#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 0.43 -1.25 -4.42 6.46 -2.04 -1.37 115.31 113.12 3kl9 h LEU 4 Ca 0.00 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.59 3kl9 h LEU 4 Cb 0.00 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 3kl9 h LEU 4 CO 0.00 0.45 0.19 0.15 -0.62 0.00 0.00 178.44 178.60 3kl9 h PHE 5 N 0.39 0.70 -0.28 1.25 3.04 -2.00 -1.66 116.94 118.38 3kl9 h PHE 5 Ca 0.11 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.03 3kl9 h PHE 5 Cb 0.14 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 3kl9 h PHE 5 CO -0.01 0.56 0.18 0.77 -2.02 0.00 0.00 178.31 177.78 3kl9 h SER 6 N 0.70 0.30 -0.52 0.41 0.02 -1.87 0.29 113.55 112.88 3kl9 h SER 6 Ca 0.17 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 3kl9 h SER 6 Cb 0.15 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3kl9 h SER 6 CO -0.01 0.22 0.17 0.11 -1.14 0.00 0.00 176.83 176.17 3kl9 h LYS 7 N 0.36 0.80 -0.11 3.45 1.57 -1.07 -2.23 116.57 119.34 3kl9 h LYS 7 Ca 0.11 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3kl9 h LYS 7 Cb -0.03 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3kl9 h LYS 7 CO -0.03 0.73 -0.00 0.82 -0.57 0.00 0.00 179.45 180.40 3kl9 h ILE 8 N 0.70 1.26 -0.73 1.86 2.04 -1.10 -2.18 117.51 119.37 3kl9 h ILE 8 Ca 0.17 -0.83 0.11 0.00 1.00 0.00 0.00 64.86 65.30 3kl9 h ILE 8 Cb 0.27 1.59 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 3kl9 h ILE 8 CO -0.01 0.24 0.35 0.50 0.00 0.00 0.00 178.15 179.23 3kl9 h LYS 9 N -0.07 0.55 0.21 2.37 3.64 -0.38 -1.36 116.57 121.53 3kl9 h LYS 9 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3kl9 h LYS 9 Cb 0.37 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3kl9 h LYS 9 CO 0.01 0.36 -0.10 1.49 -2.27 0.00 0.00 179.45 178.94 3kl9 h GLU 10 N 0.57 -0.27 -0.39 1.90 4.81 -1.25 -2.26 114.58 117.69 3kl9 h GLU 10 Ca 0.37 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.53 3kl9 h GLU 10 Cb 0.44 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3kl9 h GLU 10 CO -0.30 -0.12 -0.15 -0.39 -0.73 0.00 0.00 179.01 177.32 3kl9 h VAL 11 N -0.37 1.26 0.00 0.32 -1.51 -1.09 -2.99 116.25 111.87 3kl9 h VAL 11 Ca -0.03 -1.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.25 3kl9 h VAL 11 Cb 0.28 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3kl9 h VAL 11 CO 0.05 0.40 0.00 0.71 -1.23 0.00 0.00 177.57 177.50 3kl9 h THR 12 N 0.64 0.00 -0.01 7.19 1.35 -1.19 -3.07 112.91 117.82 3kl9 h THR 12 Ca 0.10 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3kl9 h THR 12 Cb 0.61 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3kl9 h THR 12 CO 0.04 0.00 -0.29 -0.62 -0.25 0.00 0.00 175.52 174.40 3kl9 n GLU 13 N -2.82 0.91 -2.29 4.72 1.02 -0.86 -4.71 120.64 116.62 3kl9 n GLU 13 Ca 0.02 -0.58 -0.41 0.00 -0.02 0.00 0.00 57.16 56.18 3kl9 n GLU 13 Cb 0.37 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.49 4.48 -0.42 -4.62 1.43 -1.16 -5.00 118.68 110.90 3kl9 s LEU 14 Ca 0.24 2.46 -0.10 0.00 -1.03 0.00 0.00 54.13 55.70 3kl9 s LEU 14 Cb 0.19 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.85 