#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl9 h MET 1 N 0.00 0.74 -1.01 -1.46 2.07 -1.99 -2.53 114.93 110.75 3kl9 h MET 1 Ca 0.00 -0.49 0.04 0.00 -2.07 0.00 0.00 59.70 57.18 3kl9 h MET 1 Cb 0.00 0.06 -0.06 0.00 -1.87 0.00 0.00 31.60 29.73 3kl9 h MET 1 CO 0.00 1.11 0.66 1.79 1.07 0.00 0.00 176.91 181.54 3kl9 h THR 2 N 0.56 1.17 -0.05 2.22 1.35 -2.00 -2.19 112.91 113.97 3kl9 h THR 2 Ca 0.01 -0.44 -0.03 0.00 -0.55 0.00 0.00 66.41 65.40 3kl9 h THR 2 Cb 1.16 -0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.37 3kl9 h THR 2 CO 0.12 0.23 -0.08 0.74 -0.25 0.00 0.00 175.52 176.28 3kl9 h THR 3 N 1.27 1.41 -0.75 6.82 2.02 -2.00 -3.04 112.91 118.64 3kl9 h THR 3 Ca 0.40 -1.34 0.16 0.00 0.77 0.00 0.00 66.41 66.39 3kl9 h THR 3 Cb 0.00 2.18 -0.10 0.00 -1.74 0.00 0.00 68.15 68.50 3kl9 h THR 3 CO -0.13 0.37 0.25 0.25 0.37 0.00 0.00 175.52 176.63 3kl9 h LEU 4 N -0.34 0.15 -0.07 2.58 6.46 -1.25 -1.39 115.31 121.44 3kl9 h LEU 4 Ca 0.00 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3kl9 h LEU 4 Cb 0.64 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.70 3kl9 h LEU 4 CO 0.02 0.03 0.04 0.15 -0.62 0.00 0.00 178.44 178.06 3kl9 h PHE 5 N 0.35 0.08 -0.60 1.25 3.04 -1.43 -0.55 116.94 119.09 3kl9 h PHE 5 Ca 0.42 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.48 3kl9 h PHE 5 Cb 0.69 -0.03 -0.08 0.00 2.56 0.00 0.00 35.95 39.10 3kl9 h PHE 5 CO -0.21 0.05 0.17 0.77 -2.02 0.00 0.00 178.31 177.07 3kl9 h SER 6 N 0.09 0.09 -0.70 0.41 0.02 -1.19 0.69 113.55 112.95 3kl9 h SER 6 Ca 0.03 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3kl9 h SER 6 Cb -0.01 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3kl9 h SER 6 CO -0.01 0.05 0.40 0.11 -1.14 0.00 0.00 176.83 176.24 3kl9 h LYS 7 N 0.31 0.97 -0.36 3.45 1.57 -0.89 -1.49 116.57 120.13 3kl9 h LYS 7 Ca 0.31 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 3kl9 h LYS 7 Cb 0.44 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3kl9 h LYS 7 CO -0.37 0.72 -0.12 0.82 -0.57 0.00 0.00 179.45 179.93 3kl9 h ILE 8 N 0.96 1.28 -0.68 1.86 2.04 -0.03 -2.70 117.51 120.25 3kl9 h ILE 8 Ca 0.25 -1.21 0.08 0.00 1.00 0.00 0.00 64.86 64.97 3kl9 h ILE 8 Cb 0.02 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3kl9 h ILE 8 CO -0.04 0.40 0.35 0.50 0.00 0.00 0.00 178.15 179.36 3kl9 h LYS 9 N 0.51 0.61 0.39 2.37 3.64 0.67 -1.58 116.57 123.17 3kl9 h LYS 9 Ca 0.09 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3kl9 h LYS 9 Cb 0.64 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3kl9 h LYS 9 CO 0.04 0.40 -0.26 1.49 -2.27 0.00 0.00 179.45 178.85 3kl9 h GLU 10 N 0.62 -0.61 -0.19 1.90 4.81 -1.23 -2.87 114.58 117.01 3kl9 h GLU 10 Ca 0.32 0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.42 3kl9 h GLU 10 Cb 0.28 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 3kl9 h GLU 10 CO -0.23 -0.41 -0.59 -0.39 -0.73 0.00 0.00 179.01 176.66 3kl9 h VAL 11 N -0.64 1.32 0.00 0.32 -1.51 -1.26 -3.09 116.25 111.39 3kl9 h VAL 11 Ca -0.04 -1.84 0.00 0.00 -1.23 0.00 0.00 66.70 63.59 3kl9 h VAL 11 Cb 0.54 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3kl9 h VAL 11 CO 0.02 0.57 0.00 0.71 -1.23 0.00 0.00 177.57 177.65 3kl9 h THR 12 N 0.45 0.00 -0.01 7.19 1.35 -1.38 -3.10 112.91 117.41 3kl9 h THR 12 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3kl9 h THR 12 Cb 1.15 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3kl9 h THR 12 CO 0.11 0.00 -0.34 -0.62 -0.25 0.00 0.00 175.52 174.42 3kl9 n GLU 13 N -2.91 1.10 -2.18 4.72 1.02 -1.08 -4.72 120.64 116.59 3kl9 n GLU 13 Ca 0.03 -0.80 -0.35 0.00 -0.02 0.00 0.00 57.16 56.02 3kl9 n GLU 13 Cb 0.42 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.45 3.71 -0.29 -4.62 1.43 -1.17 -5.02 118.68 110.26 3kl9 s LEU 14 Ca 0.22 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.55 3kl9 s LEU 14 Cb 0.19 -4.58 0.08 0.00 0.03 0.00 0.00 46.19 41.91 3kl9 s LEU 14 CO 0.53 -1.31 -0.03 0.00 0.23 0.00 0.00 176.35 175.77 3kl9 s ALA 15 N -1.79 2.60 -0.26 4.21 0.00 -1.26 -5.05 121.76 120.21 3kl9 s ALA 15 Ca 0.73 -2.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 3kl9 s ALA 15 Cb -0.25 -1.74 0.13 0.00 0.00 0.00 0.00 23.12 21.27 3kl9 s ALA 15 CO 0.29 -1.43 0.34 0.00 0.00 0.00 0.00 175.76 174.96 3kl9 s ALA 16 N 1.07 -0.81 0.39 0.00 0.00 -1.26 -4.75 121.76 116.39 3kl9 s ALA 16 Ca 0.01 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 3kl9 s ALA 16 Cb -0.19 -1.76 -0.07 0.00 0.00 0.00 0.00 23.12 21.10 3kl9 s ALA 16 CO -0.07 -1.51 0.76 0.08 0.00 0.00 0.00 175.76 175.02 3kl9 s VAL 17 N 2.46 4.77 0.09 0.00 1.01 -1.26 -0.67 120.40 126.80 3kl9 s VAL 17 Ca 0.10 0.66 -0.33 0.00 0.00 0.00 0.00 61.98 62.42 3kl9 s VAL 17 Cb -0.14 -3.71 -0.18 0.00 0.00 0.00 0.00 36.38 32.34 3kl9 s VAL 17 CO -0.24 -0.47 0.78 -1.20 0.00 0.00 0.00 175.10 173.97 3kl9 n SER 18 N -1.16 -0.56 0.00 3.32 7.64 -1.24 -0.94 113.62 120.67 3kl9 n SER 18 Ca 0.03 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.00 3kl9 n SER 18 Cb 0.54 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 1.66 1.10 2.75 0.23 0.00 -1.26 -4.84 105.19 104.82 3kl9 n GLY 19 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 1.33 -0.61 1.61 -0.00 -0.12 -4.94 115.22 110.49 3kl9 n HIS 20 Ca 0.00 -2.33 -0.05 0.00 -0.00 0.00 0.00 57.72 55.35 3kl9 n HIS 20 Cb 0.00 -0.27 0.25 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 -0.46 3.22 -0.14 -0.41 0.00 -1.25 -4.19 120.64 117.40 3kl9 n GLU 21 Ca 0.10 -2.45 -0.04 0.00 0.00 0.00 0.00 57.16 54.76 3kl9 n GLU 21 Cb 0.81 -2.04 0.04 0.00 0.00 0.00 0.00 31.44 30.26 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 2.59 0.53 -0.73 -1.84 0.00 -1.93 0.18 119.26 118.07 3kl9 h ALA 22 Ca 0.21 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.27 3kl9 h ALA 22 Cb 2.02 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.77 3kl9 h ALA 22 CO 0.60 -0.23 0.39 -1.35 0.00 0.00 0.00 179.25 178.65 3kl9 h PRO 23 N 0.33 0.64 -0.38 0.00 0.11 -1.86 0.24 132.00 131.09 3kl9 h PRO 23 Ca 0.21 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.15 3kl9 h PRO 23 Cb 0.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3kl9 h PRO 23 CO -0.21 0.42 -0.27 0.28 -0.21 0.00 0.00 178.00 178.02 3kl9 h VAL 24 N 0.66 1.28 -0.31 3.15 2.07 -1.74 -2.21 116.25 119.15 3kl9 h VAL 24 Ca 0.35 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.47 3kl9 h VAL 24 Cb 0.34 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3kl9 h VAL 24 CO -0.25 0.47 0.14 -0.09 0.02 0.00 0.00 177.57 177.87 3kl9 h ARG 25 N 0.65 0.30 -0.53 1.57 2.43 -0.12 -0.49 114.38 118.19 3kl9 h ARG 25 Ca 0.07 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 3kl9 h ARG 25 Cb 0.84 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.25 3kl9 h ARG 25 CO 0.07 0.20 0.10 0.00 -1.51 0.00 0.00 179.97 178.82 3kl9 h ALA 26 N 1.17 0.59 -0.13 2.80 0.00 -0.42 0.21 119.26 123.48 3kl9 h ALA 26 Ca 0.13 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3kl9 h ALA 26 Cb 0.06 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kl9 h ALA 26 CO -0.10 -0.32 -0.02 -0.92 0.00 0.00 0.00 179.25 177.89 3kl9 h TYR 27 N 0.23 -0.05 -0.52 0.00 5.03 -1.01 -2.56 116.97 118.09 3kl9 h TYR 27 Ca 0.27 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.55 3kl9 h TYR 27 Cb 0.38 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 3kl9 h TYR 27 CO -0.24 -0.05 0.15 -0.07 -1.32 0.00 0.00 178.16 176.63 3kl9 h LEU 28 N 0.01 0.77 -0.70 2.82 3.38 -0.30 -2.55 115.31 118.74 3kl9 h LEU 28 Ca 0.06 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 57.93 3kl9 h LEU 28 Cb 0.09 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 3kl9 h LEU 28 CO -0.13 0.79 0.29 -0.09 0.09 0.00 0.00 178.44 179.39 3kl9 h ARG 29 N 0.72 0.46 0.00 1.13 2.43 -0.57 0.46 114.38 119.01 3kl9 h ARG 29 Ca 0.17 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3kl9 h ARG 29 Cb 0.30 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3kl9 h ARG 29 CO -0.00 0.30 -0.21 1.49 -1.51 0.00 0.00 179.97 180.04 3kl9 h GLU 30 N 0.47 0.00 0.00 0.20 4.22 -1.21 -1.64 114.58 116.63 3kl9 h GLU 30 Ca 0.36 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.66 3kl9 h GLU 30 Cb 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3kl9 h GLU 30 CO -0.34 0.21 -1.88 1.63 -2.18 0.00 0.00 179.01 176.46 3kl9 n LYS 31 N -3.52 0.65 -0.06 1.92 5.02 -0.57 -4.53 118.16 117.07 3kl9 n LYS 31 Ca -0.01 -0.02 -0.06 0.00 -2.02 0.00 0.00 58.31 56.20 3kl9 n LYS 31 Cb 0.36 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 3kl9 n LYS 31 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kl9 h LEU 32 N 0.00 -0.00 -0.92 -0.35 4.07 0.02 -3.41 115.31 114.72 3kl9 h LEU 32 Ca -0.19 -0.45 0.18 0.00 0.08 0.00 0.00 57.88 57.49 3kl9 h LEU 32 Cb 1.49 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 43.06 3kl9 h LEU 32 CO 0.02 0.72 -0.26 0.74 -1.08 0.00 0.00 178.44 178.58 3kl9 h THR 33 N -1.00 0.07 0.00 0.22 2.02 -1.52 -1.23 112.91 111.47 3kl9 h THR 33 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kl9 h THR 33 Cb 0.46 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3kl9 h THR 33 CO 0.00 0.00 0.00 -2.65 0.37 0.00 0.00 175.52 173.24 3kl9 n PRO 34 N -5.57 0.11 -0.05 6.66 -0.02 -1.26 -3.05 135.00 131.81 3kl9 n PRO 34 Ca 0.13 0.41 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 3kl9 n PRO 34 Cb 0.45 -1.73 0.11 0.00 -0.02 0.00 0.00 33.50 32.31 3kl9 n PRO 34 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kl9 n HIS 35 N -1.93 0.00 -3.89 6.00 8.25 -0.47 -5.03 115.22 118.15 3kl9 n HIS 35 Ca 0.02 -0.88 -0.10 0.00 -0.26 0.00 0.00 57.72 56.49 3kl9 n HIS 35 Cb 0.16 -0.13 -0.10 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.43 0.10 0.29 1.59 1.01 -1.17 -4.71 120.40 115.08 3kl9 s VAL 36 Ca 0.24 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.47 3kl9 s VAL 36 Cb 0.21 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 36.04 3kl9 s VAL 36 CO 0.02 -0.46 1.67 0.44 0.00 0.00 0.00 175.10 176.78 3kl9 h ASP 37 N 4.09 0.18 -3.95 3.32 3.32 -1.70 -3.47 116.42 118.21 3kl9 h ASP 37 Ca -0.31 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 3kl9 h ASP 37 Cb 1.19 -0.05 -0.21 0.00 0.22 0.00 0.00 39.33 40.48 3kl9 h ASP 37 CO 0.44 0.64 0.09 -0.70 -1.72 0.00 0.00 179.24 177.98 3kl9 s GLU 38 N -3.97 0.80 -0.25 3.56 2.12 -1.18 -5.02 118.70 114.77 3kl9 s GLU 38 Ca -0.04 0.96 -0.00 0.00 0.36 0.00 0.00 54.97 56.26 3kl9 s GLU 38 Cb 0.13 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.94 3kl9 s GLU 38 CO 0.77 -0.10 -0.09 0.08 -0.54 0.00 0.00 175.26 175.39 3kl9 s VAL 39 N 0.41 2.61 0.35 3.70 1.01 -1.26 -0.25 120.40 126.97 3kl9 s VAL 39 Ca -0.00 -1.18 0.09 0.00 0.00 0.00 0.00 61.98 60.88 3kl9 s VAL 39 Cb -0.05 -2.36 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 3kl9 s VAL 39 CO 0.00 0.17 -0.08 0.68 0.00 0.00 0.00 175.10 175.87 3kl9 s VAL 40 N 1.26 2.14 0.01 2.92 -7.23 1.00 -4.95 120.40 115.55 3kl9 s VAL 40 Ca -0.02 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 57.99 3kl9 s VAL 40 Cb -0.17 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 3kl9 s VAL 40 CO -0.06 -0.19 -0.04 0.28 -0.31 0.00 0.00 175.10 174.79 3kl9 s THR 41 N -2.67 0.29 0.66 5.32 -1.32 -1.26 -0.20 115.64 116.46 3kl9 s THR 41 Ca 0.33 -0.36 -0.01 0.00 -1.21 0.00 0.00 61.69 60.44 3kl9 s THR 41 Cb 0.04 -0.29 0.09 0.00 -1.51 0.00 0.00 72.50 70.82 3kl9 s THR 41 CO 0.16 -0.05 0.92 1.51 -2.21 0.00 0.00 