.66 3kl9 s ARG 257 Ca 0.14 -1.49 0.06 0.00 -0.13 0.00 0.00 55.73 54.31 3kl9 s ARG 257 Cb -0.18 -5.25 -0.04 0.00 -1.56 0.00 0.00 34.95 27.92 3kl9 s ARG 257 CO -0.03 -2.08 1.37 0.27 -0.81 0.00 0.00 175.30 174.03 3kl9 h PHE 258 N 9.09 0.08 -3.83 5.12 -5.15 -1.93 -3.41 116.94 116.93 3kl9 h PHE 258 Ca 0.23 -0.05 -0.26 0.00 -0.20 0.00 0.00 57.97 57.69 3kl9 h PHE 258 Cb 0.99 -0.01 -0.27 0.00 0.22 0.00 0.00 35.95 36.88 3kl9 h PHE 258 CO 1.26 0.92 -0.73 -0.47 -2.00 0.00 0.00 178.31 177.29 3kl9 s TYR 259 N -3.02 0.22 0.18 6.09 6.14 -1.26 -2.06 117.35 123.63 3kl9 s TYR 259 Ca -0.01 -0.11 -0.05 0.00 0.64 0.00 0.00 57.07 57.54 3kl9 s TYR 259 Cb 0.11 -0.14 -0.03 0.00 0.42 0.00 0.00 41.96 42.32 3kl9 s TYR 259 CO 0.81 -0.03 0.21 0.16 0.64 0.00 0.00 175.55 177.35 3kl9 s ASP 260 N -0.29 0.12 0.63 4.32 1.47 -0.70 -0.08 116.67 122.15 3kl9 s ASP 260 Ca -0.02 -1.13 0.41 0.00 1.18 0.00 0.00 52.55 52.99 3kl9 s ASP 260 Cb -0.02 0.41 2.22 0.00 -0.34 0.00 0.00 42.92 45.19 3kl9 s ASP 260 CO -0.00 -0.88 2.25 -0.65 0.68 0.00 0.00 175.17 176.57 3kl9 h PRO 261 N 2.60 0.00 -0.01 2.11 0.11 -1.80 -2.63 132.00 132.38 3kl9 h PRO 261 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kl9 h PRO 261 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kl9 h PRO 261 CO 0.50 0.00 -0.09 0.41 -0.21 0.00 0.00 178.00 178.61 3kl9 n GLY 262 N -1.12 -0.14 3.35 -0.55 0.00 -1.26 -5.01 105.19 100.45 3kl9 n GLY 262 Ca -0.03 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 3kl9 n GLY 262 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kl9 s HIS 263 N -1.24 -0.64 -0.20 1.61 5.65 -0.99 -4.53 115.29 114.95 3kl9 s HIS 263 Ca 0.13 1.39 -0.05 0.00 0.25 0.00 0.00 55.06 56.78 3kl9 s HIS 263 Cb 0.10 0.29 -0.03 0.00 -1.18 0.00 0.00 32.58 31.77 3kl9 s HIS 263 CO 0.21 -0.34 0.01 -0.51 -0.65 0.00 0.00 174.74 173.46 3kl9 s LEU 264 N 1.10 3.29 -0.21 8.88 1.43 -1.26 -1.72 118.68 130.19 3kl9 s LEU 264 Ca -0.07 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 3kl9 s LEU 264 Cb -0.06 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 3kl9 s LEU 264 CO -0.10 0.06 1.44 -0.22 0.23 0.00 0.00 176.35 177.76 3kl9 s LEU 265 N 1.01 4.02 0.44 1.79 2.96 -0.88 -4.94 118.68 123.08 3kl9 s LEU 265 Ca 0.02 1.59 -0.23 0.00 -0.22 0.00 0.00 54.13 55.30 3kl9 s LEU 265 Cb -0.14 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 3kl9 s LEU 265 CO 0.02 -1.04 1.07 -0.76 -1.32 0.00 0.00 176.35 174.32 3kl9 s LEU 266 N 4.37 4.03 0.30 -0.68 1.43 -1.26 -4.81 118.68 122.05 3kl9 s LEU 266 Ca 0.63 2.06 0.02 0.00 -1.03 0.00 0.00 54.13 55.82 3kl9 s LEU 266 Cb -0.23 -4.30 0.59 0.00 0.03 0.00 0.00 46.19 42.29 3kl9 s LEU 266 CO 0.24 -0.66 1.85 -0.65 0.23 0.00 0.00 176.35 177.35 3kl9 h PRO 267 N 2.14 0.93 -0.85 1.29 0.11 -1.94 0.15 132.00 133.83 3kl9 h PRO 267 Ca -0.49 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 3kl9 h PRO 267 Cb 1.22 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 3kl9 h PRO 267 CO 0.61 0.61 0.45 0.78 -0.21 0.00 0.00 178.00 180.25 3kl9 h GLY 268 N 0.95 1.28 1.72 -0.55 0.00 -1.89 -0.52 103.07 104.05 3kl9 h GLY 268 Ca 0.48 -0.59 -0.25 0.00 0.00 0.00 0.00 47.33 46.97 3kl9 h GLY 268 CO -0.24 0.56 -1.12 1.98 0.00 0.00 0.00 176.54 177.72 3kl9 h MET 269 N 1.20 0.22 -0.09 4.80 1.85 -1.51 -2.83 114.93 118.57 3kl9 h MET 269 Ca 0.30 -0.34 -0.00 0.00 -0.61 0.00 0.00 59.70 59.05 3kl9 h