3kl9 s LEU 14 CO 0.53 -0.36 0.27 0.00 0.23 0.00 0.00 176.35 177.01 3kl9 s ALA 15 N -0.98 3.32 -0.28 4.21 0.00 -1.26 -5.01 121.76 121.75 3kl9 s ALA 15 Ca 0.48 -2.08 0.02 0.00 0.00 0.00 0.00 51.96 50.38 3kl9 s ALA 15 Cb -0.36 -2.69 0.16 0.00 0.00 0.00 0.00 23.12 20.23 3kl9 s ALA 15 CO 0.46 -1.62 0.43 0.00 0.00 0.00 0.00 175.76 175.03 3kl9 s ALA 16 N 1.47 -1.38 0.59 0.00 0.00 -1.26 -4.78 121.76 116.40 3kl9 s ALA 16 Ca 0.03 0.48 -0.07 0.00 0.00 0.00 0.00 51.96 52.40 3kl9 s ALA 16 Cb -0.23 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.81 3kl9 s ALA 16 CO 0.03 -1.68 0.92 0.54 0.00 0.00 0.00 175.76 175.57 3kl9 s VAL 17 N 2.59 3.82 0.17 0.00 0.11 -1.26 -1.41 120.40 124.42 3kl9 s VAL 17 Ca 0.11 0.12 -0.32 0.00 -2.93 0.00 0.00 61.98 58.95 3kl9 s VAL 17 Cb -0.13 -3.52 -0.16 0.00 -1.53 0.00 0.00 36.38 31.04 3kl9 s VAL 17 CO -0.27 -0.56 1.01 -1.20 -3.33 0.00 0.00 175.10 170.75 3kl9 n SER 18 N -2.61 0.70 0.00 3.54 7.64 -1.24 -1.41 113.62 120.25 3kl9 n SER 18 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3kl9 n SER 18 Cb 0.57 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 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 1.83 2.89 2.53 0.23 0.00 -1.26 -4.86 105.19 106.55 3kl9 n GLY 19 Ca 0.15 0.00 -0.13 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 1.17 -0.31 1.61 8.25 -0.50 -4.91 115.22 118.52 3kl9 n HIS 20 Ca 0.00 -3.12 0.07 0.00 -0.26 0.00 0.00 57.72 54.41 3kl9 n HIS 20 Cb 0.00 -0.37 0.31 0.00 1.12 0.00 0.00 29.99 31.05 3kl9 n HIS 20 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3kl9 n GLU 21 N -0.01 3.54 -0.26 -0.41 0.00 -1.24 -4.05 120.64 118.20 3kl9 n GLU 21 Ca 0.16 -2.42 0.03 0.00 0.00 0.00 0.00 57.16 54.93 3kl9 n GLU 21 Cb 0.75 -1.89 0.11 0.00 0.00 0.00 0.00 31.44 30.41 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 3.80 0.57 -0.57 -1.84 0.00 -1.93 0.39 119.26 119.68 3kl9 h ALA 22 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3kl9 h ALA 22 Cb 1.39 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 3kl9 h ALA 22 CO 0.26 -0.42 0.38 -1.35 0.00 0.00 0.00 179.25 178.12 3kl9 h PRO 23 N 0.02 0.64 0.06 0.00 0.11 -1.86 0.13 132.00 131.10 3kl9 h PRO 23 Ca 0.38 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 66.19 3kl9 h PRO 23 Cb 0.60 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.58 3kl9 h PRO 23 CO -0.75 0.42 -1.09 0.28 -0.21 0.00 0.00 178.00 176.65 3kl9 h VAL 24 N 0.66 1.42 -0.37 3.15 2.07 -1.46 -3.01 116.25 118.70 3kl9 h VAL 24 Ca 0.23 -2.65 0.02 0.00 0.82 0.00 0.00 66.70 65.11 3kl9 h VAL 24 Cb 0.10 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 3kl9 h VAL 24 CO -0.06 0.79 0.21 -0.09 0.02 0.00 0.00 177.57 178.44 3kl9 h ARG 25 N 0.18 0.42 -0.39 1.57 2.43 -0.25 -1.42 114.38 116.92 3kl9 h ARG 25 Ca -0.12 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3kl9 h ARG 25 Cb 1.76 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 31.15 3kl9 h ARG 25 CO 0.19 0.28 -0.01 0.00 -1.51 0.00 0.00 179.97 178.92 3kl9 h ALA 26 N 1.17 0.35 -0.36 2.80 0.00 -0.80 0.11 119.26 122.52 3kl9 h ALA 26 