174.62 174.96 3kl9 s ASP 42 N -0.44 4.71 0.58 8.08 1.47 -0.25 -4.96 116.67 125.86 3kl9 s ASP 42 Ca -0.02 -0.13 0.28 0.00 1.18 0.00 0.00 52.55 53.86 3kl9 s ASP 42 Cb -0.03 -0.46 1.62 0.00 -0.34 0.00 0.00 42.92 43.71 3kl9 s ASP 42 CO -0.00 -1.59 2.09 1.23 0.68 0.00 0.00 175.17 177.58 3kl9 h GLY 43 N -0.35 0.00 -0.75 2.12 0.00 -1.90 -2.93 103.07 99.26 3kl9 h GLY 43 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3kl9 h GLY 43 CO 0.47 0.00 -0.50 1.04 0.00 0.00 0.00 176.54 177.55 3kl9 n LEU 44 N -3.87 1.71 0.00 3.11 4.32 -1.26 -4.96 117.00 116.05 3kl9 n LEU 44 Ca 0.02 -0.72 0.00 0.00 -0.02 0.00 0.00 56.01 55.29 3kl9 n LEU 44 Cb 0.34 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 3kl9 n LEU 44 CO 0.28 0.33 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 3kl9 n GLY 45 N 1.33 1.18 3.73 -0.72 0.00 -1.11 -4.93 105.19 104.67 3kl9 n GLY 45 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.91 2.64 -0.06 -0.02 0.00 -1.26 -4.82 107.32 102.89 3kl9 s GLY 46 Ca 0.00 0.90 -0.03 0.00 0.00 0.00 0.00 44.72 45.59 3kl9 s GLY 46 CO 0.00 1.86 0.09 -0.26 0.00 0.00 0.00 173.10 174.78 3kl9 s ILE 47 N 0.17 4.90 -0.09 0.90 -5.25 -1.16 -1.09 121.20 119.58 3kl9 s ILE 47 Ca 0.53 -0.17 -0.06 0.00 -0.99 0.00 0.00 60.65 59.96 3kl9 s ILE 47 Cb -0.31 -3.17 0.03 0.00 2.95 0.00 0.00 42.46 41.96 3kl9 s ILE 47 CO 0.34 0.49 0.23 -0.36 -1.79 0.00 0.00 174.94 173.85 3kl9 s PHE 48 N -1.08 -0.28 -0.06 1.37 0.40 0.72 -1.62 117.98 117.44 3kl9 s PHE 48 Ca 0.19 0.67 -0.23 0.00 -0.60 0.00 0.00 56.93 56.96 3kl9 s PHE 48 Cb -0.12 0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.42 3kl9 s PHE 48 CO 0.09 -0.18 0.67 0.20 0.70 0.00 0.00 175.22 176.70 3kl9 s GLY 49 N 0.75 2.61 -0.21 4.36 0.00 0.34 -0.00 107.32 115.17 3kl9 s GLY 49 Ca -0.05 0.10 -0.13 0.00 0.00 0.00 0.00 44.72 44.63 3kl9 s GLY 49 CO -0.04 1.08 0.29 -0.42 0.00 0.00 0.00 173.10 174.00 3kl9 s ILE 50 N 0.60 5.28 -0.45 0.90 1.01 0.65 -0.15 121.20 129.05 3kl9 s ILE 50 Ca 0.35 0.47 -0.03 0.00 0.00 0.00 0.00 60.65 61.45 3kl9 s ILE 50 Cb -0.18 -3.62 0.12 0.00 0.01 0.00 0.00 42.46 38.79 3kl9 s ILE 50 CO 0.17 0.30 0.24 -0.75 0.00 0.00 0.00 174.94 174.91 3kl9 s LYS 51 N 1.11 2.08 0.55 2.79 2.20 0.19 -2.03 119.74 126.64 3kl9 s LYS 51 Ca 0.14 -1.95 -0.21 0.00 -0.36 0.00 0.00 55.97 53.58 3kl9 s LYS 51 Cb -0.14 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 3kl9 s LYS 51 CO 0.06 -1.09 1.33 -1.01 -0.36 0.00 0.00 175.35 174.28 3kl9 s HIS 52 N 0.91 2.30 -0.03 4.03 3.76 -1.26 -1.94 115.29 123.06 3kl9 s HIS 52 Ca 0.10 1.40 0.04 0.00 -0.15 0.00 0.00 55.06 56.45 3kl9 s HIS 52 Cb -0.22 -3.75 -0.03 0.00 1.11 0.00 0.00 32.58 29.69 3kl9 s HIS 52 CO -0.04 -2.79 -0.15 0.45 -0.85 0.00 0.00 174.74 171.36 3kl9 s SER 53 N -1.05 4.01 0.31 1.40 0.15 -1.26 -4.86 113.70 112.41 3kl9 s SER 53 Ca 0.72 -0.23 0.26 0.00 0.70 0.00 0.00 55.95 57.40 3kl9 s SER 53 Cb -0.39 -0.82 0.85 0.00 -1.71 0.00 0.00 66.02 63.95 3kl9 s SER 53 CO 0.46 0.33 1.76 -0.33 1.20 0.00 0.00 173.24 176.65 3kl9 h GLU 54 N 5.17 0.00 -6.96 5.44 5.08 -1.94 -3.46 114.58 117.91 3kl9 h GLU 54 Ca -0.47 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.36 3kl9 h GLU 54 Cb 1.15 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.50 3kl9 h GLU 54 CO 0.50 0.00 0.67 0.00 -1.00 0.00 0.00 179.01 179.18 3kl9 s ALA 55 N -3.25 3.30 0.05 3.43 0.00 -1.26 -4.96 121.76 119.06 3kl9 s ALA 55 Ca 0.07 1.38 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 3kl9 s ALA 55 Cb 0.10 -3.55 -0.18 0.00 0.00 0.00 0.00 23.12 19.49 3kl9 s ALA 55 CO 0.55 -1.01 1.44 0.28 0.00 0.00 0.00 175.76 177.02 3kl9 h VAL 56 N 2.47 0.29 -0.81 0.00 2.07 -1.95 -3.08 116.25 115.24 3kl9 h VAL 56 Ca -0.50 -0.17 -0.48 0.00 0.82 0.00 0.00 66.70 66.37 3kl9 h VAL 56 Cb 1.25 0.35 -0.26 0.00 -1.52 0.00 0.00 31.29 31.11 3kl9 h VAL 56 CO 0.62 0.02 0.40 -0.67 0.02 0.00 0.00 177.57 177.96 3kl9 n ASP 57 N -5.42 4.54 -4.64 0.57 -0.08 -1.26 -5.02 116.55 105.24 3kl9 n ASP 57 Ca -0.13 -3.72 -0.62 0.00 -1.51 0.00 0.00 54.79 48.81 3kl9 n ASP 57 Cb 0.37 -0.78 -0.09 0.00 2.34 0.00 0.00 41.12 42.96 3kl9 n ASP 57 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kl9 n ALA 58 N -1.05 -0.55 -1.80 -1.67 0.00 -1.17 -4.70 120.51 109.57 3kl9 n ALA 58 Ca 0.53 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.96 3kl9 n ALA 58 Cb 1.19 -2.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 3kl9 n ALA 58 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kl9 s PRO 59 N 3.89 4.63 -0.00 0.00 0.04 -1.26 -4.45 135.00 137.84 3kl9 s PRO 59 Ca 1.06 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 3kl9 s PRO 59 Cb -1.31 -2.94 -0.06 0.00 0.04 0.00 0.00 34.50 30.23 3kl9 s PRO 59 CO 0.72 0.36 1.46 1.03 0.04 0.00 0.00 177.00 180.61 3kl9 s ARG 60 N -1.80 4.26 -0.12 4.56 0.52 -1.26 -1.14 118.95 123.97 3kl9 s ARG 60 Ca 0.47 2.03 0.02 0.00 -0.52 0.00 0.00 55.73 57.73 3kl9 s ARG 60 Cb -0.20 -3.63 0.01 0.00 0.52 0.00 0.00 34.95 31.65 3kl9 s ARG 60 CO 0.26 -0.64 -0.18 0.08 0.02 0.00 0.00 175.30 174.84 3kl9 s VAL 61 N 2.67 1.74 -0.17 3.52 1.01 -0.61 -0.59 120.40 127.98 3kl9 s VAL 61 Ca 0.66 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 3kl9 s VAL 61 Cb -0.32 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3kl9 s VAL 61 CO 0.27 0.49 -0.02 -0.22 0.00 0.00 0.00 175.10 175.62 3kl9 s LEU 62 N 0.85 3.33 -0.21 3.92 2.96 -0.97 -0.87 118.68 127.69 3kl9 s LEU 62 Ca -0.08 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3kl9 s LEU 62 Cb -0.15 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.76 3kl9 s LEU 62 CO -0.01 0.16 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.32 3kl9 s VAL 63 N 0.45 2.07 -0.03 1.68 1.01 0.34 -1.21 120.40 124.71 3kl9 s VAL 63 Ca -0.02 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.80 3kl9 s VAL 63 Cb -0.14 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.28 3kl9 s VAL 63 CO 0.02 0.34 -0.02 0.00 0.00 0.00 0.00 175.10 175.45 3kl9 s ALA 64 N 1.24 0.42 0.03 5.51 0.00 -0.76 -1.23 121.76 126.97 3kl9 s ALA 64 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.04 3kl9 s ALA 64 Cb -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3kl9 s ALA 64 CO -0.10 -0.03 0.00 -1.13 0.00 0.00 0.00 175.76 174.49 3kl9 n SER 65 N 4.00 0.00 -4.05 0.00 3.41 -0.90 -0.54 113.62 115.54 3kl9 n SER 65 Ca -0.26 -0.55 -0.16 0.00 -0.26 0.00 0.00 58.87 57.64 3kl9 n SER 65 Cb 0.51 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.38 0.76 0.01 7.33 -3.43 -1.26 0.83 115.29 120.92 3kl9 s HIS 66 Ca 0.00 -0.33 0.09 0.00 -0.80 0.00 0.00 55.06 54.01 3kl9 s HIS 66 Cb 0.00 -0.46 -0.23 0.00 -1.43 0.00 0.00 32.58 30.46 3kl9 s HIS 66 CO 0.00 -0.03 0.88 0.52 -2.00 0.00 0.00 174.74 174.11 3kl9 h MET 67 N 5.09 0.03 -7.30 -0.38 2.86 -1.37 -3.41 114.93 110.46 3kl9 h MET 67 Ca -0.34 -0.06 -0.51 0.00 -2.06 0.00 0.00 59.70 56.74 3kl9 h MET 67 Cb 1.19 0.02 0.08 0.00 0.06 0.00 0.00 31.60 32.95 3kl9 h MET 67 CO 0.44 0.75 0.38 0.16 1.06 0.00 0.00 176.91 179.70 3kl9 s ASP 68 N -6.42 5.62 0.19 1.22 -4.77 -1.26 -4.82 116.67 106.43 3kl9 s ASP 68 Ca -0.04 1.65 0.07 0.00 -3.30 0.00 0.00 52.55 50.93 3kl9 s ASP 68 Cb 0.08 -2.50 -0.05 0.00 -1.09 0.00 0.00 42.92 39.37 3kl9 s ASP 68 CO 0.82 -1.28 -0.13 -1.83 0.70 0.00 0.00 175.17 173.45 3kl9 s GLU 69 N -4.76 1.25 0.61 2.11 -1.05 0.15 -4.19 118.70 112.82 3kl9 s GLU 69 Ca 0.59 -1.55 -0.19 0.00 -0.15 0.00 0.00 54.97 53.67 3kl9 s GLU 69 Cb -0.14 -0.96 -0.03 0.00 -0.44 0.00 0.00 34.13 32.56 3kl9 s GLU 69 CO 0.49 0.15 1.29 0.14 0.95 0.00 0.00 175.26 178.28 3kl9 s VAL 70 N -3.09 2.19 0.00 1.83 -7.23 -1.26 -3.71 120.40 109.13 3kl9 s VAL 70 Ca 0.21 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 3kl9 s VAL 70 Cb 0.00 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.89 3kl9 s VAL 70 CO 0.05 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 3kl9 n GLY 71 N 0.77 1.95 3.34 2.32 0.00 0.82 -4.60 105.19 109.79 3kl9 n GLY 71 Ca 0.14 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.48 1.61 -0.02 1.61 0.40 -0.12 -0.49 117.98 118.48 3kl9 s PHE 72 Ca 0.00 -0.95 -0.01 0.00 -0.60 0.00 0.00 56.93 55.38 3kl9 s PHE 72 Cb 0.00 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.61 3kl9 s PHE 72 CO 0.00 -0.06 0.05 1.41 0.70 0.00 0.00 175.22 177.32 3kl9 s MET 73 N -3.88 0.00 0.13 0.44 1.75 0.04 -0.05 119.30 117.74 3kl9 s MET 73 Ca 0.30 0.17 -0.32 0.00 -1.25 0.00 0.00 55.69 54.60 3kl9 s MET 73 Cb 0.06 -0.16 -0.11 0.00 2.84 0.00 0.00 34.83 37.46 3kl9 s MET 73 CO 0.10 -0.12 1.80 0.28 -0.65 0.00 0.00 175.02 176.42 3kl9 n VAL 74 N 3.87 0.27 -0.09 10.11 0.31 -0.60 -0.52 118.33 131.68 3kl9 n VAL 74 Ca -0.23 -0.05 -0.10 0.00 -0.01 0.00 0.00 64.34 63.95 3kl9 n VAL 74 Cb 0.53 -2.03 -0.13 0.00 -0.91 0.00 0.00 33.84 31.30 3kl9 n VAL 74 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kl9 n SER 75 N 5.17 1.04 -3.63 4.52 3.41 0.12 -1.26 113.62 122.98 3kl9 n SER 75 Ca 0.18 -0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.63 3kl9 n SER 75 Cb 0.36 0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 64.91 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 -2.43 0.95 -0.31 4.33 -1.05 -1.15 -4.85 118.70 114.19 3kl9 s GLU 76 Ca -0.13 -0.26 -0.08 0.00 -0.15 0.00 0.00 54.97 54.35 3kl9 s GLU 76 Cb 0.06 0.43 0.01 0.00 -0.44 0.00 0.00 34.13 34.18 3kl9 s GLU 76 CO 0.67 -0.32 0.12 0.42 0.95 0.00 0.00 175.26 177.09 3kl9 s ILE 77 N -2.27 4.18 0.83 1.83 1.01 -1.26 -1.78 121.20 123.74 3kl9 s ILE 77 Ca -0.06 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 3kl9 s ILE 77 Cb -0.01 -3.19 0.10 0.00 0.01 0.00 0.00 42.46 39.37 3kl9 s ILE 77 CO -0.01 0.01 1.14 -0.54 0.00 0.00 0.00 174.94 175.54 3kl9 s LYS 78 N 1.53 1.64 0.59 2.79 -0.14 -0.20 -4.91 119.74 121.04 3kl9 s LYS 78 Ca 0.03 1.45 0.31 0.00 -1.36 0.00 0.00 55.97 56.40 3kl9 s LYS 78 Cb -0.18 -1.81 1.85 0.00 -1.68 0.00 0.00 37.83 36.01 3kl9 s LYS 78 CO 0.04 -2.15 2.25 -1.35 -0.76 0.00 0.00 175.35 173.38 3kl9 h PRO 79 N -1.34 0.00 -0.03 -1.68 0.11 -1.97 -2.05 132.00 125.05 3kl9 h PRO 79 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kl9 h PRO 79 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kl9 h PRO 79 CO 0.46 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.86 3kl9 n ASP 80 N -3.77 0.63 0.00 -2.05 5.75 -1.26 -1.51 116.55 114.34 3kl9 n ASP 80 Ca -0.03 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 3kl9 n ASP 80 Cb 0.09 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 1.02 1.49 3.82 6.12 0.00 -0.77 -3.61 105.19 113.26 3kl9 n GLY 81 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.35 2.61 0.10 2.61 -4.23 -1.26 -4.70 115.64 108.42 3kl9 s THR 82 Ca 0.00 0.20 0.09 0.00 -1.18 0.00 0.00 61.69 60.80 3kl9 s THR 82 Cb 0.00 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 3kl9 s THR 82 CO 0.00 -0.26 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.24 3kl9 s PHE 83 N -3.27 2.45 -0.05 3.99 0.08 0.46 -1.03 117.98 120.61 3kl9 s PHE 83 Ca 0.62 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.38 3kl9 s PHE 83 Cb -0.14 -1.35 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 3kl9 s PHE 83 CO 0.53 0.32 -0.12 1.03 -0.10 0.00 0.00 175.22 176.88 3kl9 s ARG 84 N -1.88 2.58 0.33 0.44 1.81 -0.73 -2.24 118.95 119.26 3kl9 s ARG 84 Ca 0.15 -0.65 0.10 0.00 -1.72 0.00 0.00 55.73 53.61 3kl9 s ARG 84 Cb -0.10 -2.45 -0.06 0.00 -0.45 0.00 0.00 34.95 31.89 3kl9 s ARG 84 CO 0.07 0.64 -0.07 0.14 -0.68 