MET 269 Cb 0.05 0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.19 3kl9 h MET 269 CO -0.05 1.13 0.05 -0.22 -0.40 0.00 0.00 176.91 177.43 3kl9 h LYS 270 N 0.08 0.13 -0.67 0.39 3.64 -0.52 -0.80 116.57 118.83 3kl9 h LYS 270 Ca -0.09 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3kl9 h LYS 270 Cb 1.83 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 33.53 3kl9 h LYS 270 CO 0.18 0.16 0.19 -0.44 -2.27 0.00 0.00 179.45 177.27 3kl9 h ASP 271 N 0.06 0.10 -0.48 4.20 3.32 -1.11 -1.19 116.42 121.33 3kl9 h ASP 271 Ca 0.03 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 3kl9 h ASP 271 Cb 0.07 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3kl9 h ASP 271 CO -0.01 0.04 0.08 0.15 -1.72 0.00 0.00 179.24 177.79 3kl9 h PHE 272 N 0.33 0.83 -0.11 4.55 3.57 -1.26 -2.29 116.94 122.56 3kl9 h PHE 272 Ca 0.36 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3kl9 h PHE 272 Cb 0.54 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3kl9 h PHE 272 CO -0.22 0.77 0.06 -0.07 -2.23 0.00 0.00 178.31 176.62 3kl9 h LEU 273 N 0.65 0.14 -0.45 0.59 3.38 -0.39 -1.86 115.31 117.38 3kl9 h LEU 273 Ca 0.15 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 3kl9 h LEU 273 Cb 0.38 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3kl9 h LEU 273 CO 0.01 0.18 -0.47 -0.07 0.09 0.00 0.00 178.44 178.18 3kl9 h LEU 274 N 0.09 0.84 -0.06 1.67 3.38 -1.22 -0.95 115.31 119.05 3kl9 h LEU 274 Ca 0.04 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3kl9 h LEU 274 Cb 0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3kl9 h LEU 274 CO -0.01 1.17 0.02 0.74 0.09 0.00 0.00 178.44 180.45 3kl9 h THR 275 N 0.61 1.18 -0.58 0.22 2.02 -1.42 -1.35 112.91 113.59 3kl9 h THR 275 Ca 0.03 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.68 3kl9 h THR 275 Cb 1.04 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 3kl9 h THR 275 CO 0.10 0.15 0.38 0.74 0.37 0.00 0.00 175.52 177.26 3kl9 h THR 276 N -0.11 1.14 -0.68 3.16 2.02 -1.27 0.42 112.91 117.59 3kl9 h THR 276 Ca 0.02 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 66.94 3kl9 h THR 276 Cb 0.23 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3kl9 h THR 276 CO -0.00 0.14 0.45 0.00 0.37 0.00 0.00 175.52 176.48 3kl9 h ALA 277 N 1.22 0.87 0.02 6.16 0.00 -1.08 -1.35 119.26 125.09 3kl9 h ALA 277 Ca 0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kl9 h ALA 277 Cb -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.44 3kl9 h ALA 277 CO -0.05 0.28 -0.01 1.49 0.00 0.00 0.00 179.25 180.96 3kl9 h GLU 278 N 0.92 -0.02 0.00 0.00 4.57 -0.81 -1.07 114.58 118.16 3kl9 h GLU 278 Ca 0.25 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 3kl9 h GLU 278 Cb -0.10 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3kl9 h GLU 278 CO -0.06 0.20 -0.07 0.93 -1.18 0.00 0.00 179.01 178.84 3kl9 h GLU 279 N -0.25 0.00 -0.19 1.92 5.08 -0.70 -2.76 114.58 117.69 3kl9 h GLU 279 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kl9 h GLU 279 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3kl9 h GLU 279 CO 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 3kl9 n ALA 280 N -2.18 2.39 -1.26 3.43 0.00 -0.53 -4.98 120.51 117.38 3kl9 n ALA 280 Ca -0.01 -0.83 -0.09 0.00 0.00 0.00 0.00 53.44 52.51 3kl9 n ALA 280 Cb 0.24 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 3kl9 n ALA 