Ca 0.15 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3kl9 h ALA 26 Cb 0.01 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3kl9 h ALA 26 CO -0.07 -0.40 0.01 -0.92 0.00 0.00 0.00 179.25 177.87 3kl9 h TYR 27 N 0.10 0.00 -0.17 0.00 5.03 -1.37 -2.18 116.97 118.37 3kl9 h TYR 27 Ca 0.19 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.37 3kl9 h TYR 27 Cb 0.27 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 3kl9 h TYR 27 CO -0.27 -0.05 -0.54 -0.07 -1.32 0.00 0.00 178.16 175.91 3kl9 h LEU 28 N 0.11 0.56 -0.20 2.82 3.38 -0.37 -2.56 115.31 119.05 3kl9 h LEU 28 Ca 0.17 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3kl9 h LEU 28 Cb 0.24 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3kl9 h LEU 28 CO -0.28 0.99 -0.05 -0.09 0.09 0.00 0.00 178.44 179.09 3kl9 h ARG 29 N 0.39 -0.00 -0.85 1.13 2.43 -0.73 0.24 114.38 116.98 3kl9 h ARG 29 Ca 0.01 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3kl9 h ARG 29 Cb 1.07 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.56 3kl9 h ARG 29 CO 0.10 -0.00 0.56 1.49 -1.51 0.00 0.00 179.97 180.60 3kl9 h GLU 30 N -0.01 0.90 0.00 0.20 4.81 -1.18 -1.32 114.58 117.98 3kl9 h GLU 30 Ca 0.10 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 3kl9 h GLU 30 Cb 0.15 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3kl9 h GLU 30 CO -0.21 0.59 -1.48 1.63 -0.73 0.00 0.00 179.01 178.81 3kl9 n LYS 31 N -4.49 0.63 -0.07 1.92 5.02 -0.98 -4.32 118.16 115.86 3kl9 n LYS 31 Ca 0.13 0.12 -0.14 0.00 -2.02 0.00 0.00 58.31 56.40 3kl9 n LYS 31 Cb 0.23 -1.75 -0.12 0.00 -0.02 0.00 0.00 35.03 33.38 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 -0.89 -0.35 4.07 -0.43 -3.41 115.31 114.30 3kl9 h LEU 32 Ca -0.13 -0.85 0.20 0.00 0.08 0.00 0.00 57.88 57.18 3kl9 h LEU 32 Cb 1.41 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.99 3kl9 h LEU 32 CO 0.03 1.03 -0.11 0.74 -1.08 0.00 0.00 178.44 179.05 3kl9 h THR 33 N -1.00 0.14 0.00 0.22 2.02 -1.43 -1.28 112.91 111.57 3kl9 h THR 33 Ca -0.05 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3kl9 h THR 33 Cb 0.97 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3kl9 h THR 33 CO -0.03 0.00 -0.05 -0.65 0.37 0.00 0.00 175.52 175.17 3kl9 h PRO 34 N 0.02 0.00 -0.29 6.66 0.11 -1.80 -3.15 132.00 133.56 3kl9 h PRO 34 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3kl9 h PRO 34 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3kl9 h PRO 34 CO -0.87 0.05 0.00 0.72 -0.21 0.00 0.00 178.00 177.69 3kl9 n HIS 35 N -3.23 0.80 -3.82 0.65 8.25 -0.49 -4.99 115.22 112.40 3kl9 n HIS 35 Ca -0.01 -0.76 -0.12 0.00 -0.26 0.00 0.00 57.72 56.57 3kl9 n HIS 35 Cb 0.25 -0.23 -0.11 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.25 0.03 0.28 1.59 1.01 -1.19 -4.69 120.40 115.18 3kl9 s VAL 36 Ca 0.36 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3kl9 s VAL 36 Cb 0.27 -0.35 0.05 0.00 0.00 0.00 0.00 36.38 36.36 3kl9 s VAL 36 CO 0.11 -0.13 1.71 0.44 0.00 0.00 0.00 175.10 177.23 3kl9 h ASP 37 N 5.25 0.42 -4.41 3.32 3.32 -1.28 -3.47 116.42 119.57 3kl9 h ASP 37 Ca -0.27 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 3kl9 h ASP 37 Cb 1.19 -0.12 -0.21 0.00 0.22 0.00 0.00 39.33 40.41 3kl9 h ASP 37 CO 0.39 0.72 -0.09 -0.70 -1.72 0.00 0.00 179.24 177.83 3kl9 s GLU 38 N -4.38 0.71 -0.24 3.56 2.12 -1.03 -4.98 118.70 114.46 3kl9 s GLU 38 Ca -0.06 0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.66 3kl9 s GLU 38 Cb 0.14 0.33 0.04 0.00 0.26 0.00 0.00 34.13 34.90 3kl9 s GLU 38 CO 0.79 -0.15 -0.10 0.08 -0.54 0.00 0.00 175.26 175.34 3kl9 s VAL 39 N -0.43 2.51 0.23 3.70 1.01 -1.26 0.50 120.40 126.66 3kl9 s VAL 39 Ca -0.06 -1.21 0.09 0.00 0.00 0.00 0.00 61.98 60.80 3kl9 s VAL 39 Cb -0.03 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3kl9 s VAL 39 CO 0.03 0.18 -0.15 0.68 0.00 0.00 0.00 175.10 175.85 3kl9 s VAL 40 N 1.25 1.89 0.00 2.92 -7.23 0.13 -4.97 120.40 114.39 3kl9 s VAL 40 Ca -0.02 -2.24 0.03 0.00 -1.81 0.00 0.00 61.98 57.93 3kl9 s VAL 40 Cb -0.17 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 3kl9 s VAL 40 CO -0.06 -0.52 -0.09 0.28 -0.31 0.00 0.00 175.10 174.40 3kl9 s THR 41 N -2.88 0.68 0.74 5.32 -1.32 -1.26 -0.12 115.64 116.80 3kl9 s THR 41 Ca 0.25 -0.49 -0.05 0.00 -1.21 0.00 0.00 61.69 60.19 3kl9 s THR 41 Cb -0.01 -0.59 0.16 0.00 -1.51 0.00 0.00 72.50 70.54 3kl9 s THR 41 CO 0.09 0.11 1.01 -0.90 -2.21 0.00 0.00 174.62 172.72 3kl9 n ASP 42 N 2.63 0.90 0.27 8.08 5.68 -0.76 -4.98 116.55 128.37 3kl9 n ASP 42 Ca -0.15 -1.87 0.14 0.00 -0.50 0.00 0.00 54.79 52.42 3kl9 n ASP 42 Cb 0.57 -0.70 0.72 0.00 -1.14 0.00 0.00 41.12 40.57 3kl9 n ASP 42 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3kl9 h GLY 43 N -0.87 0.00 -0.14 6.12 0.00 -1.90 -3.20 103.07 103.08 3kl9 h GLY 43 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3kl9 h GLY 43 CO 0.31 0.00 -0.62 1.04 0.00 0.00 0.00 176.54 177.28 3kl9 n LEU 44 N -3.39 0.86 0.00 3.11 4.32 -1.26 -4.99 117.00 115.66 3kl9 n LEU 44 Ca -0.01 -0.55 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 3kl9 n LEU 44 Cb 0.27 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 3kl9 n LEU 44 CO 0.29 0.20 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 3kl9 n GLY 45 N 1.30 1.25 3.71 -0.72 0.00 -1.21 -4.94 105.19 104.58 3kl9 n GLY 45 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3kl9 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl9 n GLY 46 N 0.00 0.82 3.49 -0.02 0.00 -1.26 -4.80 105.19 103.41 3kl9 n GLY 46 Ca 0.00 0.36 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 3kl9 n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kl9 s ILE 47 N -0.82 3.14 -0.05 -0.61 -5.25 -1.11 -1.84 121.20 114.66 3kl9 s ILE 47 Ca 0.58 -0.75 -0.04 0.00 -0.99 0.00 0.00 60.65 59.45 3kl9 s ILE 47 Cb -0.56 -2.25 0.02 0.00 2.95 0.00 0.00 42.46 42.62 3kl9 s ILE 47 CO 0.59 0.56 0.14 -0.36 -1.79 0.00 0.00 174.94 174.07 3kl9 s PHE 48 N -0.78 -0.15 -0.06 1.37 0.40 0.83 -1.81 117.98 117.78 3kl9 s PHE 48 Ca 0.12 0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 56.73 3kl9 s PHE 48 Cb -0.11 0.00 -0.05 0.00 0.51 0.00 0.00 43.02 43.38 3kl9 s PHE 48 CO 0.01 -0.10 0.29 