0.00 0.00 175.30 175.39 3kl9 s VAL 85 N -0.77 2.42 -0.03 3.52 -7.23 -1.26 0.11 120.40 117.15 3kl9 s VAL 85 Ca 0.12 -2.16 0.07 0.00 -1.81 0.00 0.00 61.98 58.20 3kl9 s VAL 85 Cb -0.11 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 3kl9 s VAL 85 CO 0.01 -0.23 -0.23 0.54 -0.31 0.00 0.00 175.10 174.88 3kl9 s VAL 86 N -2.56 1.88 0.21 1.32 0.11 0.32 -4.23 120.40 117.44 3kl9 s VAL 86 Ca 0.33 -0.99 -0.30 0.00 -2.93 0.00 0.00 61.98 58.08 3kl9 s VAL 86 Cb 0.01 -1.57 -0.09 0.00 -1.53 0.00 0.00 36.38 33.19 3kl9 s VAL 86 CO 0.17 0.53 1.28 -1.83 -3.33 0.00 0.00 175.10 171.92 3kl9 s GLU 87 N -0.36 4.41 -0.35 1.54 -1.05 -1.26 -0.78 118.70 120.86 3kl9 s GLU 87 Ca 0.03 2.03 -0.06 0.00 -0.15 0.00 0.00 54.97 56.82 3kl9 s GLU 87 Cb -0.11 -3.19 0.05 0.00 -0.44 0.00 0.00 34.13 30.43 3kl9 s GLU 87 CO 0.01 -0.21 0.12 0.42 0.95 0.00 0.00 175.26 176.55 3kl9 s ILE 88 N -0.03 3.78 0.00 1.83 1.01 0.36 -4.88 121.20 123.26 3kl9 s ILE 88 Ca 0.55 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3kl9 s ILE 88 Cb -0.36 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 38.94 3kl9 s ILE 88 CO 0.39 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3kl9 n GLY 89 N 4.81 -0.65 3.67 6.18 0.00 -1.26 -0.12 105.19 117.82 3kl9 n GLY 89 Ca -0.12 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.40 1.83 -0.06 -0.02 0.00 -1.26 -4.80 107.32 100.62 3kl9 s GLY 90 Ca 0.00 0.33 0.05 0.00 0.00 0.00 0.00 44.72 45.10 3kl9 s GLY 90 CO 0.00 2.23 -0.20 -0.98 0.00 0.00 0.00 173.10 174.15 3kl9 s TRP 91 N 2.99 2.55 -0.31 1.90 0.52 -1.26 -4.92 118.94 120.42 3kl9 s TRP 91 Ca 0.49 -0.47 -0.29 0.00 0.02 0.00 0.00 56.10 55.84 3kl9 s TRP 91 Cb -0.18 -1.62 0.00 0.00 -1.15 0.00 0.00 33.47 30.52 3kl9 s TRP 91 CO 0.12 -0.05 1.27 1.21 0.02 0.00 0.00 176.95 179.51 3kl9 s ASN 92 N -0.37 6.71 0.66 2.95 3.84 -1.26 -4.92 114.94 122.55 3kl9 s ASN 92 Ca 0.03 1.17 0.41 0.00 0.21 0.00 0.00 52.86 54.68 3kl9 s ASN 92 Cb -0.12 -2.54 2.24 0.00 -0.55 0.00 0.00 41.25 40.27 3kl9 s ASN 92 CO 0.02 -1.05 2.27 -0.65 -2.79 0.00 0.00 177.10 174.90 3kl9 h PRO 93 N 9.12 0.00 0.00 0.43 0.11 -1.99 -1.23 132.00 138.44 3kl9 h PRO 93 Ca -0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 3kl9 h PRO 93 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kl9 h PRO 93 CO 1.03 0.00 -0.02 0.52 -0.21 0.00 0.00 178.00 179.33 3kl9 h MET 94 N 0.00 0.00 -0.01 1.05 2.86 -1.91 -2.97 114.93 113.94 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 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3kl9 h MET 94 CO -0.00 0.02 -0.30 1.33 1.06 0.00 0.00 176.91 179.02 3kl9 n VAL 95 N -3.72 0.00 0.05 -2.22 0.24 -0.47 -4.68 118.33 107.53 3kl9 n VAL 95 Ca -0.03 -0.35 -0.06 0.00 -2.04 0.00 0.00 64.34 61.87 3kl9 n VAL 95 Cb 0.10 1.22 -0.10 0.00 -1.47 0.00 0.00 33.84 33.59 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 2.09 1.27 -3.92 3.34 2.07 -1.59 -3.47 116.25 116.04 3kl9 h VAL 96 Ca 0.00 -2.95 -0.48 0.00 0.82 0.00 0.00 66.70 64.09 3kl9 h VAL 96 Cb 0.59 2.61 0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3kl9 h VAL 96 CO 0.00 0.72 0.40 -0.44 0.02 0.00 0.00 177.57 178.27 3kl9 s SER 97 N -6.43 6.99 -0.92 0.57 0.01 -1.26 -4.19 113.70 108.48 3kl9 s SER 97 Ca -0.00 2.02 -0.04 0.00 1.31 0.00 0.00 55.95 59.23 3kl9 s SER 97 Cb 0.09 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 3kl9 s SER 97 CO 0.81 -0.32 0.80 -1.20 0.41 0.00 0.00 173.24 173.74 3kl9 n SER 98 N 0.29 -6.99 -3.90 2.44 7.64 -1.04 -4.98 113.62 107.08 3kl9 n SER 98 Ca 0.03 -0.47 -0.15 0.00 1.01 0.00 0.00 58.87 59.30 3kl9 n SER 98 Cb 0.49 -4.99 -0.15 0.00 -1.01 0.00 0.00 64.21 58.55 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 -3.93 0.29 0.37 1.43 -1.52 -1.23 -4.93 119.66 110.12 3kl9 s GLN 99 Ca 0.25 -0.08 -0.25 0.00 -1.95 0.00 0.00 55.36 53.32 3kl9 s GLN 99 Cb -0.04 -0.31 -0.09 0.00 -0.22 0.00 0.00 33.01 32.35 3kl9 s GLN 99 CO 0.76 0.03 1.06 1.03 -0.25 0.00 0.00 175.29 177.92 3kl9 s ARG 100 N 0.15 4.30 0.20 2.91 0.52 -1.26 -1.79 118.95 123.97 3kl9 s ARG 100 Ca -0.01 1.59 -0.05 0.00 -0.52 0.00 0.00 55.73 56.74 3kl9 s ARG 100 Cb -0.04 -2.72 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 3kl9 s ARG 100 CO -0.00 -0.04 0.22 -0.06 0.02 0.00 0.00 175.30 175.43 3kl9 s PHE 101 N -1.52 0.86 -0.19 -0.53 0.08 0.16 -1.85 117.98 114.99 3kl9 s PHE 101 Ca 0.54 -1.14 -0.00 0.00 0.12 0.00 0.00 56.93 56.45 3kl9 s PHE 101 Cb -0.25 -0.32 0.01 0.00 -0.57 0.00 0.00 43.02 41.89 3kl9 s PHE 101 CO 0.31 -0.71 -0.16 0.15 -0.10 0.00 0.00 175.22 174.70 3kl9 s LYS 102 N -4.09 3.08 -0.11 0.44 1.02 0.14 -2.17 119.74 118.06 3kl9 s LYS 102 Ca 0.31 -0.78 -0.26 0.00 0.02 0.00 0.00 55.97 55.26 3kl9 s LYS 102 Cb 0.05 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 3kl9 s LYS 102 CO 0.09 -0.20 0.83 -1.17 -0.92 0.00 0.00 175.35 173.97 3kl9 s LEU 103 N 1.33 4.25 -0.39 3.17 0.20 -0.08 -1.10 118.68 126.06 3kl9 s LEU 103 Ca 0.05 1.28 -0.09 0.00 0.69 0.00 0.00 54.13 56.06 3kl9 s LEU 103 Cb -0.13 -3.27 0.05 0.00 -0.43 0.00 0.00 46.19 42.41 3kl9 s LEU 103 CO -0.11 -0.29 0.21 -0.76 -0.29 0.00 0.00 176.35 175.11 3kl9 s LEU 104 N 1.54 4.85 0.47 -0.68 1.02 0.64 -1.68 118.68 124.85 3kl9 s LEU 104 Ca 0.41 -1.28 -0.20 0.00 0.02 0.00 0.00 54.13 53.09 3kl9 s LEU 104 Cb -0.18 -1.97 -0.09 0.00 0.02 0.00 0.00 46.19 43.97 3kl9 s LEU 104 CO 0.17 -0.45 1.00 -0.89 0.02 0.00 0.00 176.35 176.20 3kl9 s THR 105 N 1.46 4.14 0.24 5.49 2.01 -0.48 -3.56 115.64 124.93 3kl9 s THR 105 Ca 0.02 1.26 -0.06 0.00 0.31 0.00 0.00 61.69 63.23 3kl9 s THR 105 Cb -0.21 -3.54 0.18 0.00 0.01 0.00 0.00 72.50 68.93 3kl9 s THR 105 CO 0.04 -0.35 1.82 -0.09 -0.69 0.00 0.00 174.62 175.34 3kl9 h ARG 106 N 1.53 1.12 0.00 4.92 2.43 -1.89 -2.15 114.38 120.34 3kl9 h ARG 106 Ca -0.49 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 3kl9 h ARG 106 Cb 1.20 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3kl9 h ARG 106 CO 0.60 0.89 0.00 -0.40 -1.51 0.00 0.00 179.97 179.55 3kl9 n ASP 107 N -4.29 0.00 0.00 -3.80 5.68 -1.26 -4.90 116.55 107.97 3kl9 n ASP 107 Ca 0.07 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.35 3kl9 n ASP 107 Cb 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 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 0.85 0.83 3.77 6.12 0.00 -0.81 -5.09 105.19 110.86 3kl9 n GLY 108 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 2.77 -0.58 1.61 3.76 -1.26 -4.84 115.29 114.75 3kl9 s HIS 109 Ca 0.00 1.49 0.04 0.00 -0.15 0.00 0.00 55.06 56.44 3kl9 s HIS 109 Cb 0.00 -3.50 0.15 0.00 1.11 0.00 0.00 32.58 30.34 3kl9 s HIS 109 CO 0.00 -1.84 0.37 -1.21 -0.85 0.00 0.00 174.74 171.21 3kl9 s GLU 110 N -2.63 1.98 -0.11 1.40 2.02 -1.26 -1.39 118.70 118.72 3kl9 s GLU 110 Ca 0.63 -2.80 -0.15 0.00 0.02 0.00 0.00 54.97 52.68 3kl9 s GLU 110 Cb -0.32 -3.03 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 3kl9 s GLU 110 CO 0.40 -1.22 0.35 0.96 0.02 0.00 0.00 175.26 175.77 3kl9 s ILE 111 N -0.67 5.22 0.25 -1.63 -5.25 -0.68 -4.88 121.20 113.56 3kl9 s ILE 111 Ca 0.22 0.69 -0.30 0.00 -0.99 0.00 0.00 60.65 60.27 3kl9 s ILE 111 Cb -0.14 -3.68 -0.10 0.00 2.95 0.00 0.00 42.46 41.50 3kl9 s ILE 111 CO -0.09 0.44 1.35 -2.84 -1.79 0.00 0.00 174.94 172.01 3kl9 s PRO 112 N -0.01 4.35 -0.02 0.37 0.02 -1.26 -0.90 135.00 137.54 3kl9 s PRO 112 Ca 0.20 2.17 -0.01 0.00 0.02 0.00 0.00 61.00 63.38 3kl9 s PRO 112 Cb -0.14 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.25 3kl9 s PRO 112 CO 0.08 -0.28 0.04 0.08 -0.33 0.00 0.00 177.00 176.58 3kl9 s VAL 113 N -0.26 -0.02 0.18 3.83 1.01 -0.92 -4.45 120.40 119.77 3kl9 s VAL 113 Ca 0.55 0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.71 3kl9 s VAL 113 Cb -0.39 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3kl9 s VAL 113 CO 0.43 0.03 -0.23 0.27 0.00 0.00 0.00 175.10 175.61 3kl9 s ILE 114 N 0.37 2.46 0.25 2.22 -4.36 -0.27 0.38 121.20 122.24 3kl9 s ILE 114 Ca -0.03 -1.92 -0.15 0.00 -0.26 0.00 0.00 60.65 58.29 3kl9 s ILE 114 Cb -0.04 -2.17 -0.08 0.00 1.25 0.00 0.00 42.46 41.42 3kl9 s ILE 114 CO -0.01 -0.07 0.66 -0.94 0.24 0.00 0.00 174.94 174.81 3kl9 s SER 115 N -2.57 6.81 -0.13 4.36 1.04 -0.74 0.12 113.70 122.60 3kl9 s SER 115 Ca 0.20 1.20 -0.08 0.00 0.48 0.00 0.00 55.95 57.74 3kl9 s SER 115 Cb -0.08 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 3kl9 s SER 115 CO 0.10 -0.07 -0.16 0.61 0.98 0.00 0.00 173.24 174.70 3kl9 n GLY 116 N 0.14 -0.91 2.89 7.32 0.00 0.99 -2.48 105.19 113.14 3kl9 n GLY 116 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 3kl9 n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kl9 s PRO 132 N -2.14 0.92 -0.13 1.61 0.04 -1.26 -4.24 135.00 129.80 3kl9 s PRO 132 Ca -0.14 -0.74 -0.13 0.00 0.04 0.00 0.00 61.00 60.04 3kl9 s PRO 132 Cb 0.02 -0.00 -0.05 0.00 0.04 0.00 0.00 34.50 34.51 3kl9 s PRO 132 CO 0.20 -1.18 0.28 0.00 0.04 0.00 0.00 177.00 176.33 3kl9 s ALA 133 N 1.21 3.66 0.19 8.56 0.00 -1.26 -4.84 121.76 129.27 3kl9 s ALA 133 Ca 0.25 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.61 3kl9 s ALA 133 Cb -0.00 -2.31 0.18 0.00 0.00 0.00 0.00 23.12 20.98 3kl9 s ALA 133 CO -0.06 0.24 1.68 0.82 0.00 0.00 0.00 175.76 178.44 3kl9 h ILE 134 N 4.41 0.59 0.00 0.00 2.04 -1.97 0.13 117.51 122.71 3kl9 h ILE 134 Ca -0.45 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3kl9 h ILE 134 Cb 1.18 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3kl9 h ILE 134 CO 0.70 0.02 0.26 0.00 0.00 0.00 0.00 178.15 179.13 3kl9 h ALA 135 N 1.45 1.22 -0.00 1.87 0.00 -1.95 0.00 119.26 121.85 3kl9 h ALA 135 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kl9 h ALA 135 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kl9 h ALA 135 CO -0.43 -0.22 -0.82 -0.25 0.00 0.00 0.00 179.25 177.53 3kl9 n ASP 136 N -2.50 1.10 -4.72 0.00 8.00 0.44 -4.71 116.55 114.16 3kl9 n ASP 136 Ca -0.02 -1.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.02 3kl9 n ASP 136 Cb 0.30 0.90 -0.03 0.00 -0.02 0.00 0.00 41.12 42.27 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 -2.71 3.71 -0.09 0.53 1.01 -0.01 -4.98 121.20 118.65 3kl9 s ILE 137 Ca 0.09 1.