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kl9 n GLY 281 N 0.84 1.01 3.72 0.00 0.00 -0.83 -4.97 105.19 104.96 3kl9 n GLY 281 Ca 0.11 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3kl9 n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kl9 s ILE 282 N -2.14 2.37 -0.02 -0.61 -1.09 -0.47 -4.99 121.20 114.25 3kl9 s ILE 282 Ca 0.00 0.25 -0.26 0.00 -2.23 0.00 0.00 60.65 58.40 3kl9 s ILE 282 Cb 0.00 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 3kl9 s ILE 282 CO 0.00 0.02 0.83 -0.75 -1.23 0.00 0.00 174.94 173.80 3kl9 s LYS 283 N 1.23 4.50 -0.04 2.79 2.20 -1.26 -4.76 119.74 124.41 3kl9 s LYS 283 Ca 0.72 1.13 -0.11 0.00 -0.36 0.00 0.00 55.97 57.36 3kl9 s LYS 283 Cb -0.46 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.44 3kl9 s LYS 283 CO 0.32 0.06 0.25 1.52 -0.36 0.00 0.00 175.35 177.13 3kl9 s TYR 284 N 0.73 -0.16 0.01 4.03 -0.85 -1.26 -1.20 117.35 118.65 3kl9 s TYR 284 Ca 0.43 0.31 0.08 0.00 -0.52 0.00 0.00 57.07 57.37 3kl9 s TYR 284 Cb -0.20 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.18 3kl9 s TYR 284 CO 0.23 -0.27 -0.25 1.14 -1.52 0.00 0.00 175.55 174.87 3kl9 s GLN 285 N -0.84 2.00 0.31 -3.49 -2.07 0.19 -4.87 119.66 110.89 3kl9 s GLN 285 Ca -0.09 -1.00 -0.29 0.00 -1.82 0.00 0.00 55.36 52.16 3kl9 s GLN 285 Cb -0.05 -2.03 -0.10 0.00 -1.09 0.00 0.00 33.01 29.74 3kl9 s GLN 285 CO 0.02 0.54 1.31 0.71 -1.32 0.00 0.00 175.29 176.55 3kl9 s TYR 286 N -0.71 3.08 -0.03 9.60 1.51 -1.26 -1.58 117.35 127.96 3kl9 s TYR 286 Ca 0.11 1.39 -0.01 0.00 -1.01 0.00 0.00 57.07 57.55 3kl9 s TYR 286 Cb -0.10 -3.67 0.03 0.00 -0.11 0.00 0.00 41.96 38.11 3kl9 s TYR 286 CO 0.01 -1.86 0.04 -0.47 -1.11 0.00 0.00 175.55 172.15 3kl9 s TYR 287 N -0.97 0.13 -0.42 2.71 5.04 -0.57 -4.78 117.35 118.48 3kl9 s TYR 287 Ca 0.50 0.14 -0.16 0.00 -2.44 0.00 0.00 57.07 55.11 3kl9 s TYR 287 Cb -0.39 -0.39 0.03 0.00 0.35 0.00 0.00 41.96 41.55 3kl9 s TYR 287 CO 0.51 -0.15 0.35 0.00 -1.34 0.00 0.00 175.55 174.92 3kl9 s GLY 289 N 1.84 2.90 0.02 0.00 0.00 0.89 -4.95 107.32 108.02 3kl9 s GLY 289 Ca 0.07 0.89 0.22 0.00 0.00 0.00 0.00 44.72 45.90 3kl9 s GLY 289 CO 0.11 1.64 0.78 0.28 0.00 0.00 0.00 173.10 175.91 3kl9 n LYS 290 N 1.87 0.39 -4.47 2.90 4.01 -1.26 -4.17 118.16 117.42 3kl9 n LYS 290 Ca 0.01 -0.07 -0.24 0.00 -0.51 0.00 0.00 58.31 57.50 3kl9 n LYS 290 Cb 0.45 -1.56 -0.08 0.00 -0.51 0.00 0.00 35.03 33.33 3kl9 n LYS 290 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3kl9 s GLY 291 N -3.88 2.49 0.40 0.72 0.00 -1.26 -4.66 107.32 101.13 3kl9 s GLY 291 Ca -0.00 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.31 3kl9 s GLY 291 CO 0.86 -1.78 0.62 -0.32 0.00 0.00 0.00 173.10 172.48 3kl9 s GLY 292 N -3.56 1.47 0.33 0.20 0.00 -1.26 -4.52 107.32 99.98 3kl9 s GLY 292 Ca 0.27 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 44.04 3kl9 s GLY 292 CO 0.16 -0.87 0.06 -0.51 0.00 0.00 0.00 173.10 171.94 3kl9 s THR 293 N -2.45 1.12 0.52 0.90 -4.23 -1.26 -5.03 115.64 105.21 3kl9 s THR 293 Ca 0.45 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.33 3kl9 s THR 293 Cb -0.10 -2.76 0.57 0.00 1.34 0.00 0.00 72.50 71.56 3kl9 s THR 293 CO 0.37 0.00 1.72 0.44 -0.54 0.00 0.00 174.62 176.61 3kl9 h ASP 294 N 2.10 0.08 -0.04 3.99 3.32 -1.95 0.86 116.42 124.79 3kl9 h ASP 294 Ca -0.40 0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.68 3kl9 h ASP 294 Cb 1.25 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 3kl9 h ASP 294 CO 0.68 -0.01 0.06 0.00 -1.72 0.00 0.00 179.24 178.25 3kl9 h ALA 295 N 1.36 1.45 0.00 3.45 0.00 -1.96 -0.78 119.26 122.78 3kl9 h ALA 295 Ca 0.69 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.49 3kl9 h ALA 295 Cb 2.58 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 20.36 3kl9 h ALA 295 CO -0.09 -0.08 -0.54 0.78 0.00 0.00 0.00 179.25 179.32 3kl9 h GLY 296 N 0.00 0.00 0.37 0.00 0.00 -1.05 -2.67 103.07 99.71 3kl9 h GLY 296 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.98 3kl9 h GLY 296 CO -0.00 0.00 -2.09 0.00 0.00 0.00 0.00 176.54 174.45 3kl9 n ALA 297 N -2.42 1.04 -0.18 3.60 0.00 -0.65 -4.58 120.51 117.32 3kl9 n ALA 297 Ca -0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.59 3kl9 n ALA 297 Cb 0.55 -0.48 0.01 0.00 0.00 0.00 0.00 19.45 19.53 3kl9 n ALA 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kl9 h ALA 298 N -0.04 0.70 0.00 0.00 0.00 -1.23 -2.95 119.26 115.74 3kl9 h ALA 298 Ca -0.47 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3kl9 h ALA 298 Cb 1.92 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3kl9 h ALA 298 CO -0.01 0.50 0.00 1.12 0.00 0.00 0.00 179.25 180.86 3kl9 h HIS 299 N 0.78 0.00 -0.00 0.00 2.07 -1.63 -1.57 115.15 114.80 3kl9 h HIS 299 Ca 0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.67 3kl9 h HIS 299 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 3kl9 h HIS 299 CO 0.04 0.00 -0.32 1.28 -3.07 0.00 0.00 177.93 175.86 3kl9 n LEU 300 N -2.94 0.73 -4.85 6.12 4.77 -1.12 -1.69 117.00 118.01 3kl9 n LEU 300 Ca -0.01 -0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 3kl9 n LEU 300 Cb 0.17 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3kl9 n LEU 300 CO 0.22 0.15 0.72 -0.54 -1.33 0.00 0.00 177.39 176.60 3kl9 s LYS 301 N -2.70 3.34 2.10 3.23 -0.14 -0.59 -4.66 119.74 120.31 3kl9 s LYS 301 Ca 0.20 0.83 0.00 0.00 -1.36 0.00 0.00 55.97 55.64 3kl9 s LYS 301 Cb 0.19 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.29 3kl9 s LYS 301 CO 0.58 -0.78 0.00 0.09 -0.76 0.00 0.00 175.35 174.48 3kl9 n ASN 302 N -2.90 0.00 -0.07 2.83 4.13 -1.26 -1.46 115.26 116.53 3kl9 n ASN 302 Ca 0.07 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.44 3kl9 n ASN 302 Cb 0.54 0.00 0.64 0.00 -1.54 0.00 0.00 39.78 39.42 3kl9 n ASN 302 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kl9 n GLY 303 N 0.00 -0.85 0.00 7.41 0.00 -1.26 -4.96 105.19 105.53 3kl9 n GLY 303 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3kl9 n GLY 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl9 n GLY 304 N 0.89 2.87 2.58 -0.02 0.00 -0.54 -5.10 105.19 105.88 3kl9 n GLY 304 Ca 0.17 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 3kl9 n GLY 304 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kl9 s VAL 305 N -0.60 -0.13 0.33 1.61 1.01 -0.68 -4.94 120.40 117.00 3kl9 s VAL 305 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 3kl9 s VAL 305 Cb 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 36.38 35.26 3kl9 s VAL 305 CO 0.00 -0.69 0.94 -2.65 0.00 0.00 0.00 175.10 172.70 3kl9 n PRO 306 N 5.15 1.21 -4.00 2.72 -0.02 -1.25 -4.11 135.00 134.69 3kl9 n PRO 306 Ca -0.03 0.43 -0.10 0.00 -2.02 0.00 0.00 63.50 61.78 3kl9 n PRO 306 Cb 0.43 -1.82 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 