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.70 3kl9 s ILE 137 Cb 0.15 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 3kl9 s ILE 137 CO 0.74 0.11 1.11 -0.69 0.00 0.00 0.00 174.94 176.21 3kl9 s VAL 138 N 0.91 4.51 -0.11 2.92 1.01 -1.26 -4.61 120.40 123.76 3kl9 s VAL 138 Ca 0.60 1.81 -0.01 0.00 0.00 0.00 0.00 61.98 64.38 3kl9 s VAL 138 Cb -0.33 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 3kl9 s VAL 138 CO 0.31 -0.02 -0.08 -0.36 0.00 0.00 0.00 175.10 174.95 3kl9 s PHE 139 N 2.25 2.92 -0.07 5.22 0.40 -0.95 -0.01 117.98 127.75 3kl9 s PHE 139 Ca 0.52 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.56 3kl9 s PHE 139 Cb -0.21 -1.83 0.03 0.00 0.51 0.00 0.00 43.02 41.52 3kl9 s PHE 139 CO 0.19 0.05 0.00 0.34 0.70 0.00 0.00 175.22 176.50 3kl9 s ASP 140 N -0.08 1.51 -0.03 1.36 3.68 0.12 -0.40 116.67 122.84 3kl9 s ASP 140 Ca 0.00 -0.08 0.13 0.00 2.13 0.00 0.00 52.55 54.73 3kl9 s ASP 140 Cb -0.13 -0.42 0.38 0.00 -1.45 0.00 0.00 42.92 41.30 3kl9 s ASP 140 CO 0.03 -0.19 1.32 0.61 0.13 0.00 0.00 175.17 177.07 3kl9 n GLY 141 N 5.09 2.89 2.51 2.66 0.00 -1.26 -1.11 105.19 115.96 3kl9 n GLY 141 Ca -0.08 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 0.54 0.08 3.95 -0.02 0.00 -1.26 -4.93 105.19 103.54 3kl9 n GLY 142 Ca 0.15 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.00 3.48 -0.19 1.61 0.40 -1.26 -5.02 117.98 113.99 3kl9 s PHE 143 Ca 0.22 0.19 0.21 0.00 -0.60 0.00 0.00 56.93 56.96 3kl9 s PHE 143 Cb -0.10 -1.75 -0.06 0.00 0.51 0.00 0.00 43.02 41.62 3kl9 s PHE 143 CO 0.28 0.31 0.94 0.00 0.70 0.00 0.00 175.22 177.45 3kl9 n ALA 144 N -1.36 2.37 -3.86 5.36 0.00 -1.26 -4.69 120.51 117.06 3kl9 n ALA 144 Ca -0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 52.99 3kl9 n ALA 144 Cb 0.56 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.99 3kl9 n ALA 144 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kl9 s ASP 145 N -5.43 -0.02 0.22 0.00 3.84 -1.24 -4.57 116.67 109.49 3kl9 s ASP 145 Ca -0.02 -0.71 -0.07 0.00 -0.00 0.00 0.00 52.55 51.75 3kl9 s ASP 145 Cb 0.10 0.55 0.31 0.00 -1.38 0.00 0.00 42.92 42.49 3kl9 s ASP 145 CO 0.80 -1.08 1.81 0.50 -0.00 0.00 0.00 175.17 177.20 3kl9 h LYS 146 N 2.00 0.70 -0.54 2.11 3.64 -1.38 -2.72 116.57 120.37 3kl9 h LYS 146 Ca -0.28 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.09 3kl9 h LYS 146 Cb 1.22 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 3kl9 h LYS 146 CO 0.35 0.46 0.31 0.00 -2.27 0.00 0.00 179.45 178.30 3kl9 h ALA 147 N 1.40 0.70 -0.36 5.00 0.00 -1.92 0.24 119.26 124.33 3kl9 h ALA 147 Ca 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 3kl9 h ALA 147 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kl9 h ALA 147 CO -0.22 -0.00 -0.08 1.49 0.00 0.00 0.00 179.25 180.44 3kl9 h GLU 148 N 0.60 0.68 0.15 0.00 4.81 -1.90 0.13 114.58 119.05 3kl9 h GLU 148 Ca 0.23 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3kl9 h GLU 148 Cb 0.08 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3kl9 h GLU 148 CO -0.12 0.84 -0.12 0.00 -0.73 0.00 0.00 179.01 178.87 3kl9 h ALA 149 N 0.82 -0.26 -0.80 2.92 0.00 -1.20 -1.58 119.26 119.17 3kl9 h ALA 149 Ca 0.09 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3kl9 h ALA 149 Cb 0.58 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3kl9 h ALA 149 CO 0.03 -0.66 0.52 0.93 0.00 0.00 0.00 179.25 180.08 3kl9 h GLU 150 N -0.28 0.60 0.00 0.00 5.08 -0.81 -1.13 114.58 118.04 3kl9 h GLU 150 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kl9 h GLU 150 Cb 0.25 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3kl9 h GLU 150 CO -0.01 0.40 0.00 -1.13 -1.00 0.00 0.00 179.01 177.27 3kl9 n SER 151 N -4.51 0.35 -1.11 1.42 3.41 0.43 -1.35 113.62 112.26 3kl9 n SER 151 Ca 0.14 0.58 0.10 0.00 -0.26 0.00 0.00 58.87 59.44 3kl9 n SER 151 Cb 0.42 -0.66 0.27 0.00 -0.26 0.00 0.00 64.21 63.98 3kl9 n SER 151 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3kl9 n PHE 152 N -1.88 0.75 -0.26 7.33 3.01 -0.44 -4.94 117.46 121.04 3kl9 n PHE 152 Ca 0.03 -0.38 0.00 0.00 1.01 0.00 0.00 57.45 58.11 3kl9 n PHE 152 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 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 1.46 0.77 3.73 1.37 0.00 -0.46 -4.85 105.19 107.21 3kl9 n GLY 153 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.22 4.79 0.04 -0.61 1.01 -1.17 -4.43 121.20 118.60 3kl9 s ILE 154 Ca 0.00 1.74 -0.01 0.00 0.00 0.00 0.00 60.65 62.38 3kl9 s ILE 154 Cb 0.00 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 3kl9 s ILE 154 CO 0.00 0.30 -0.03 -0.13 0.00 0.00 0.00 174.94 175.08 3kl9 s ARG 155 N 0.33 0.47 0.12 2.79 1.81 -1.26 -4.23 118.95 118.98 3kl9 s ARG 155 Ca 0.42 -0.92 -0.35 0.00 -1.72 0.00 0.00 55.73 53.16 3kl9 s ARG 155 Cb -0.20 0.16 -0.15 0.00 -0.45 0.00 0.00 34.95 34.31 3kl9 s ARG 155 CO 0.24 -0.08 1.51 -2.30 -0.68 0.00 0.00 175.30 173.99 3kl9 n PRO 156 N 0.84 1.81 0.00 3.54 -0.02 -1.26 -1.99 135.00 137.92 3kl9 n PRO 156 Ca -0.19 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3kl9 n PRO 156 Cb 0.58 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 3.16 1.55 3.76 -1.23 0.00 -0.39 -5.01 105.19 107.03 3kl9 n GLY 157 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3kl9 n GLY 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kl9 s ASP 158 N -1.83 6.52 0.06 1.61 1.01 -0.84 -4.72 116.67 118.48 3kl9 s ASP 158 Ca 0.00 2.86 -0.26 0.00 0.71 0.00 0.00 52.55 55.86 3kl9 s ASP 158 Cb 0.00 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.23 3kl9 s ASP 158 CO 0.00 -0.77 0.80 0.28 0.21 0.00 0.00 175.17 175.69 3kl9 s THR 159 N -0.65 4.68 -0.29 -1.27 -1.32 -1.23 -1.55 115.64 114.00 3kl9 s THR 159 Ca 0.55 1.71 0.01 0.00 -1.21 0.00 0.00 61.69 62.75 3kl9 s THR 159 Cb -0.44 -4.15 0.06 0.00 -1.51 0.00 0.00 72.50 66.46 3kl9 s THR 159 CO 0.53 0.36 -0.03 -0.63 -2.21 0.00 0.00 174.62 172.65 3kl9 s ILE 160 N -0.09 2.60 -0.13 5.08 1.01 0.93 -0.26 121.20 130.35 3kl9 s ILE 160 Ca 0.40 -1.61 -0.05 0.00 0.00 0.00 0.00 60.65 59.39 3kl9 s ILE 160 Cb -0.21 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3kl9 s ILE 160 CO 0.24 -0.15 0.05 -0.69 0.00 0.00 0.00 174.94 174.39 3kl9 s VAL 161 N 1.15 4.71 0.36 2.92 1.01 -0.25 -0.95 120.40 129.35 3kl9 s VAL 161 Ca -0.05 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 3kl9 s VAL 161 Cb -0.20 -3.05 -0.12 0.00 0.00 0.00 0.00 36.38 33.02 3kl9 s VAL 161 CO -0.03 0.56 1.27 -2.65 0.00 0.00 0.00 175.10 174.25 3kl9 n PRO 162 N 2.58 2.05 -3.85 2.72 -0.02 -1.26 0.29 135.00 137.51 3kl9 n PRO 162 Ca -0.18 0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 61.66 3kl9 n PRO 162 Cb 0.53 -2.32 -0.13 0.00 -0.02 0.00 0.00 33.50 31.56 3kl9 n PRO 162 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kl9 s ASP 163 N -0.38 5.06 -0.30 2.55 2.15 -0.77 -4.69 116.67 120.30 3kl9 s ASP 163 Ca 0.57 -1.25 -0.12 0.00 0.43 0.00 0.00 52.55 52.19 3kl9 s ASP 163 Cb -0.56 -1.77 0.12 0.00 -0.30 0.00 0.00 42.92 40.41 3kl9 s ASP 163 CO 0.61 -0.29 0.68 -0.55 -0.17 0.00 0.00 175.17 175.45 3kl9 s SER 164 N 1.33 -1.07 0.58 -0.34 0.15 -1.26 -4.65 113.70 108.44 3kl9 s SER 164 Ca -0.03 1.51 -0.10 0.00 0.70 0.00 0.00 55.95 58.03 3kl9 s SER 164 Cb -0.20 2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 66.15 3kl9 s SER 164 CO 0.00 -0.22 0.97 -0.94 1.20 0.00 0.00 173.24 174.25 3kl9 s SER 165 N 2.61 6.26 -0.02 5.45 1.04 -1.26 -4.35 113.70 123.42 3kl9 s SER 165 Ca -0.07 1.30 -0.19 0.00 0.48 0.00 0.00 55.95 57.47 3kl9 s SER 165 Cb -0.10 -2.42 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 3kl9 s SER 165 CO -0.19 -0.78 0.55 0.00 0.98 0.00 0.00 173.24 173.80 3kl9 s ALA 166 N -3.04 3.51 0.02 5.32 0.00 -1.26 -4.47 121.76 121.84 3kl9 s ALA 166 Ca 0.53 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 3kl9 s ALA 166 Cb -0.11 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 3kl9 s ALA 166 CO 0.51 0.18 -0.01 0.96 0.00 0.00 0.00 175.76 177.40 3kl9 s ILE 167 N -0.18 0.10 0.25 0.00 -4.36 0.57 -4.98 121.20 112.60 3kl9 s ILE 167 Ca 0.29 -0.82 -0.30 0.00 -0.26 0.00 0.00 60.65 59.57 3kl9 s ILE 167 Cb -0.18 -0.26 -0.09 0.00 1.25 0.00 0.00 42.46 43.19 3kl9 s ILE 167 CO 0.16 -0.45 0.96 -0.22 0.24 0.00 0.00 174.94 175.63 3kl9 s LEU 168 N -1.33 4.61 0.71 0.37 2.96 -1.26 -0.51 118.68 124.23 3kl9 s LEU 168 Ca -0.15 1.98 -0.11 0.00 -0.22 0.00 0.00 54.13 55.63 3kl9 s LEU 168 Cb -0.09 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.97 3kl9 s LEU 168 CO -0.01 0.10 1.07 0.42 -1.32 0.00 0.00 176.35 176.62 3kl9 s THR 169 N -1.21 3.78 0.27 3.68 -4.23 0.23 -4.87 115.64 113.29 3kl9 s THR 169 Ca 0.42 0.58 0.01 0.00 -1.18 0.00 0.00 61.69 61.52 3kl9 s THR 169 Cb -0.26 -3.46 0.26 0.00 1.34 0.00 0.00 72.50 70.38 3kl9 s THR 169 CO 0.33 -0.75 1.72 0.00 -0.54 0.00 0.00 174.62 175.37 3kl9 h ALA 170 N -0.69 1.31 -0.00 3.99 0.00 -1.97 0.18 119.26 122.08 3kl9 h ALA 170 Ca -0.45 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kl9 h ALA 170 Cb 1.23 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kl9 h ALA 170 CO 0.61 -0.26 -0.00 0.27 0.00 0.00 0.00 179.25 179.86 3kl9 n ASN 171 N -5.00 0.08 -0.65 0.00 6.94 -1.26 -4.89 115.26 110.47 3kl9 n ASN 171 Ca 0.19 -0.80 -0.09 0.00 -0.02 0.00 0.00 54.58 53.87 3kl9 n ASN 171 Cb 0.56 -0.07 -0.04 0.00 -2.36 0.00 0.00 39.78 37.87 3kl9 n ASN 171 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3kl9 n GLU 172 N -1.02 -1.39 -0.02 -3.83 1.02 0.62 -4.80 120.64 111.22 3kl9 n GLU 172 Ca 0.21 0.75 -0.02 0.00 -0.02 0.00 0.00 57.16 58.08 3kl9 n GLU 172 Cb 0.16 -4.97 -0.12 0.00 -0.02 0.00 0.00 31.44 26.49 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 -1.15 0.65 -4.42 3.49 4.76 -1.26 -4.94 118.16 115.29 3kl9 n LYS 173 Ca -0.09 0.11 -0.22 0.00 -2.87 0.00 0.00 58.31 55.24 3kl9 n LYS 173 Cb 0.48 -1.69 -0.10 0.00 -1.84 0.00 0.00 35.03 31.88 3kl9 n LYS 173 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3kl9 s ASN 174 N -5.57 3.23 0.03 4.39 0.01 -1.26 -1.94 114.94 113.83 3kl9 s ASN 174 Ca -0.06 -1.01 0.09 0.00 -0.71 0.00 0.00 52.86 51.17 3kl9 s ASN 174 Cb 0.09 -0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.48 3kl9 s ASN 174 CO 0.83 -0.02 -0.25 -0.63 -1.51 0.00 0.00 177.10 175.52 3kl9 s ILE 175 N -2.57 2.19 -0.20 0.60 1.01 -0.09 -0.60 121.20 121.54 3kl9 s ILE 175 Ca 0.26 -1.30 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 3kl9 s ILE 175 Cb -0.04 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 3kl9 s ILE 175 CO 0.12 0.42 -0.07 -0.63 0.00 0.00 0.00 174.94 174.78 3kl9 s ILE 176 N -0.77 3.25 0.29 2.92 1.01 0.34 -1.66 121.20 126.58 3kl9 s ILE 176 Ca 0.12 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 3kl9 s ILE 176 Cb -0.10 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 39.97 3kl9 s ILE 176 CO 0.02 0.45 0.85 -0.94 0.00 0.00 0.00 174.94 175.32 3kl9 s SER 177 N 1.24 -0.07 0.59 3.58 1.04 -0.40 -0.32 113.70 119.36 3kl9 s SER 177 Ca 0.03 -0.84 -0.05 0.00 0.48 0.00 0.00 55.95 55.56 3kl9 s SER 177 Cb -0.14 0.71 0.02 0.00 0.10 0.00 0.00 66.02 66.70 3kl9 s SER 177 CO -0.02 -1.38 0.89 -1.59 0.98 0.00 0.00 173.24 172.12 3kl9 s LYS 178 N -2.73 2.80 -1.71 4.02 -2.85 -1.19 -0.45 119.74 117.63 3kl9 s LYS 178 Ca 0.15 -0.