3kl9 n PRO 306 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kl9 s SER 307 N -0.66 0.04 0.23 2.55 0.01 -1.26 -1.54 113.70 113.07 3kl9 s SER 307 Ca 0.60 -0.95 -0.05 0.00 1.31 0.00 0.00 55.95 56.86 3kl9 s SER 307 Cb -0.67 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.04 3kl9 s SER 307 CO 0.59 -0.93 0.41 0.41 0.41 0.00 0.00 173.24 174.13 3kl9 n THR 308 N -0.25 0.00 -4.48 1.44 -1.04 -0.97 -4.68 114.28 104.29 3kl9 n THR 308 Ca -0.05 -0.86 -0.27 0.00 -2.04 0.00 0.00 64.05 60.83 3kl9 n THR 308 Cb 0.63 0.65 -0.17 0.00 -1.82 0.00 0.00 70.33 69.63 3kl9 n THR 308 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3kl9 s THR 309 N -2.55 1.36 -0.41 12.58 2.01 -1.26 -0.08 115.64 127.30 3kl9 s THR 309 Ca 0.14 -0.57 -0.18 0.00 0.31 0.00 0.00 61.69 61.39 3kl9 s THR 309 Cb -0.02 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.26 3kl9 s THR 309 CO 0.10 0.41 0.50 -0.63 -0.69 0.00 0.00 174.62 174.31 3kl9 s ILE 310 N 0.92 5.02 0.34 1.82 -1.09 0.32 -4.62 121.20 123.90 3kl9 s ILE 310 Ca -0.09 -0.09 0.08 0.00 -2.23 0.00 0.00 60.65 58.32 3kl9 s ILE 310 Cb -0.15 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 3kl9 s ILE 310 CO 0.00 -0.41 0.29 -0.83 -1.23 0.00 0.00 174.94 172.77 3kl9 s GLY 311 N 1.85 2.37 -0.02 6.18 0.00 -1.26 -2.84 107.32 113.59 3kl9 s GLY 311 Ca 0.16 -2.09 -0.11 0.00 0.00 0.00 0.00 44.72 42.69 3kl9 s GLY 311 CO 0.15 -1.46 0.23 0.14 0.00 0.00 0.00 173.10 172.15 3kl9 s VAL 312 N -3.39 0.06 0.12 1.40 1.01 -1.24 -1.24 120.40 117.11 3kl9 s VAL 312 Ca 0.41 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.95 3kl9 s VAL 312 Cb 0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3kl9 s VAL 312 CO 0.28 -0.25 0.22 0.00 0.00 0.00 0.00 175.10 175.35 3kl9 s ALA 314 N -1.65 0.29 0.21 0.00 0.00 0.87 -4.76 121.76 116.73 3kl9 s ALA 314 Ca 0.34 -0.80 -0.28 0.00 0.00 0.00 0.00 51.96 51.22 3kl9 s ALA 314 Cb -0.12 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 23.09 3kl9 s ALA 314 CO 0.27 -0.21 0.87 1.03 0.00 0.00 0.00 175.76 177.72 3kl9 s ARG 315 N -2.21 4.71 -1.12 0.00 0.52 -0.63 0.87 118.95 121.08 3kl9 s ARG 315 Ca -0.08 1.32 -0.07 0.00 -0.52 0.00 0.00 55.73 56.38 3kl9 s ARG 315 Cb -0.05 -3.23 0.01 0.00 0.52 0.00 0.00 34.95 32.20 3kl9 s ARG 315 CO -0.03 0.53 0.98 0.66 0.02 0.00 0.00 175.30 177.45 3kl9 n TYR 316 N 1.46 -2.37 -1.13 -0.53 4.01 -1.26 -1.68 117.16 115.65 3kl9 n TYR 316 Ca -0.03 0.84 -0.35 0.00 -0.16 0.00 0.00 57.90 58.20 3kl9 n TYR 316 Cb 0.48 -4.37 0.08 0.00 -0.31 0.00 0.00 39.34 35.23 3kl9 n TYR 316 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3kl9 n ILE 317 N -4.54 1.28 -3.19 -0.72 -0.00 -1.26 -3.48 119.36 107.45 3kl9 n ILE 317 Ca -0.00 -0.34 -0.21 0.00 -0.00 0.00 0.00 62.75 62.19 3kl9 n ILE 317 Cb 0.55 -0.71 0.05 0.00 -0.00 0.00 0.00 39.64 39.54 3kl9 n ILE 317 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 3kl9 n HIS 318 N -2.73 -2.17 -4.12 1.39 8.25 -1.26 -5.00 115.22 109.58 3kl9 n HIS 318 Ca 0.09 0.67 -0.15 0.00 -0.26 0.00 0.00 57.72 58.08 3kl9 n HIS 318 Cb 0.51 -4.44 -0.06 0.00 1.12 0.00 0.00 29.99 27.12 3kl9 n HIS 318 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kl9 s SER 319 N -2.96 0.85 0.29 0.41 1.04 -1.23 -4.73 113.70 107.37 3kl9 s SER 319 Ca 0.39 -1.46 0.25 0.00 0.48 0.00 0.00 55.95 55.61 3kl9 s SER 319 Cb -0.17 0.61 0.97 0.00 0.10 0.00 0.00 66.02 67.53 3kl9 