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 3kl9 s LYS 178 Cb -0.04 -2.30 0.00 0.00 -2.06 0.00 0.00 37.83 33.43 3kl9 s LYS 178 CO 0.08 -0.74 0.00 0.00 0.10 0.00 0.00 175.35 174.79 3kl9 n ALA 179 N -2.57 -0.39 -0.20 0.59 0.00 -1.26 -4.81 120.51 111.86 3kl9 n ALA 179 Ca 0.05 0.23 0.11 0.00 0.00 0.00 0.00 53.44 53.83 3kl9 n ALA 179 Cb 0.58 -1.78 0.41 0.00 0.00 0.00 0.00 19.45 18.66 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 0.00 0.69 -3.33 0.00 -0.00 -1.93 -0.86 115.95 110.53 3kl9 h TRP 180 Ca -0.37 0.02 -0.60 0.00 -0.00 0.00 0.00 58.89 57.94 3kl9 h TRP 180 Cb 1.17 -0.22 -0.11 0.00 -0.00 0.00 0.00 29.16 30.00 3kl9 h TRP 180 CO 0.53 0.30 0.59 0.34 -0.00 0.00 0.00 178.44 180.19 3kl9 s ASP 181 N -5.99 6.39 -0.39 2.65 2.15 -1.26 -1.20 116.67 119.01 3kl9 s ASP 181 Ca -0.09 -0.20 0.11 0.00 0.43 0.00 0.00 52.55 52.79 3kl9 s ASP 181 Cb 0.21 -2.44 0.43 0.00 -0.30 0.00 0.00 42.92 40.81 3kl9 s ASP 181 CO 0.78 -1.19 1.01 -3.20 -0.17 0.00 0.00 175.17 172.40 3kl9 n ASN 182 N 7.42 3.10 0.17 -0.34 4.05 -1.04 -4.72 115.26 123.90 3kl9 n ASN 182 Ca 0.03 -3.25 0.13 0.00 0.45 0.00 0.00 54.58 51.94 3kl9 n ASN 182 Cb 0.48 -0.50 0.32 0.00 1.23 0.00 0.00 39.78 41.30 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 2.81 0.00 -0.28 1.20 2.47 0.06 -2.60 114.38 118.03 3kl9 h ARG 183 Ca 0.11 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.89 3kl9 h ARG 183 Cb 1.01 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.26 3kl9 h ARG 183 CO 0.68 0.00 -0.18 -0.92 0.56 0.00 0.00 179.97 180.11 3kl9 h TYR 184 N 0.00 -0.45 -0.05 3.04 5.03 -1.37 0.12 116.97 123.28 3kl9 h TYR 184 Ca 0.00 0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.24 3kl9 h TYR 184 Cb 0.82 0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.33 3kl9 h TYR 184 CO 0.00 -0.25 -0.45 0.78 -1.32 0.00 0.00 178.16 176.91 3kl9 h GLY 185 N -0.15 0.13 0.76 1.82 0.00 -1.72 0.16 103.07 104.06 3kl9 h GLY 185 Ca 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3kl9 h GLY 185 CO -0.37 0.12 0.01 -2.08 0.00 0.00 0.00 176.54 174.21 3kl9 h VAL 186 N 0.10 1.21 -0.65 4.60 2.07 -1.19 -1.23 116.25 121.17 3kl9 h VAL 186 Ca 0.01 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3kl9 h VAL 186 Cb 0.85 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3kl9 h VAL 186 CO 0.06 0.17 0.24 0.25 0.02 0.00 0.00 177.57 178.32 3kl9 h LEU 187 N -0.19 0.92 -0.98 2.57 6.46 -0.83 -1.67 115.31 121.60 3kl9 h LEU 187 Ca 0.01 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 3kl9 h LEU 187 Cb 0.27 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 39.92 3kl9 h LEU 187 CO 0.00 0.86 0.63 -0.03 -0.62 0.00 0.00 178.44 179.28 3kl9 h MET 188 N 0.93 1.31 -0.29 1.25 4.05 -0.62 0.32 114.93 121.88 3kl9 h MET 188 Ca 0.22 -0.09 -0.09 0.00 -0.28 0.00 0.00 59.70 59.45 3kl9 h MET 188 Cb 0.24 -0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 3kl9 h MET 188 CO -0.01 0.88 -0.18 0.28 0.23 0.00 0.00 176.91 178.11 3kl9 h VAL 189 N 1.34 1.30 0.05 -5.77 2.07 -1.08 -2.07 116.25 112.08 3kl9 h VAL 189 Ca 0.36 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 3kl9 h VAL 189 Cb -0.12 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3kl9 h VAL 189 CO -0.07 0.42 -0.02 -1.28 0.02 0.00 0.00 177.57 176.63 3kl9 h SER 190 N 0.38 -0.06 -0.60 0.57 0.87 -0.54 -2.37 113.55 111.79 3kl9 h SER 190 Ca 0.06 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3kl9 h SER 190 Cb 0.72 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 3kl9 h SER 190 CO 0.05 -0.03 0.32 -0.33 -0.53 0.00 0.00 176.83 176.31 3kl9 h GLU 191 N -0.08 0.88 -0.13 2.24 4.39 -0.44 -2.60 114.58 118.84 3kl9 h GLU 191 Ca -0.01 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3kl9 h GLU 191 Cb 0.06 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3kl9 h GLU 191 CO 0.01 0.66 0.08 1.25 -1.16 0.00 0.00 179.01 179.85 3kl9 h LEU 192 N 0.88 0.16 -0.50 1.33 6.46 -1.15 -0.40 115.31 122.08 3kl9 h LEU 192 Ca 0.22 -0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.96 3kl9 h LEU 192 Cb 0.06 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 3kl9 h LEU 192 CO -0.03 0.18 0.23 0.00 -0.62 0.00 0.00 178.44 178.21 3kl9 h ALA 193 N 0.98 0.63 -0.16 1.25 0.00 -1.12 -0.24 119.26 120.61 3kl9 h ALA 193 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kl9 h ALA 193 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kl9 h ALA 193 CO -0.01 -0.13 0.01 1.49 0.00 0.00 0.00 179.25 180.61 3kl9 h GLU 194 N 0.46 0.06 -0.20 0.00 4.81 -1.31 -2.54 114.58 115.87 3kl9 h GLU 194 Ca 0.23 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 3kl9 h GLU 194 Cb 0.17 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3kl9 h GLU 194 CO -0.18 0.04 -0.25 0.00 -0.73 0.00 0.00 179.01 177.89 3kl9 h ALA 195 N 1.13 1.22 -0.02 2.92 0.00 -0.48 -3.05 119.26 120.98 3kl9 h ALA 195 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kl9 h ALA 195 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kl9 h ALA 195 CO -0.12 0.51 -0.00 1.28 0.00 0.00 0.00 179.25 180.92 3kl9 n LEU 196 N -4.14 2.20 -0.08 0.00 4.32 -0.16 -4.58 117.00 114.56 3kl9 n LEU 196 Ca -0.01 -0.73 -0.09 0.00 -0.02 0.00 0.00 56.01 55.17 3kl9 n LEU 196 Cb 0.38 -0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.16 3kl9 n LEU 196 CO 0.41 0.37 0.64 -1.28 -1.22 0.00 0.00 177.39 176.31 3kl9 h SER 197 N 3.45 -1.04 0.07 -1.43 0.87 -1.33 -0.98 113.55 113.15 3kl9 h SER 197 Ca 0.00 0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 3kl9 h SER 197 Cb 0.73 0.47 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 3kl9 h SER 197 CO 0.00 -0.33 -0.27 1.23 -0.53 0.00 0.00 176.83 176.93 3kl9 h GLY 198 N -0.30 0.34 -1.65 5.77 0.00 -1.82 -3.46 103.07 101.95 3kl9 h GLY 198 Ca 0.14 -0.27 -0.51 0.00 0.00 0.00 0.00 47.33 46.69 3kl9 h GLY 198 CO -0.47 0.25 0.37 1.20 0.00 0.00 0.00 176.54 177.89 3kl9 s GLN 199 N -4.44 2.66 -0.16 4.80 -1.52 -0.37 -5.06 119.66 115.57 3kl9 s GLN 199 Ca -0.06 1.39 0.01 0.00 -1.95 0.00 0.00 55.36 54.76 3kl9 s GLN 199 Cb 0.14 -1.93 0.02 0.00 -0.22 0.00 0.00 33.01 31.02 3kl9 s GLN 199 CO 0.77 -1.36 -0.19 -1.59 -0.25 0.00 0.00 175.29 172.67 3kl9 s LYS 200 N -4.18 2.82 0.26 2.91 -2.85 -1.26 -5.03 119.74 112.41 3kl9 s LYS 200 Ca 0.67 -0.77 0.03 0.00 -1.00 0.00 0.00 55.97 54.90 3kl9 s LYS 200 Cb -0.21 -2.42 -0.03 0.00 -2.06 0.00 0.00 37.83 33.11 3kl9 s LYS 200 CO 0.44 -0.17 0.42 -0.51 0.10 0.00 0.00 175.35 175.62 3kl9 s LEU 201 N 1.23 4.22 -0.01 2.77 1.43 -1.26 -5.00 118.68 122.06 3kl9 s LEU 201 Ca 0.02 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 3kl9 s LEU 201 Cb -0.14 -3.03 0.18 0.00 0.03 0.00 0.00 46.19 43.24 3kl9 s LEU 201 CO -0.10 -0.13 1.11 0.61 0.23 0.00 0.00 176.35 178.07 3kl9 n GLY 202 N -1.40 0.15 3.08 -3.19 0.00 -1.26 -4.46 105.19 98.11 3kl9 n GLY 202 Ca -0.07 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.91 0.96 -0.62 1.61 2.20 -1.24 -4.05 114.94 112.90 3kl9 s ASN 203 Ca 0.13 -0.60 -0.28 0.00 -0.94 0.00 0.00 52.86 51.17 3kl9 s ASN 203 Cb 0.07 0.03 0.02 0.00 -2.00 0.00 0.00 41.25 39.38 3kl9 s ASN 203 CO 0.08 -0.22 1.33 -0.70 -2.94 0.00 0.00 177.10 174.66 3kl9 s GLU 204 N -1.83 3.29 -0.15 3.55 2.56 -0.29 -4.46 118.70 121.37 3kl9 s GLU 204 Ca -0.07 0.19 -0.18 0.00 0.00 0.00 0.00 54.97 54.91 3kl9 s GLU 204 Cb -0.08 -4.12 -0.04 0.00 2.00 0.00 0.00 34.13 31.89 3kl9 s GLU 204 CO 0.00 -1.97 0.50 -1.17 -0.56 0.00 0.00 175.26 172.06 3kl9 s LEU 205 N 5.80 4.22 -0.35 2.70 2.96 -0.82 -1.57 118.68 131.62 3kl9 s LEU 205 Ca 0.45 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 3kl9 s LEU 205 Cb -0.09 -2.70 0.09 0.00 0.50 0.00 0.00 46.19 43.99 3kl9 s LEU 205 CO 0.22 -0.08 0.09 -0.31 -1.32 0.00 0.00 176.35 174.95 3kl9 s TYR 206 N 1.05 3.58 -0.13 5.38 1.51 -0.05 0.56 117.35 129.24 3kl9 s TYR 206 Ca 0.25 -2.54 -0.00 0.00 -1.01 0.00 0.00 57.07 53.77 3kl9 s TYR 206 Cb -0.15 -2.83 -0.02 0.00 -0.11 0.00 0.00 41.96 38.85 3kl9 s TYR 206 CO 0.10 -0.93 -0.12 -1.17 -1.11 0.00 0.00 175.55 172.32 3kl9 s LEU 207 N 1.07 2.75 0.00 -1.29 0.20 0.79 -0.50 118.68 121.70 3kl9 s LEU 207 Ca 0.06 -0.31 0.00 0.00 0.69 0.00 0.00 54.13 54.57 3kl9 s LEU 207 Cb -0.21 -1.62 0.00 0.00 -0.43 0.00 0.00 46.19 43.93 3kl9 s LEU 207 CO -0.05 0.17 0.00 0.61 -0.29 0.00 0.00 176.35 176.79 3kl9 n GLY 208 N 3.49 -0.74 3.20 7.98 0.00 -0.36 0.13 105.19 118.89 3kl9 n GLY 208 Ca -0.18 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.00 -0.36 0.65 1.61 0.15 -0.64 -2.11 113.70 108.99 3kl9 s SER 209 Ca 0.00 0.68 -0.12 0.00 0.70 0.00 0.00 55.95 57.22 3kl9 s SER 209 Cb 0.00 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.94 3kl9 s SER 209 CO 0.00 -0.14 1.04 0.20 1.20 0.00 0.00 173.24 175.55 3kl9 s ASN 210 N 0.58 5.80 0.17 5.45 0.01 0.24 -3.01 114.94 124.18 3kl9 s ASN 210 Ca -0.03 1.57 0.01 0.00 -0.71 0.00 0.00 52.86 53.69 3kl9 s ASN 210 Cb -0.05 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 3kl9 s ASN 210 CO -0.03 -1.16 0.34 0.54 -1.51 0.00 0.00 177.10 175.28 3kl9 s VAL 211 N -3.00 5.27 -1.39 1.60 0.11 -1.26 -0.99 120.40 120.74 3kl9 s VAL 211 Ca 0.58 -0.51 -0.03 0.00 -2.93 0.00 0.00 61.98 59.08 3kl9 s VAL 211 Cb -0.13 -3.73 0.02 0.00 -1.53 0.00 0.00 36.38 31.01 3kl9 s VAL 211 CO 0.51 -0.13 0.67 0.00 -3.33 0.00 0.00 175.10 172.82 3kl9 n GLN 212 N -0.58 -4.49 0.12 1.54 6.02 -1.26 -1.38 117.38 117.34 3kl9 n GLN 212 Ca -0.06 0.55 -0.21 0.00 -0.01 0.00 0.00 57.00 57.27 3kl9 n GLN 212 Cb 0.54 -5.04 -0.14 0.00 1.02 0.00 0.00 30.24 26.61 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 -1.88 0.44 0.00 -1.09 4.22 -1.91 -1.32 114.58 113.04 3kl9 h GLU 213 Ca -0.61 -0.72 0.00 0.00 0.08 0.00 0.00 59.36 58.11 3kl9 h GLU 213 Cb 1.37 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.88 3kl9 h GLU 213 CO 0.61 1.34 0.00 0.93 -2.18 0.00 0.00 179.01 179.70 3kl9 h GLU 214 N 0.14 0.00 -0.15 1.92 4.39 -1.91 -0.51 114.58 118.47 3kl9 h GLU 214 Ca -0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3kl9 h GLU 214 Cb 2.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.69 3kl9 h GLU 214 CO 0.24 0.00 0.00 1.33 -1.16 0.00 0.00 179.01 179.42 3kl9 n VAL 215 N -2.80 0.19 0.00 3.13 0.24 -1.26 -4.01 118.33 113.82 3kl9 n VAL 215 Ca -0.01 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 3kl9 n VAL 215 Cb 0.13 1.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 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 1.24 0.27 3.03 7.63 0.00 -0.98 -4.89 105.19 111.50 3kl9 n GLY 216 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.48 -0.09 0.99 4.77 -0.24 -4.91 117.00 115.05 3kl9 n LEU 217 Ca 0.00 -0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 55.58 3kl9 n LEU 217 Cb 0.00 -2.86 -0.04 0.00 -2.33 0.00 0.00 43.42 38.19 3kl9 n LEU 217 CO 0.00 0.20 0.70 0.03 -1.33 0.00 0.00 177.39 176.99 3kl9 h ARG 218 N -1.26 0.50 -0.07 3.23 3.08 -1.46 -2.92 114.38 115.48 3kl9 h ARG 218 Ca -0.51 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.31 3kl9 h ARG 218 Cb 1.36 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 3kl9 h ARG 218 CO 0.56 0.73 -0.09 0.78 -1.07 0.00 0.00 179.97 180.88 3kl9 h GLY 219 N 0.24 0.11 2.00 0.04 0.00 -1.30 -2.51 103.07 101.65 3kl9 h GLY 219 Ca 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 3kl9 h GLY 219 CO 0.03 0.05 -0.17 0.00 0.00 0.00 0.00 176.54 176.45 3kl9 h ALA 220 N 1.82 1.12 -0.09 3.60 0.00 -1.72 -1.42 119.26 122.56 3kl9 h ALA 220 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kl9 h ALA 220 Cb 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kl9 h ALA 220 CO 0.01 0.21 0.03 0.45 0.00 0.00 0.00 179.25 179.95 3kl9 h HIS 221 N 0.00 0.14 0.14 0.00 -0.00 -1.45 -3.15 115.15 110.83 3kl9 h HIS 221 Ca -0.00 -0.02 -0.30 0.00 -0.00 0.00 0.00 60.37 60.06 3kl9 h HIS 221 Cb 0.56 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 3kl9 h HIS 221 CO 0.00 0.30 -1.39 1.79 -0.00 0.00 0.00 177.93 178.62 3kl9 h THR 222 N -0.05 1.33 -0.05 2.45 1.35 -1.47 -2.77 112.91 113.69 3kl9 h THR 222 Ca 0.03 -2.91 -0.22 0.00 -0.55 0.00 0.00 66.41 62.76 3kl9 h THR 222 Cb 0.22 2.88 0.02 0.00 -1.73 0.00 0.00 68.15 69.54 3kl9 h THR 222 CO -0.00 0.85 -0.84 0.77 -0.25 0.00 0.00 175.52 176.06 3kl9 h SER 223 N 0.08 0.83 -0.53 5.36 4.64 -1.44 -1.63 113.55 120.86 3kl9 h SER 223 Ca -0.19 -0.70 -0.06 0.00 -0.47 0.00 0.00 61.79 60.37 3kl9 h SER 223 Cb 2.02 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.83 3kl9 h SER 223 CO 0.20 1.41 0.13 0.74 -0.87 0.00 0.00 176.83 178.44 3kl9 h THR 224 N 0.32 1.24 -0.07 2.95 2.02 -1.64 -1.91 112.91 115.82 3kl9 h THR 224 Ca -0.09 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 3kl9 h THR 224 Cb 1.49 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3kl9 h THR 224 CO 0.17 0.33 -0.03 0.74 0.37 0.00 0.00 175.52 177.09 3kl9 h THR 225 N 0.87 1.33 -1.00 3.16 2.02 -1.50 -2.78 112.91 115.01 3kl9 h THR 225 Ca 0.19 -1.05 0.04 0.00 0.77 0.00 0.00 66.41 66.36 3kl9 h THR 225 Cb 0.33 1.89 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 3kl9 h THR 225 CO 0.00 0.29 0.65 0.50 0.37 0.00 0.00 175.52 177.33 3kl9 h LYS 226 N -0.24 1.21 -0.02 6.66 3.64 -1.15 -3.23 116.57 123.44 3kl9 h LYS 226 Ca 0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3kl9 h LYS 226 Cb 0.48 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3kl9 h LYS 226 CO 0.01 0.80 -0.11 1.19 -2.27 0.00 0.00 179.45 179.07 3kl9 n PHE 227 N -4.45 0.00 -4.09 1.91 0.99 -0.73 -5.01 117.46 106.09 3kl9 n PHE 227 Ca 0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.31 3kl9 n PHE 227 Cb 0.11 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.54 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 0.78 0.14 -4.79 4.37 4.64 -1.05 -4.92 116.55 115.72 3kl9 n ASP 228 Ca 0.11 -1.11 -0.34 0.00 -1.38 0.00 0.00 54.79 52.07 3kl9 n ASP 228 Cb 0.47 -2.52 -0.03 0.00 -1.04 0.00 0.00 41.12 38.00 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 -6.86 3.71 0.17 -0.67 0.04 -1.26 -4.83 135.00 125.31 3kl9 s PRO 229 Ca 0.01 1.39 0.15 0.00 0.04 0.00 0.00 61.00 62.58 3kl9 s PRO 229 Cb -0.00 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 3kl9 s PRO 229 CO 0.93 -0.51 1.18 0.93 0.04 0.00 0.00 177.00 179.57 3kl9 h GLU 230 N 1.45 0.00 -3.36 4.56 5.08 -1.21 -3.46 114.58 117.65 3kl9 h GLU 230 Ca -0.49 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.71 3kl9 h GLU 230 Cb 1.23 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.25 3kl9 h GLU 230 CO 0.59 0.48 -0.46 0.08 -1.00 0.00 0.00 179.01 178.69 3kl9 s VAL 231 N -2.91 0.05 -0.03 3.13 1.01 -1.22 -3.88 120.40 116.56 3kl9 s VAL 231 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3kl9 s VAL 231 Cb 0.08 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.09 3kl9 s VAL 231 CO 0.78 -0.23 -0.00 0.12 0.00 0.00 0.00 175.10 175.76 3kl9 s PHE 232 N -0.86 0.32 -0.32 5.22 2.19 -0.26 -2.29 117.98 121.98 3kl9 s PHE 232 Ca -0.10 -0.01 -0.01 0.00 0.33 0.00 0.00 56.93 57.15 3kl9 s PHE 232 Cb -0.05 -0.41 0.07 0.00 -1.31 0.00 0.00 43.02 41.31 3kl9 s PHE 232 CO 0.01 -0.13 0.03 -0.51 1.83 0.00 0.00 175.22 176.45 3kl9 s LEU 233 N 1.01 4.16 0.46 6.12 1.02 -0.35 -2.38 118.68 128.72 3kl9 s LEU 233 Ca -0.10 -1.51 -0.22 0.00 0.02 0.00 0.00 54.13 52.32 3kl9 s LEU 233 Cb -0.14 -1.70 -0.08 0.00 0.02 0.00 0.00 46.19 44.29 3kl9 s LEU 233 CO -0.02 -0.31 1.05 0.00 0.02 0.00 0.00 176.35 177.09 3kl9 s ALA 234 N 1.18 2.94 -0.21 4.21 0.00 0.12 -1.83 121.76 128.16 3kl9 s ALA 234 Ca -0.02 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.62 3kl9 s ALA 234 Cb -0.20 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.69 3kl9 s ALA 234 CO -0.03 -0.32 -0.13 0.08 0.00 0.00 0.00 175.76 175.37 3kl9 s VAL 235 N -1.84 1.88 -0.17 0.00 1.01 0.30 0.58 120.40 122.16 3kl9 s VAL 235 Ca 0.64 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 3kl9 s VAL 235 Cb -0.19 -1.90 0.10 0.00 0.00 0.00 0.00 36.38 34.39 3kl9 s VAL 235 CO 0.23 0.20 0.86 -0.62 0.00 0.00 0.00 175.10 175.78 3kl9 s ASP 236 N 1.29 -0.54 0.23 3.32 3.68 -1.14 -4.15 116.67 119.36 3kl9 s ASP 236 Ca -0.02 0.77 0.07 0.00 2.13 0.00 0.00 52.55 55.50 3kl9 s ASP 236 Cb -0.16 0.70 -0.04 0.00 -1.45 0.00 0.00 42.92 41.96 3kl9 s ASP 236 CO -0.08 -0.36 0.17 0.00 0.13 0.00 0.00 175.17 175.02 3kl9 s SER 238 N -3.61 0.89 0.29 0.00 0.01 -0.40 -4.89 113.70 105.99 3kl9 s SER 238 Ca 0.32 -1.36 -0.29 0.00 1.31 0.00 0.00 55.95 55.93 3kl9 s SER 238 Cb -0.08 0.22 -0.10 0.00 0.21 0.00 0.00 66.02 66.26 3kl9 s SER 238 CO 0.24 -0.74 1.36 -2.84 0.41 0.00 0.00 173.24 171.67 3kl9 s PRO 239 N -4.05 4.32 -0.29 12.44 0.02 -1.26 -1.12 135.00 145.05 3kl9 s PRO 239 Ca 0.36 2.24 -0.15 0.00 0.02 0.00 0.00 61.00 63.47 3kl9 s PRO 239 Cb 0.07 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 3kl9 s PRO 239 CO 0.12 -0.28 0.35 0.00 -0.33 0.00 0.00 177.00 176.85 3kl9 s ALA 240 N -0.61 3.54 -2.46 -1.55 0.00 0.23 -4.62 121.76 116.29 3kl9 s ALA 240 Ca 0.53 -0.96 0.23 0.00 0.00 0.00 0.00 51.96 51.76 3kl9 s ALA 240 Cb -0.40 -2.72 0.50 0.00 0.00 0.00 0.00 23.12 20.50 3kl9 s ALA 240 CO 0.48 -0.77 1.43 0.41 0.00 0.00 0.00 175.76 177.32 3kl9 n GLY 241 N 4.81 1.30 0.31 0.00 0.00 -0.87 -4.56 105.19 106.18 3kl9 n GLY 241 Ca -0.09 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.41 3kl9 n GLY 241 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3kl9 h ASP 242 N 3.89 0.21 1.27 1.61 3.04 -1.30 0.34 116.42 125.48 3kl9 h ASP 242 Ca 0.00 0.17 -0.02 0.00 -3.24 0.00 0.00 57.03 53.94 3kl9 h ASP 242 Cb 0.85 0.18 -0.00 0.00 -1.04 0.00 0.00 39.33 39.32 3kl9 h ASP 242 CO 0.00 -0.06 -0.10 1.62 -2.04 0.00 0.00 179.24 178.66 3kl9 h VAL 243 N 0.33 0.22 -0.53 4.15 3.04 -1.86 -2.90 116.25 118.70 3kl9 h VAL 243 Ca 0.55 -0.93 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 3kl9 h VAL 243 Cb 1.08 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.13 3kl9 h VAL 243 CO -0.57 0.10 0.00 -1.22 -1.01 0.00 0.00 177.57 174.87 3kl9 n TYR 244 N -3.19 1.11 -0.90 3.17 0.53 0.69 -4.93 117.16 113.64 3kl9 n TYR 244 Ca 0.01 -0.61 0.00 0.00 -1.02 0.00 0.00 57.90 56.28 3kl9 n TYR 244 Cb 0.43 -0.18 0.00 0.00 -1.03 0.00 0.00 39.34 38.56 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 0.79 0.68 1.36 2.72 0.00 -0.62 -5.01 105.19 105.11 3kl9 n GLY 245 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 3kl9 n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl9 n GLY 246 N -2.00 -0.02 3.97 -0.02 0.00 0.87 -4.94 105.19 103.04 3kl9 n GLY 246 Ca 0.00 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 3kl9 n GLY 246 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kl9 s GLN 247 N -3.60 3.24 0.00 1.61 -2.07 -1.26 -3.04 119.66 114.55 3kl9 s GLN 247 Ca 0.24 -0.91 0.00 0.00 -1.82 0.00 0.00 55.36 52.87 3kl9 s GLN 247 Cb -0.01 -2.83 0.00 0.00 -1.09 0.00 0.00 33.01 29.08 3kl9 s GLN 247 CO 0.17 0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.78 3kl9 n GLY 248 N -1.51 -0.64 3.25 2.60 0.00 -1.26 -2.05 105.19 105.58 3kl9 n GLY 248 Ca -0.04 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.23 3.25 0.14 1.61 2.20 -1.26 -1.94 119.74 123.52 3kl9 s LYS 249 Ca 0.00 -0.69 -0.35 0.00 -0.36 0.00 0.00 55.97 54.57 3kl9 s LYS 249 Cb 0.00 -2.86 -0.15 0.00 -1.51 0.00 0.00 37.83 33.31 3kl9 s LYS 249 CO 0.00 -0.20 1.49 -0.89 -0.36 0.00 0.00 175.35 175.40 3kl9 n ILE 250 N 4.72 0.05 -0.05 5.43 -0.00 -1.26 -1.68 119.36 126.57 3kl9 n ILE 250 Ca -0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 3kl9 n ILE 250 Cb 0.51 -1.31 0.00 0.00 -0.00 0.00 0.00 39.64 38.84 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 3.07 1.33 0.75 7.39 0.00 -1.26 -4.91 105.19 111.56 3kl9 n GLY 251 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 2.14 0.00 1.61 9.92 -0.68 -4.85 116.55 124.69 3kl9 n ASP 252 Ca 0.00 -2.10 0.00 0.00 -0.53 0.00 0.00 54.79 52.16 3kl9 n ASP 252 Cb 0.00 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 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 0.88 -1.83 3.84 0.44 0.00 -1.26 -4.06 105.19 103.20 3kl9 n GLY 253 Ca 0.12 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 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 4.43 -0.14 2.61 -1.32 -0.53 -4.63 115.64 116.06 3kl9 s THR 254 Ca 0.00 0.94 -0.11 0.00 -1.21 0.00 0.00 61.69 61.31 3kl9 s THR 254 Cb 0.00 -3.68 -0.05 0.00 -1.51 0.00 0.00 72.50 67.26 3kl9 s THR 254 CO 0.00 -0.88 0.23 -0.76 -2.21 0.00 0.00 174.62 171.00 3kl9 s LEU 255 N -4.82 4.30 -0.65 9.08 1.43 -0.41 -0.66 118.68 126.96 3kl9 s LEU 255 Ca 0.58 0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 53.99 3kl9 s LEU 255 Cb -0.12 -2.26 0.13 0.00 0.03 0.00 0.00 46.19 43.97 3kl9 s LEU 255 CO 0.45 0.22 0.71 -0.63 0.23 0.00 0.00 176.35 177.34 3kl9 s ILE 256 N -0.12 5.00 -0.85 -0.59 -1.09 0.43 -4.31 121.20 119.67 3kl9 s ILE 256 Ca 0.15 -1.36 -0.22 0.00 -2.23 0.00 0.00 60.65 56.99 3kl9 s ILE 256 Cb -0.13 -4.49 0.08 0.00 -1.58 0.00 0.00 42.46 36.35 3kl9 s ILE 256 CO 0.04 -1.10 1.17 -0.60 -1.23 0.00 0.00 174.94 173.21 3kl9 s ARG 257 N 2.11 3.41 0.22 2.79 3.52 -1.26 -1.33 118.95 128.41 3kl9 s ARG 257 Ca 0.13 -1.18 0.17 0.00 -0.13 0.00 0.00 55.73 54.72 3kl9 s ARG 257 Cb -0.21 -4.73 0.03 0.00 -1.56 0.00 0.00 34.95 28.47 3kl9 s ARG 257 CO 0.02 -1.93 1.22 0.27 -0.81 0.00 0.00 175.30 174.07 3kl9 h PHE 258 N 9.40 0.00 -2.98 5.12 -5.15 -1.94 -3.39 116.94 117.99 3kl9 h PHE 258 Ca -0.01 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.61 3kl9 h PHE 258 Cb 1.04 0.00 -0.25 0.00 0.22 0.00 0.00 35.95 36.96 3kl9 h PHE 258 CO 1.13 0.40 -0.36 -0.47 -2.00 0.00 0.00 178.31 177.01 3kl9 s TYR 259 N -3.03 -0.34 0.21 6.09 6.14 -1.26 -2.04 117.35 123.12 3kl9 s TYR 259 Ca 0.02 0.83 -0.14 0.00 0.64 0.00 0.00 57.07 58.42 3kl9 s TYR 259 Cb 0.08 0.12 0.01 0.00 0.42 0.00 0.00 41.96 42.58 3kl9 s TYR 259 CO 0.76 -0.17 0.47 0.16 0.64 0.00 0.00 175.55 177.41 3kl9 s ASP 260 N 0.20 -0.14 0.63 4.32 1.47 -0.47 -0.12 116.67 122.56 3kl9 s ASP 260 Ca -0.00 -0.71 0.42 0.00 1.18 0.00 0.00 52.55 53.44 3kl9 s ASP 260 Cb -0.02 0.56 2.29 0.00 -0.34 0.00 0.00 42.92 45.40 3kl9 s ASP 260 CO 0.00 -1.06 2.30 -0.65 0.68 0.00 0.00 175.17 176.44 3kl9 h PRO 261 N 2.28 0.00 -0.01 2.11 0.11 -1.78 -2.26 132.00 132.45 3kl9 h PRO 261 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kl9 h PRO 261 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kl9 h PRO 261 CO 0.38 0.00 -0.52 0.41 -0.21 0.00 0.00 178.00 178.07 3kl9 n GLY 262 N -1.04 -0.23 3.41 -0.55 0.00 -1.26 -5.02 105.19 100.51 3kl9 n GLY 262 Ca -0.03 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.15 -0.63 -0.16 1.61 5.65 -0.85 -4.56 115.29 114.19 3kl9 s HIS 263 Ca 0.10 1.46 -0.02 0.00 0.25 0.00 0.00 55.06 56.85 3kl9 s HIS 263 Cb 0.12 0.26 -0.01 0.00 -1.18 0.00 0.00 32.58 31.77 3kl9 s HIS 263 CO 0.51 -0.32 -0.10 -0.51 -0.65 0.00 0.00 174.74 173.67 3kl9 s LEU 264 N 0.67 2.78 -0.05 8.88 1.43 -1.26 -1.37 118.68 129.76 3kl9 s LEU 264 Ca -0.03 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 3kl9 s LEU 264 Cb -0.05 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.45 3kl9 s LEU 264 CO -0.04 0.10 1.78 -0.22 0.23 0.00 0.00 176.35 178.20 3kl9 s LEU 265 N 0.75 4.28 0.49 1.79 2.96 -0.86 -4.95 118.68 123.14 3kl9 s LEU 265 Ca -0.04 2.31 -0.20 0.00 -0.22 0.00 0.00 54.13 55.98 3kl9 s LEU 265 Cb -0.15 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 3kl9 s LEU 265 CO 0.02 -1.05 1.05 -0.76 -1.32 0.00 0.00 176.35 174.29 3kl9 s LEU 266 N 4.48 3.84 0.21 -0.68 1.43 -1.26 -4.85 118.68 121.85 3kl9 s LEU 266 Ca 0.80 1.95 -0.09 0.00 -1.03 0.00 0.00 54.13 55.76 3kl9 s LEU 266 Cb -0.36 -4.56 0.26 0.00 0.03 0.00 0.00 46.19 41.56 3kl9 s LEU 266 CO 0.34 -0.83 1.80 -0.65 0.23 0.00 0.00 176.35 177.25 3kl9 h PRO 267 N 1.52 0.66 -0.77 1.29 0.11 -1.93 0.74 132.00 133.62 3kl9 h PRO 267 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3kl9 h PRO 267 Cb 1.22 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3kl9 h PRO 267 CO 0.59 0.44 0.50 0.78 -0.21 0.00 0.00 178.00 180.09 3kl9 h GLY 268 N 0.68 1.10 1.05 -0.55 0.00 -1.90 -0.31 103.07 103.15 3kl9 h GLY 268 Ca 0.31 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 3kl9 h GLY 268 CO -0.20 0.42 -0.20 1.98 0.00 0.00 0.00 176.54 178.54 3kl9 h MET 269 N 1.05 0.87 -0.59 4.80 -1.53 -1.61 -3.06 114.93 114.87 3kl9 h MET 269 Ca 0.28 -0.38 0.07 0.00 -3.44 0.00 0.00 59.70 56.23 3kl9 h MET 269 Cb -0.09 -0.02 -0.06 0.00 -0.55 0.00 0.00 31.60 30.88 3kl9 h