s SER 319 CO 0.48 -1.19 1.76 0.45 0.98 0.00 0.00 173.24 175.72 3kl9 h HIS 320 N 2.19 0.00 -2.70 5.02 3.86 -1.89 -3.39 115.15 118.24 3kl9 h HIS 320 Ca -0.28 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.32 3kl9 h HIS 320 Cb 1.24 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.31 3kl9 h HIS 320 CO 1.28 0.00 -0.79 -0.65 0.86 0.00 0.00 177.93 178.63 3kl9 s GLN 321 N -3.31 1.61 0.01 2.45 -1.52 -1.26 -3.83 119.66 113.81 3kl9 s GLN 321 Ca 0.05 -2.67 -0.17 0.00 -1.95 0.00 0.00 55.36 50.62 3kl9 s GLN 321 Cb 0.10 -2.33 -0.06 0.00 -0.22 0.00 0.00 33.01 30.50 3kl9 s GLN 321 CO 0.47 -1.34 0.48 0.99 -0.25 0.00 0.00 175.29 175.63 3kl9 s THR 322 N -0.62 4.95 -0.12 -0.19 2.01 0.78 -4.70 115.64 117.75 3kl9 s THR 322 Ca 0.29 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.30 3kl9 s THR 322 Cb -0.00 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.73 3kl9 s THR 322 CO -0.18 0.53 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.89 3kl9 s LEU 323 N -0.81 1.79 0.24 4.42 0.20 -0.68 -1.37 118.68 122.47 3kl9 s LEU 323 Ca 0.26 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.57 3kl9 s LEU 323 Cb -0.17 -1.17 -0.02 0.00 -0.43 0.00 0.00 46.19 44.39 3kl9 s LEU 323 CO 0.15 0.01 0.28 -0.72 -0.29 0.00 0.00 176.35 175.78 3kl9 s TYR 324 N 1.05 0.99 -0.13 5.38 -0.85 -0.48 -1.61 117.35 121.70 3kl9 s TYR 324 Ca -0.05 -1.22 -0.02 0.00 -0.52 0.00 0.00 57.07 55.27 3kl9 s TYR 324 Cb -0.15 -0.31 -0.03 0.00 0.38 0.00 0.00 41.96 41.85 3kl9 s TYR 324 CO -0.03 -0.82 -0.06 0.00 -1.52 0.00 0.00 175.55 173.12 3kl9 s ALA 325 N -3.92 2.93 0.14 9.51 0.00 -1.26 -0.32 121.76 128.83 3kl9 s ALA 325 Ca 0.34 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 3kl9 s ALA 325 Cb 0.04 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 3kl9 s ALA 325 CO 0.14 0.31 1.56 0.52 0.00 0.00 0.00 175.76 178.28 3kl9 h MET 326 N 6.35 0.83 -0.94 0.00 0.00 -1.78 -2.84 114.93 116.55 3kl9 h MET 326 Ca -0.34 -0.31 0.29 0.00 0.00 0.00 0.00 59.70 59.34 3kl9 h MET 326 Cb 1.19 -0.05 -0.15 0.00 0.00 0.00 0.00 31.60 32.58 3kl9 h MET 326 CO 0.59 0.93 0.36 0.22 0.00 0.00 0.00 176.91 179.01 3kl9 h ASP 327 N 0.66 0.16 -0.23 1.22 -0.00 -1.95 -0.34 116.42 115.93 3kl9 h ASP 327 Ca 0.12 0.21 0.00 0.00 -0.00 0.00 0.00 57.03 57.36 3kl9 h ASP 327 Cb 0.61 0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 40.17 3kl9 h ASP 327 CO 0.04 -0.20 0.15 0.44 -0.00 0.00 0.00 179.24 179.67 3kl9 h ASP 328 N 0.21 0.27 -0.64 2.28 3.32 -1.85 -2.63 116.42 117.38 3kl9 h ASP 328 Ca 0.65 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.80 3kl9 h ASP 328 Cb 1.43 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.82 3kl9 h ASP 328 CO -0.68 0.21 0.15 0.15 -1.72 0.00 0.00 179.24 177.35 3kl9 h PHE 329 N 0.30 0.24 -0.92 4.55 3.57 -1.11 -0.61 116.94 122.96 3kl9 h PHE 329 Ca 0.08 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3kl9 h PHE 329 Cb -0.02 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 3kl9 h PHE 329 CO -0.06 -0.03 0.61 -0.07 -2.23 0.00 0.00 178.31 176.53 3kl9 h LEU 330 N 0.28 1.06 0.23 0.59 3.38 -1.21 0.20 115.31 119.83 3kl9 h LEU 330 Ca 0.34 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3kl9 h LEU 330 Cb 0.52 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kl9 h LEU 330 CO -0.42 0.78 -0.11 -0.33 0.09 0.00 0.00 178.44 178.45 3kl9 h GLU 331 N 1.25 -0.29 -0.29 1.13 4.39 -1.02 -1.23 114.58 118.51 3kl9 h GLU 331 Ca 0.34 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.13 3kl9 h GLU 331 Cb -0.14 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.50 3kl9 h GLU 331 CO -0.07 -0.02 -0.21 0.00 -1.16 0.00 0.00 179.01 177.55 3kl9 h ALA 332 N 0.15 -0.03 0.05 3.43 0.00 -0.97 -0.75 119.26 121.14 3kl9 h ALA 332 Ca -0.03 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3kl9 h ALA 332 Cb 0.41 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3kl9 h ALA 332 CO 0.05 -0.62 -0.15 0.37 0.00 0.00 0.00 179.25 178.90 3kl9 h GLN 333 N -0.19 -0.27 -0.90 0.00 5.75 -0.58 -0.08 115.11 118.84 3kl9 h GLN 333 Ca 0.15 0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.81 3kl9 h GLN 333 Cb 0.43 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.97 3kl9 h GLN 333 CO -0.41 -0.18 0.58 0.00 -2.65 0.00 0.00 178.83 176.18 3kl9 h ALA 334 N 0.62 1.80 -0.35 3.38 0.00 -1.01 -1.64 119.26 122.06 3kl9 h ALA 334 Ca 0.04 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3kl9 h ALA 334 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kl9 h ALA 334 CO -0.11 -0.04 -0.41 0.35 0.00 0.00 0.00 179.25 179.04 3kl9 h PHE 335 N 0.72 1.04 -0.57 0.00 -0.00 -0.19 -2.53 116.94 115.41 3kl9 h PHE 335 Ca 0.45 -0.32 -0.09 0.00 -0.00 0.00 0.00 57.97 58.02 3kl9 h PHE 335 Cb 0.70 -0.22 -0.02 0.00 -0.00 0.00 0.00 35.95 36.41 3kl9 h PHE 335 CO -0.00 1.12 0.01 1.25 -0.00 0.00 0.00 178.31 180.69 3kl9 h LEU 336 N 0.70 0.96 0.16 0.59 6.46 -0.16 -1.08 115.31 122.94 3kl9 h LEU 336 Ca 0.05 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 3kl9 h LEU 336 Cb 0.99 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 3kl9 h LEU 336 CO 0.10 1.01 -0.08 1.56 -0.62 0.00 0.00 178.44 180.41 3kl9 h GLN 337 N 0.91 -0.21 -0.60 1.25 4.20 -1.27 -1.47 115.11 117.91 3kl9 h GLN 337 Ca 0.17 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.92 3kl9 h GLN 337 Cb 0.51 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3kl9 h GLN 337 CO 0.03 0.05 0.37 0.00 -0.67 0.00 0.00 178.83 178.61 3kl9 h ALA 338 N 0.34 0.78 0.16 3.87 0.00 -1.42 -0.69 119.26 122.30 3kl9 h ALA 338 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kl9 h ALA 338 Cb 0.36 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3kl9 h ALA 338 CO 0.04 0.11 -0.34 -0.07 0.00 0.00 0.00 179.25 178.99 3kl9 h LEU 339 N 0.73 -0.98 -1.30 0.00 3.38 -1.08 -1.02 115.31 115.05 3kl9 h LEU 339 Ca 0.24 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 3kl9 h LEU 339 Cb 0.02 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3kl9 h LEU 339 CO -0.10 -0.44 -0.32 -0.37 0.09 0.00 0.00 178.44 177.30 3kl9 h VAL 340 N -0.60 1.24 -0.35 1.22 -1.51 -1.10 -2.39 116.25 112.77 3kl9 h VAL 340 Ca 0.02 -1.15 -0.15 0.00 -1.23 0.00 0.00 66.70 64.19 3kl9 h VAL 340 Cb 0.61 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 3kl9 h VAL 340 CO -0.18 0.33 -0.36 0.11 -1.23 0.00 0.00 177.57 176.25 3kl9 h LYS 341 N 0.04 0.81 0.00 5.19 1.57 -0.87 -3.07 116.57 120.25 3kl9 h LYS 341 Ca 0.00 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3kl9 h LYS 341 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3kl9 h LYS 341 CO 0.04 1.04 0.00 0.87 -0.57 0.00 0.00 179.45 180.83 3kl9 h LYS 342 N 0.67 0.00 -6.37 3.15 6.56 -1.02 -3.43 116.57 116.13 3kl9 h LYS 342 Ca 0.06 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.09 