MET 269 CO -0.06 1.03 0.27 -0.22 0.14 0.00 0.00 176.91 178.07 3kl9 h LYS 270 N 0.70 0.47 -0.35 0.39 3.64 -0.05 0.12 116.57 121.49 3kl9 h LYS 270 Ca 0.09 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3kl9 h LYS 270 Cb 0.77 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 3kl9 h LYS 270 CO 0.06 0.31 0.07 -0.44 -2.27 0.00 0.00 179.45 177.19 3kl9 h ASP 271 N 0.49 0.02 -0.55 4.20 3.32 -1.09 -1.71 116.42 121.10 3kl9 h ASP 271 Ca 0.28 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.27 3kl9 h ASP 271 Cb 0.27 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3kl9 h ASP 271 CO -0.24 0.05 -0.11 0.15 -1.72 0.00 0.00 179.24 177.37 3kl9 h PHE 272 N 0.20 1.17 -0.09 4.55 3.57 -1.30 0.25 116.94 125.28 3kl9 h PHE 272 Ca 0.17 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 3kl9 h PHE 272 Cb 0.19 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 3kl9 h PHE 272 CO -0.18 1.08 0.05 -0.07 -2.23 0.00 0.00 178.31 176.95 3kl9 h LEU 273 N 0.93 0.12 -0.66 0.59 3.38 -0.77 -1.23 115.31 117.66 3kl9 h LEU 273 Ca 0.14 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3kl9 h LEU 273 Cb 0.68 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3kl9 h LEU 273 CO 0.05 0.19 -0.47 -0.07 0.09 0.00 0.00 178.44 178.23 3kl9 h LEU 274 N 0.03 0.52 0.10 1.67 3.38 -1.24 -1.40 115.31 118.37 3kl9 h LEU 274 Ca 0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kl9 h LEU 274 Cb 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kl9 h LEU 274 CO -0.00 0.91 -0.05 0.74 0.09 0.00 0.00 178.44 180.13 3kl9 h THR 275 N 0.38 0.97 -0.63 0.22 2.02 -0.89 -2.25 112.91 112.73 3kl9 h THR 275 Ca 0.02 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 3kl9 h THR 275 Cb 0.97 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 3kl9 h THR 275 CO 0.09 0.06 0.16 0.74 0.37 0.00 0.00 175.52 176.94 3kl9 h THR 276 N -0.26 1.25 -0.49 3.16 2.02 -1.15 -1.89 112.91 115.55 3kl9 h THR 276 Ca -0.01 -0.89 -0.10 0.00 0.77 0.00 0.00 66.41 66.18 3kl9 h THR 276 Cb 0.21 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3kl9 h THR 276 CO 0.02 0.34 -0.08 0.00 0.37 0.00 0.00 175.52 176.17 3kl9 h ALA 277 N 1.23 0.94 -0.34 6.16 0.00 -1.21 -1.80 119.26 124.23 3kl9 h ALA 277 Ca 0.20 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 3kl9 h ALA 277 Cb 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kl9 h ALA 277 CO -0.00 0.63 -0.44 1.49 0.00 0.00 0.00 179.25 180.92 3kl9 h GLU 278 N 0.80 0.89 -0.08 0.00 4.57 -1.08 0.38 114.58 120.06 3kl9 h GLU 278 Ca 0.14 -0.50 -0.22 0.00 -1.18 0.00 0.00 59.36 57.60 3kl9 h GLU 278 Cb 0.58 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.21 3kl9 h GLU 278 CO 0.04 1.15 -0.83 0.93 -1.18 0.00 0.00 179.01 179.11 3kl9 h GLU 279 N 0.71 0.58 -0.29 1.92 5.08 -1.24 -3.20 114.58 118.13 3kl9 h GLU 279 Ca 0.04 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3kl9 h GLU 279 Cb 1.03 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3kl9 h GLU 279 CO 0.10 1.14 0.00 0.00 -1.00 0.00 0.00 179.01 179.25 3kl9 n ALA 280 N -2.57 2.47 -3.48 3.43 0.00 -0.69 -4.95 120.51 114.73 3kl9 n ALA 280 Ca -0.07 -0.63 -0.20 0.00 0.00 0.00 0.00 53.44 52.54 3kl9 n ALA 280 Cb 0.77 -1.02 0.08 0.00 0.00 0.00 0.00 19.45 19.29 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 1.15 -0.42 3.79 0.00 0.00 -1.00 -4.98 105.19 103.73 3kl9 n GLY 281 Ca 0.15 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.33 4.96 -0.24 -0.61 -1.09 0.09 -5.05 121.20 115.93 3kl9 s ILE 282 Ca 0.30 1.03 -0.25 0.00 -2.23 0.00 0.00 60.65 59.51 3kl9 s ILE 282 Cb -0.13 -3.82 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 3kl9 s ILE 282 CO 0.71 0.50 0.83 -0.75 -1.23 0.00 0.00 174.94 174.99 3kl9 s LYS 283 N -0.60 4.19 0.19 2.79 2.20 -1.26 -4.79 119.74 122.47 3kl9 s LYS 283 Ca 0.27 0.95 0.01 0.00 -0.36 0.00 0.00 55.97 56.84 3kl9 s LYS 283 Cb -0.17 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.46 3kl9 s LYS 283 CO 0.15 -0.52 0.04 1.52 -0.36 0.00 0.00 175.35 176.18 3kl9 s TYR 284 N 2.83 1.28 -0.02 4.03 -0.85 -1.26 -1.45 117.35 121.91 3kl9 s TYR 284 Ca 0.35 -1.09 -0.03 0.00 -0.52 0.00 0.00 57.07 55.78 3kl9 s TYR 284 Cb -0.15 -0.73 0.00 0.00 0.38 0.00 0.00 41.96 41.46 3kl9 s TYR 284 CO 0.07 -0.28 0.08 1.14 -1.52 0.00 0.00 175.55 175.04 3kl9 s GLN 285 N -3.97 0.17 0.38 -3.49 -2.07 0.17 -4.85 119.66 106.01 3kl9 s GLN 285 Ca 0.28 -0.03 -0.26 0.00 -1.82 0.00 0.00 55.36 53.53 3kl9 s GLN 285 Cb 0.07 0.07 -0.09 0.00 -1.09 0.00 0.00 33.01 31.97 3kl9 s GLN 285 CO 0.07 -0.03 1.19 0.71 -1.32 0.00 0.00 175.29 175.91 3kl9 s TYR 286 N -0.31 3.09 -0.07 9.60 1.51 -1.26 -0.43 117.35 129.48 3kl9 s TYR 286 Ca -0.04 1.54 -0.03 0.00 -1.01 0.00 0.00 57.07 57.54 3kl9 s TYR 286 Cb -0.03 -3.43 0.04 0.00 -0.11 0.00 0.00 41.96 38.43 3kl9 s TYR 286 CO 0.00 -1.36 0.15 -0.47 -1.11 0.00 0.00 175.55 172.76 3kl9 s TYR 287 N -1.35 -0.16 -0.52 2.71 5.04 -0.44 -4.80 117.35 117.83 3kl9 s TYR 287 Ca 0.55 0.53 -0.17 0.00 -2.44 0.00 0.00 57.07 55.54 3kl9 s TYR 287 Cb -0.32 -0.19 0.09 0.00 0.35 0.00 0.00 41.96 41.89 3kl9 s TYR 287 CO 0.41 -0.22 0.51 0.00 -1.34 0.00 0.00 175.55 174.91 3kl9 s GLY 289 N 3.07 2.73 -0.02 0.00 0.00 0.82 -4.96 107.32 108.96 3kl9 s GLY 289 Ca 0.07 0.76 0.13 0.00 0.00 0.00 0.00 44.72 45.68 3kl9 s GLY 289 CO 0.06 1.19 0.27 0.28 0.00 0.00 0.00 173.10 174.90 3kl9 n LYS 290 N -0.26 0.51 -3.66 2.90 5.02 -1.26 -4.22 118.16 117.18 3kl9 n LYS 290 Ca 0.06 -0.11 -0.23 0.00 -2.02 0.00 0.00 58.31 56.01 3kl9 n LYS 290 Cb 0.49 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.18 3kl9 n LYS 290 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kl9 s GLY 291 N -3.58 2.20 0.11 0.72 0.00 -1.26 -4.54 107.32 100.96 3kl9 s GLY 291 Ca -0.05 -1.70 0.02 0.00 0.00 0.00 0.00 44.72 42.99 3kl9 s GLY 291 CO 0.54 -1.80 0.18 -0.32 0.00 0.00 0.00 173.10 171.71 3kl9 s GLY 292 N -4.22 1.94 0.42 0.20 0.00 -1.26 -4.48 107.32 99.92 3kl9 s GLY 292 Ca 0.44 -1.00 0.05 0.00 0.00 0.00 0.00 44.72 44.21 3kl9 s GLY 292 CO 0.26 -0.99 0.02 -0.51 0.00 0.00 0.00 173.10 171.88 3kl9 s THR 293 N -1.58 1.66 0.50 0.90 -4.23 -1.26 -5.03 115.64 106.61 3kl9 s THR 293 Ca 0.33 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.17 3kl9 s THR 293 Cb -0.12 -2.78 0.52 0.00 1.34 0.00 0.00 72.50 71.47 3kl9 s THR 293 CO 0.26 0.00 1.76 0.44 -0.54 0.00 0.00 174.62 176.54 3kl9 h ASP 294 N 1.73 0.13 -0.75 3.99 3.32 -1.95 0.95 116.42 123.84 3kl9 h ASP 294 Ca -0.43 0.03 0.14 0.00 0.02 0.00 0.00 57.03 56.79 3kl9 h ASP 294 Cb 1.26 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.77 3kl9 h ASP 294 CO 0.77 0.00 0.50 0.00 -1.72 0.00 0.00 179.24 178.79 3kl9 h ALA 295 N 1.44 2.08 -0.82 3.45 0.00 -1.96 -1.09 119.26 122.36 3kl9 h ALA 295 Ca 0.62 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.65 3kl9 h ALA 295 Cb 2.24 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.87 3kl9 h ALA 295 CO -0.11 -0.27 0.44 0.78 0.00 0.00 0.00 179.25 180.08 3kl9 h GLY 296 N 0.44 1.30 0.58 0.00 0.00 -1.04 -1.81 103.07 102.54 3kl9 h GLY 296 Ca 0.36 -0.27 -0.32 0.00 0.00 0.00 0.00 47.33 47.10 3kl9 h GLY 296 CO -0.12 0.03 -1.71 0.00 0.00 0.00 0.00 176.54 174.75 3kl9 h ALA 297 N 1.51 0.29 -0.48 3.60 0.00 -1.58 -3.41 119.26 119.20 3kl9 h ALA 297 Ca 0.43 -1.24 0.02 0.00 0.00 0.00 0.00 54.91 54.12 3kl9 h ALA 297 Cb 0.51 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3kl9 h ALA 297 CO -0.31 1.05 0.28 0.00 0.00 0.00 0.00 179.25 180.27 3kl9 h ALA 298 N -0.02 0.61 0.00 0.00 0.00 -1.07 -2.72 119.26 116.06 3kl9 h ALA 298 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kl9 h ALA 298 Cb 1.89 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3kl9 h ALA 298 CO 0.06 -0.04 0.00 1.12 0.00 0.00 0.00 179.25 180.40 3kl9 h HIS 299 N 0.55 0.00 -0.02 0.00 2.07 -1.49 -1.23 115.15 115.03 3kl9 h HIS 299 Ca 0.19 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.71 3kl9 h HIS 299 Cb 0.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.01 3kl9 h HIS 299 CO -0.07 0.00 -0.10 1.28 -3.07 0.00 0.00 177.93 175.97 3kl9 n LEU 300 N -2.39 1.99 -4.90 6.12 4.77 -1.03 -1.73 117.00 119.83 3kl9 n LEU 300 Ca -0.00 -0.66 -0.28 0.00 -0.03 0.00 0.00 56.01 55.04 3kl9 n LEU 300 Cb 0.13 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3kl9 n LEU 300 CO 0.15 0.34 0.50 -0.54 -1.33 0.00 0.00 177.39 176.52 3kl9 s LYS 301 N -2.14 3.43 0.92 3.23 -0.14 -0.47 -4.72 119.74 119.85 3kl9 s LYS 301 Ca 0.30 0.25 0.00 0.00 -1.36 0.00 0.00 55.97 55.16 3kl9 s LYS 301 Cb 0.20 -2.31 0.00 0.00 -1.68 0.00 0.00 37.83 34.04 3kl9 s LYS 301 CO 0.38 -0.36 0.00 0.09 -0.76 0.00 0.00 175.35 174.70 3kl9 n ASN 302 N -2.40 0.00 0.00 2.83 4.13 -1.26 -0.88 115.26 117.68 3kl9 n ASN 302 Ca 0.02 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.41 3kl9 n ASN 302 Cb 0.55 0.00 0.76 0.00 -1.54 0.00 0.00 39.78 39.56 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 -0.94 0.00 7.41 0.00 -1.26 -4.95 105.19 105.45 3kl9 n GLY 303 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.82 2.13 2.73 -0.02 0.00 -0.06 -5.09 105.19 105.71 3kl9 n GLY 304 Ca 0.19 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.23 0.69 0.24 1.61 1.01 -0.70 -4.96 120.40 118.05 3kl9 s VAL 305 Ca 0.00 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.68 3kl9 s VAL 305 Cb 0.00 -1.36 -0.14 0.00 0.00 0.00 0.00 36.38 34.89 3kl9 s VAL 305 CO 0.00 -0.46 1.36 -2.65 0.00 0.00 0.00 175.10 173.36 3kl9 n PRO 306 N 4.96 1.92 -4.09 2.72 -0.02 -1.25 -4.17 135.00 135.07 3kl9 n PRO 306 Ca -0.06 0.68 -0.08 0.00 -2.02 0.00 0.00 63.50 62.03 3kl9 n PRO 306 Cb 0.44 -2.31 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 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 0.21 0.41 0.13 2.55 0.01 -1.26 -1.11 113.70 114.64 3kl9 s SER 307 Ca 0.68 -1.03 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 3kl9 s SER 307 Cb -0.67 0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.80 3kl9 s SER 307 CO 0.51 -0.65 0.20 0.35 0.41 0.00 0.00 173.24 174.06 3kl9 n THR 308 N 0.04 0.00 -3.91 1.44 -2.24 -1.00 -4.65 114.28 103.96 3kl9 n THR 308 Ca -0.12 -0.57 -0.28 0.00 -2.27 0.00 0.00 64.05 60.81 3kl9 n THR 308 Cb 0.62 0.38 -0.17 0.00 -2.10 0.00 0.00 70.33 69.06 3kl9 n THR 308 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kl9 s THR 309 N -2.59 1.16 -0.47 4.28 2.01 -1.26 0.11 115.64 118.89 3kl9 s THR 309 Ca 0.09 -0.56 -0.26 0.00 0.31 0.00 0.00 61.69 61.27 3kl9 s THR 309 Cb -0.01 -1.26 0.03 0.00 0.01 0.00 0.00 72.50 71.27 3kl9 s THR 309 CO 0.07 0.23 0.98 -0.63 -0.69 0.00 0.00 174.62 174.58 3kl9 s ILE 310 N 1.63 4.41 0.13 1.82 -1.09 0.20 -4.63 121.20 123.66 3kl9 s ILE 310 Ca 0.02 0.86 0.04 0.00 -2.23 0.00 0.00 60.65 59.34 3kl9 s ILE 310 Cb -0.14 -4.48 -0.04 0.00 -1.58 0.00 0.00 42.46 36.22 3kl9 s ILE 310 CO -0.08 -0.88 -0.09 -0.83 -1.23 0.00 0.00 174.94 171.83 3kl9 s GLY 311 N 2.31 0.99 0.08 6.18 0.00 -1.26 -2.90 107.32 112.72 3kl9 s GLY 311 Ca 0.40 -1.45 0.08 0.00 0.00 0.00 0.00 44.72 43.74 3kl9 s GLY 311 CO 0.28 -1.55 -0.21 0.14 0.00 0.00 0.00 173.10 171.75 3kl9 s VAL 312 N -3.42 1.71 0.26 1.40 1.01 -1.24 -1.29 120.40 118.83 3kl9 s VAL 312 Ca 0.15 -1.40 0.06 0.00 0.00 0.00 0.00 61.98 60.79 3kl9 s VAL 312 Cb 0.03 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3kl9 s VAL 312 CO -0.01 0.06 0.34 0.00 0.00 0.00 0.00 175.10 175.49 3kl9 s ALA 314 N -2.05 -1.20 -0.01 0.00 0.00 -0.28 -4.71 121.76 113.52 3kl9 s ALA 314 Ca 0.36 0.64 -0.19 0.00 0.00 0.00 0.00 51.96 52.76 3kl9 s ALA 314 Cb -0.09 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 3kl9 s ALA 314 CO 0.28 -0.38 0.55 1.03 0.00 0.00 0.00 175.76 177.24 3kl9 s ARG 315 N -1.77 4.26 -0.97 0.00 0.52 0.07 0.75 118.95 121.81 3kl9 s ARG 315 Ca -0.09 0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 55.75 3kl9 s ARG 315 Cb -0.02 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.12 3kl9 s ARG 315 CO 0.03 0.40 0.82 0.66 0.02 0.00 0.00 175.30 177.23 3kl9 n TYR 316 N 2.66 -1.86 -1.38 -0.53 4.01 -1.26 -1.46 117.16 117.33 3kl9 n TYR 316 Ca -0.08 0.75 -0.36 0.00 -0.16 0.00 0.00 57.90 58.04 3kl9 n TYR 316 Cb 0.51 -4.31 0.07 0.00 -0.31 0.00 0.00 39.34 35.30 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 -3.73 2.62 -3.36 -0.72 -0.00 -1.26 -3.64 119.36 109.27 3kl9 n ILE 317 Ca -0.15 -0.41 -0.18 0.00 -0.00 0.00 0.00 62.75 62.01 3kl9 n ILE 317 Cb 0.61 -0.97 0.08 0.00 -0.00 0.00 0.00 39.64 39.35 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 -2.30 -2.21 -3.91 1.39 8.25 -1.26 -5.01 115.22 110.16 3kl9 n HIS 318 Ca 0.12 0.86 -0.12 0.00 -0.26 0.00 0.00 57.72 58.33 3kl9 n HIS 318 Cb 0.49 -4.67 -0.01 0.00 1.12 0.00 0.00 29.99 26.92 3kl9 n HIS 318 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3kl9 n SER 319 N -2.72 -1.47 0.21 0.41 3.41 -1.24 -4.71 113.62 107.51 3kl9 n SER 319 Ca -0.14 -2.62 0.12 0.00 -0.26 0.00 0.00 58.87 55.97 3kl9 n SER 319 Cb 0.61 2.62 0.15 0.00 -0.26 0.00 0.00 64.21 67.33 3kl9 n SER 319 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3kl9 h HIS 320 N 1.90 0.00 -2.15 7.33 3.86 -1.89 -3.38 115.15 120.83 3kl9 h HIS 320 Ca -0.26 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.36 3kl9 h HIS 320 Cb 1.08 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 29.13 3kl9 h HIS 320 CO 0.00 0.01 -0.72 1.04 0.86 0.00 0.00 177.93 179.12 3kl9 n GLN 321 N -3.06 2.06 -2.96 2.45 1.13 -1.26 -3.16 117.38 112.58 3kl9 n GLN 321 Ca 0.04 -4.30 -0.40 0.00 -1.94 0.00 0.00 57.00 50.39 3kl9 n GLN 321 Cb 0.54 -1.99 -0.05 0.00 0.11 0.00 0.00 30.24 28.85 3kl9 n GLN 321 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3kl9 s THR 322 N -2.15 4.76 -0.11 5.09 2.01 0.40 -4.73 115.64 120.91 3kl9 s THR 322 Ca 0.39 1.65 0.03 0.00 0.31 0.00 0.00 61.69 64.07 3kl9 s THR 322 Cb 0.15 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.54 3kl9 s THR 322 CO -0.04 0.34 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.79 3kl9 s LEU 323 N 0.08 2.19 0.13 4.42 0.20 -0.54 -1.28 118.68 123.88 3kl9 s LEU 323 Ca 0.39 -0.53 -0.16 0.00 0.69 0.00 0.00 54.13 54.53 3kl9 s LEU 323 Cb -0.20 -1.45 0.03 0.00 -0.43 0.00 0.00 46.19 44.14 3kl9 s LEU 323 CO 0.23 0.15 0.40 -0.72 -0.29 0.00 0.00 176.35 176.12 3kl9 s TYR 324 N 0.40 -0.16 -0.02 5.38 -0.85 -0.67 -0.75 117.35 120.68 3kl9 s TYR 324 Ca -0.16 -0.17 -0.11 0.00 -0.52 0.00 0.00 57.07 56.11 3kl9 s TYR 324 Cb -0.17 0.25 -0.05 0.00 0.38 0.00 0.00 41.96 42.37 3kl9 s TYR 324 CO 0.07 -0.72 0.32 0.00 -1.52 0.00 0.00 175.55 173.70 3kl9 s ALA 325 N -3.82 3.77 0.11 9.51 0.00 -1.26 -0.91 121.76 129.17 3kl9 s ALA 325 Ca 0.04 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 3kl9 s ALA 325 Cb 0.02 -2.21 -0.13 0.00 0.00 0.00 0.00 23.12 20.79 3kl9 s ALA 325 CO -0.11 0.55 1.27 0.52 0.00 0.00 0.00 175.76 178.00 3kl9 h MET 326 N 4.54 0.49 -1.00 0.00 2.86 -1.76 -3.25 114.93 116.81 3kl9 h MET 326 Ca -0.52 -0.53 0.10 0.00 -2.06 0.00 0.00 59.70 56.68 3kl9 h MET 326 Cb 1.22 0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.95 3kl9 h MET 326 CO 0.62 1.17 0.64 0.22 1.06 0.00 0.00 176.91 180.62 3kl9 h ASP 327 N 0.28 0.98 -0.79 1.22 3.58 -1.95 -2.08 116.42 117.67 3kl9 h ASP 327 Ca -0.09 0.03 0.10 0.00 0.42 0.00 0.00 57.03 57.49 3kl9 h ASP 327 Cb 1.61 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 42.41 3kl9 h ASP 327 CO 0.17 0.57 0.42 0.44 -2.88 0.00 0.00 179.24 177.97 3kl9 h ASP 328 N 1.08 0.58 -0.20 2.28 3.32 -1.88 -1.44 116.42 120.16 3kl9 h ASP 328 Ca 0.47 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.57 3kl9 h ASP 328 Cb 0.34 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3kl9 h ASP 328 CO -0.22 0.32 0.11 0.15 -1.72 0.00 0.00 179.24 177.88 3kl9 h PHE 329 N 0.70 0.26 -0.27 4.55 3.57 -1.48 -0.56 116.94 123.71 3kl9 h PHE 329 Ca 0.39 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.92 3kl9 h PHE 329 Cb 0.40 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3kl9 h PHE 329 CO -0.08 0.22 0.08 -0.07 -2.23 0.00 0.00 178.31 176.23 3kl9 h LEU 330 N 0.22 0.07 -0.46 0.59 3.38 -1.14 0.37 115.31 118.34 3kl9 h LEU 330 Ca 0.07 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3kl9 h LEU 330 Cb 0.04 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3kl9 h LEU 330 CO -0.01 0.07 0.24 -0.33 0.09 0.00 0.00 178.44 178.50 3kl9 h GLU 331 N 0.19 0.47 -0.54 1.13 4.39 -1.21 -0.96 114.58 118.05 3kl9 h GLU 331 Ca 0.12 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 3kl9 h GLU 331 Cb 0.10 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3kl9 h GLU 331 CO -0.14 0.31 0.07 0.00 -1.16 0.00 0.00 179.01 178.10 3kl9 h ALA 332 N 1.23 0.72 0.24 3.43 0.00 -0.52 -1.51 119.26 122.86 3kl9 h ALA 332 Ca 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kl9 h ALA 332 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kl9 h ALA 332 CO -0.12 0.47 -0.12 0.37 0.00 0.00 0.00 179.25 179.85 3kl9 h GLN 333 N 0.78 -0.31 -1.00 0.00 5.75 -0.06 0.52 115.11 120.79 3kl9 h GLN 333 Ca 0.16 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.75 3kl9 h GLN 333 Cb 0.43 0.07 -0.07 0.00 1.07 0.00 0.00 27.48 28.98 3kl9 h GLN 333 CO 0.01 -0.20 0.65 0.00 -2.65 0.00 0.00 178.83 176.64 3kl9 h ALA 334 N 0.42 1.42 -0.45 3.38 0.00 -1.14 0.60 119.26 123.49 3kl9 h ALA 334 Ca -0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3kl9 h ALA 334 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kl9 h ALA 334 CO 0.05 0.43 -0.07 0.35 0.00 0.00 0.00 179.25 180.01 3kl9 h PHE 335 N 1.16 0.93 -0.60 0.00 -0.00 -0.96 -0.18 116.94 117.29 3kl9 h PHE 335 Ca 0.44 -0.19 -0.05 0.00 -0.00 0.00 0.00 57.97 58.16 3kl9 h PHE 335 Cb 0.19 -0.23 -0.03 0.00 -0.00 0.00 0.00 35.95 35.88 3kl9 h PHE 335 CO -0.00 0.92 0.16 1.25 -0.00 0.00 0.00 178.31 180.64 3kl9 h LEU 336 N 0.67 0.86 0.49 0.59 6.46 -0.38 -0.39 115.31 123.62 3kl9 h LEU 336 Ca 0.12 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 3kl9 h LEU 336 Cb 0.60 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 3kl9 h LEU 336 CO 0.04 0.83 -0.24 1.56 -0.62 0.00 0.00 178.44 180.01 3kl9 h GLN 337 N 0.89 -0.64 -0.65 1.25 4.20 -0.52 -2.20 115.11 117.44 3kl9 h GLN 337 Ca 0.19 0.04 0.05 0.00 0.06 0.00 0.00 58.65 59.00 3kl9 h GLN 337 Cb 0.30 0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 3kl9 h GLN 337 CO -0.00 -0.37 0.37 0.00 -0.67 0.00 0.00 178.83 178.16 3kl9 h ALA 338 N -0.34 0.86 0.09 3.87 0.00 -1.01 -2.05 119.26 120.68 3kl9 h ALA 338 Ca -0.07 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kl9 h ALA 338 Cb 0.56 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3kl9 h ALA 338 CO 0.11 0.07 -0.27 -0.07 0.00 0.00 0.00 179.25 179.10 3kl9 h LEU 339 N 0.71 -0.76 -1.13 0.00 3.38 -0.99 -2.06 115.31 114.45 3kl9 h LEU 339 Ca 0.28 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.26 3kl9 h LEU 339 Cb 0.13 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kl9 h LEU 339 CO -0.16 -0.35 -0.42 -0.37 0.09 0.00 0.00 178.44 177.24 3kl9 h VAL 340 N -0.46 1.20 -0.05 1.22 -1.51 -1.26 -2.29 116.25 113.10 3kl9 h VAL 340 Ca 0.04 -1.48 -0.08 0.00 -1.23 0.00 0.00 66.70 63.95 3kl9 h VAL 340 Cb 0.50 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 3kl9 h VAL 340 CO -0.17 0.41 -0.36 0.11 -1.23 0.00 0.00 177.57 176.33 3kl9 h LYS 341 N 0.00 0.10 0.00 5.19 1.57 -1.12 -3.17 116.57 119.14 3kl9 h LYS 341 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kl9 h LYS 341 Cb 0.78 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3kl9 h LYS 341 CO 0.05 0.44 -1.13 1.17 -0.57 0.00 0.00 179.45 179.41 3kl9 n LYS 342 N -4.10 0.31 -2.43 3.15 4.81 -0.80 -4.65 118.16 114.45 3kl9 n LYS 342 Ca -0.02 -0.02 -0.43 0.00 -0.87 0.00 0.00 58.31 56.97 3kl9 n LYS 342 Cb 0.41 -1.58 -0.02 0.00 0.02 0.00 0.00 35.03 33.86 3kl9 n LYS 342 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3kl9 s LEU 343 N -3.93 4.04 0.00 3.14 1.43 -0.90 -4.74 118.68 117.72 3kl9 s LEU 343 Ca 0.03 1.45 -0.00 0.00 -1.03 0.00 0.00 54.13 54.58 3kl9 s LEU 343 Cb 0.14 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.83 3kl9 s LEU 343 CO 0.82 -0.90 0.03 -0.90 0.23 0.00 0.00 176.35 175.63 3kl9 n ASP 344 N 7.06 -0.08 -0.10 2.29 3.85 -1.26 -3.62 116.55 124.69 3kl9 n ASP 344 Ca 0.14 -1.10 -0.06 0.00 -0.71 0.00 0.00 54.79 53.06 3kl9 n ASP 344 Cb 0.46 0.15 0.00 0.00 -1.35 0.00 0.00 41.12 40.38 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 -0.08 -0.31 0.11 9.65 -1.84 -1.82 114.38 120.09 3kl9 h ARG 345 Ca -0.02 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.89 3kl9 h ARG 345 Cb 0.06 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 3kl9 h ARG 345 CO 0.02 -0.05 0.18 0.77 2.80 0.00 0.00 179.97 183.68 3kl9 h SER 346 N -0.08 0.28 0.25 -3.80 0.02 -1.95 -2.09 113.55 106.18 3kl9 h SER 346 Ca 0.17 0.01 -0.29 0.00 -0.84 0.00 0.00 61.79 60.84 3kl9 h SER 346 Cb 0.35 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 62.86 3kl9 h SER 346 CO -0.40 0.20 -1.23 0.71 -1.14 0.00 0.00 176.83 174.97 3kl9 h THR 347 N 0.36 1.33 -0.47 -2.27 1.35 -1.79 -1.96 112.91 109.47 3kl9 h THR 347 Ca 0.13 -2.58 -0.14 0.00 -0.55 0.00 0.00 66.41 63.26 3kl9 h THR 347 Cb 0.01 2.74 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 3kl9 h THR 347 CO -0.07 0.78 -0.25 -0.37 -0.25 0.00 0.00 175.52 175.36 3kl9 h VAL 348 N 0.22 1.27 -0.97 6.82 -1.51 -1.38 0.96 116.25 121.66 3kl9 h VAL 348 Ca -0.17 -1.42 0.12 0.00 -1.23 0.00 0.00 66.70 64.00 3kl9 h VAL 348 Cb 1.91 1.17 -0.08 0.00 -2.13 0.00 0.00 31.29 32.16 3kl9 h VAL 348 CO 0.23 0.49 0.62 0.44 -1.23 0.00 0.00 177.57 178.11 3kl9 h ASP 349 N 0.84 0.88 -0.27 4.19 5.19 -1.35 0.21 116.42 126.11 3kl9 h ASP 349 Ca 0.10 0.04 -0.16 0.00 -0.62 0.00 0.00 57.03 56.39 3kl9 h ASP 349 Cb 0.83 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.21 3kl9 h ASP 349 CO 0.07 0.48 -0.46 0.25 -3.12 0.00 0.00 179.24 176.46 3kl9 h LEU 350 N 0.95 0.87 -1.11 1.55 6.46 -1.03 -1.40 115.31 121.60 3kl9 h LEU 350 Ca 0.48 -0.53 0.07 0.00 -0.12 0.00 0.00 57.88 57.78 3kl9 h LEU 350 Cb 0.49 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.11 3kl9 h LEU 350 CO -0.24 1.23 0.60 0.40 -0.62 0.00 0.00 178.44 179.82 3kl9 h ILE 351 N 0.54 1.06 -0.91 4.05 2.04 0.02 -2.50 117.51 121.82 3kl9 h ILE 351 Ca 0.02 -0.36 -0.44 0.00 1.00 0.00 0.00 64.86 65.08 3kl9 h ILE 351 Cb 1.07 -0.09 -0.26 0.00 -0.74 0.00 0.00 36.82 36.80 3kl9 h ILE 351 CO 0.11 0.19 0.54 0.29 0.00 0.00 0.00 178.15 179.27 3kl9 n LYS 352 N -4.50 2.54 -2.28 2.37 5.02 0.66 -4.28 118.16 117.69 3kl9 n LYS 352 Ca 0.14 -3.04 -0.41 0.00 -2.02 0.00 0.00 58.31 52.98 3kl9 n LYS 352 Cb 0.20 -2.17 -0.03 0.00 -0.02 0.00 0.00 35.03 33.02 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 -3.23 2.09 -1.12 2.13 2.46 -0.55 -4.96 115.29 112.11 3kl9 s HIS 353 Ca 0.56 0.53 0.09 0.00 0.47 0.00 0.00 55.06 56.71 3kl9 s HIS 353 Cb 0.47 -4.31 0.07 0.00 -0.13 0.00 0.00 32.58 28.68 3kl9 s HIS 353 CO 0.11 -2.17 0.78 0.66 -2.47 0.00 0.00 174.74 171.66