3kl9 h LYS 342 Cb 0.92 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.53 3kl9 h LYS 342 CO 0.08 0.00 0.99 -0.51 -2.06 0.00 0.00 179.45 177.95 3kl9 s LEU 343 N -6.03 3.85 0.00 2.94 1.43 -0.91 -4.73 118.68 115.22 3kl9 s LEU 343 Ca 0.06 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 3kl9 s LEU 343 Cb 0.06 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.74 3kl9 s LEU 343 CO 0.63 -1.13 0.00 -0.90 0.23 0.00 0.00 176.35 175.18 3kl9 n ASP 344 N 7.81 0.00 -0.06 2.29 3.85 -1.26 -3.31 116.55 125.86 3kl9 n ASP 344 Ca 0.15 -0.88 -0.08 0.00 -0.71 0.00 0.00 54.79 53.27 3kl9 n ASP 344 Cb 0.47 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.22 3kl9 n ASP 344 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 3kl9 h ARG 345 N 0.00 0.12 -0.26 0.11 9.65 -1.82 -1.09 114.38 121.09 3kl9 h ARG 345 Ca 0.00 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 3kl9 h ARG 345 Cb 0.00 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 3kl9 h ARG 345 CO 0.00 0.08 0.01 0.77 2.80 0.00 0.00 179.97 183.63 3kl9 h SER 346 N 0.12 -0.09 0.04 -3.80 0.02 -1.95 -2.27 113.55 105.62 3kl9 h SER 346 Ca 0.12 0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 60.87 3kl9 h SER 346 Cb 0.13 0.10 0.02 0.00 0.14 0.00 0.00 62.40 62.78 3kl9 h SER 346 CO -0.17 -0.01 -0.98 0.71 -1.14 0.00 0.00 176.83 175.24 3kl9 h THR 347 N 0.09 1.30 -0.17 -2.27 1.35 -1.77 -1.65 112.91 109.78 3kl9 h THR 347 Ca 0.12 -2.23 -0.15 0.00 -0.55 0.00 0.00 66.41 63.60 3kl9 h THR 347 Cb 0.16 2.32 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 3kl9 h THR 347 CO -0.20 0.69 -0.54 -0.37 -0.25 0.00 0.00 175.52 174.85 3kl9 h VAL 348 N 0.39 1.33 -0.80 6.82 -1.51 -1.26 0.37 116.25 121.59 3kl9 h VAL 348 Ca -0.11 -1.79 0.07 0.00 -1.23 0.00 0.00 66.70 63.65 3kl9 h VAL 348 Cb 1.63 1.78 -0.06 0.00 -2.13 0.00 0.00 31.29 32.51 3kl9 h VAL 348 CO 0.19 0.55 0.47 0.44 -1.23 0.00 0.00 177.57 178.00 3kl9 h ASP 349 N 0.38 0.71 -0.23 4.19 5.19 -1.36 0.51 116.42 125.81 3kl9 h ASP 349 Ca 0.01 0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.30 3kl9 h ASP 349 Cb 1.06 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 3kl9 h ASP 349 CO 0.10 0.44 -0.41 0.25 -3.12 0.00 0.00 179.24 176.50 3kl9 h LEU 350 N 0.84 0.83 -0.61 1.55 7.12 -0.97 -0.47 115.31 123.60 3kl9 h LEU 350 Ca 0.37 -0.38 0.02 0.00 0.13 0.00 0.00 57.88 58.01 3kl9 h LEU 350 Cb 0.25 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 40.11 3kl9 h LEU 350 CO -0.20 1.13 0.39 0.40 -0.13 0.00 0.00 178.44 180.03 3kl9 h ILE 351 N 0.63 1.11 -0.52 4.05 2.04 -0.24 -2.87 117.51 121.72 3kl9 h ILE 351 Ca 0.05 -0.26 -0.15 0.00 1.00 0.00 0.00 64.86 65.50 3kl9 h ILE 351 Cb 0.97 0.27 -0.09 0.00 -0.74 0.00 0.00 36.82 37.23 3kl9 h ILE 351 CO 0.09 0.14 0.19 0.29 0.00 0.00 0.00 178.15 178.86 3kl9 n LYS 352 N -4.70 2.91 -2.22 2.37 5.02 0.17 -4.33 118.16 117.39 3kl9 n LYS 352 Ca 0.05 -2.12 -0.35 0.00 -2.02 0.00 0.00 58.31 53.87 3kl9 n LYS 352 Cb 0.06 -1.94 -0.04 0.00 -0.02 0.00 0.00 35.03 33.09 3kl9 n LYS 352 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3kl9 s HIS 353 N -2.23 1.97 -1.80 2.13 2.46 -0.22 -4.96 115.29 112.64 3kl9 s HIS 353 Ca 0.38 0.30 0.14 0.00 0.47 0.00 0.00 55.06 56.36 3kl9 s HIS 353 Cb 0.30 -4.27 0.11 0.00 -0.13 0.00 0.00 32.58 28.60 3kl9 s HIS 353 CO 0.09 -2.00 0.96 0.66 -2.47 0.00 0.00 174.74 171.98