0.20 0.70 0.00 0.00 175.22 176.32 3kl9 s GLY 49 N 0.45 2.33 -0.14 4.36 0.00 0.14 0.19 107.32 114.64 3kl9 s GLY 49 Ca -0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 44.72 44.23 3kl9 s GLY 49 CO -0.02 -0.07 0.02 -0.42 0.00 0.00 0.00 173.10 172.62 3kl9 s ILE 50 N -0.98 4.48 -0.46 0.90 1.01 0.18 -0.20 121.20 126.13 3kl9 s ILE 50 Ca 0.20 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.72 3kl9 s ILE 50 Cb -0.14 -2.96 0.12 0.00 0.01 0.00 0.00 42.46 39.49 3kl9 s ILE 50 CO 0.09 0.53 0.20 -0.75 0.00 0.00 0.00 174.94 175.00 3kl9 s LYS 51 N -0.16 1.73 0.30 2.79 2.20 0.80 -0.83 119.74 126.57 3kl9 s LYS 51 Ca 0.06 -2.31 -0.30 0.00 -0.36 0.00 0.00 55.97 53.06 3kl9 s LYS 51 Cb -0.12 -3.14 -0.12 0.00 -1.51 0.00 0.00 37.83 32.94 3kl9 s LYS 51 CO 0.02 -1.07 1.50 0.72 -0.36 0.00 0.00 175.35 176.16 3kl9 n HIS 52 N 3.51 2.65 -3.34 4.03 8.25 -1.26 -2.57 115.22 126.50 3kl9 n HIS 52 Ca 0.05 0.36 -0.23 0.00 -0.26 0.00 0.00 57.72 57.64 3kl9 n HIS 52 Cb 0.35 -2.54 -0.00 0.00 1.12 0.00 0.00 29.99 28.92 3kl9 n HIS 52 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3kl9 s SER 53 N 0.26 6.12 -0.16 0.41 0.15 -1.26 -4.84 113.70 114.38 3kl9 s SER 53 Ca 0.62 0.28 0.17 0.00 0.70 0.00 0.00 55.95 57.72 3kl9 s SER 53 Cb -0.54 -1.77 -0.25 0.00 -1.71 0.00 0.00 66.02 61.76 3kl9 s SER 53 CO 0.53 -0.41 0.22 -0.62 1.20 0.00 0.00 173.24 174.16 3kl9 n GLU 54 N -1.81 0.68 -1.58 5.44 1.02 -1.26 -4.99 120.64 118.13 3kl9 n GLU 54 Ca -0.03 0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 3kl9 n GLU 54 Cb 0.57 -1.59 -0.00 0.00 -0.02 0.00 0.00 31.44 30.40 3kl9 n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kl9 n ALA 55 N -2.69 -0.18 0.16 0.62 0.00 -1.26 -4.92 120.51 112.23 3kl9 n ALA 55 Ca -0.29 0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3kl9 n ALA 55 Cb 1.12 -2.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 3kl9 n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kl9 h VAL 56 N 1.66 0.69 -0.80 0.00 2.07 -1.95 -3.05 116.25 114.88 3kl9 h VAL 56 Ca -0.42 -0.55 -0.49 0.00 0.82 0.00 0.00 66.70 66.06 3kl9 h VAL 56 Cb 1.35 0.97 -0.24 0.00 -1.52 0.00 0.00 31.29 31.85 3kl9 h VAL 56 CO 0.58 0.11 0.63 -0.67 0.02 0.00 0.00 177.57 178.23 3kl9 n ASP 57 N -5.14 5.62 -4.44 0.57 2.03 -1.26 -4.99 116.55 108.93 3kl9 n ASP 57 Ca -0.10 -3.41 -0.55 0.00 0.52 0.00 0.00 54.79 51.25 3kl9 n ASP 57 Cb 0.26 -0.90 -0.08 0.00 -0.72 0.00 0.00 41.12 39.67 3kl9 n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kl9 n ALA 58 N -0.61 0.60 -1.85 -1.67 0.00 -1.16 -4.74 120.51 111.09 3kl9 n ALA 58 Ca 0.49 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.62 3kl9 n ALA 58 Cb 0.99 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.05 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 5.65 4.54 0.14 0.00 0.04 -1.26 -4.53 135.00 139.58 3kl9 s PRO 59 Ca 1.10 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 63.74 3kl9 s PRO 59 Cb -1.07 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 30.21 3kl9 s PRO 59 CO 0.57 0.05 1.13 1.03 0.04 0.00 0.00 177.00 179.82 3kl9 s ARG 60 N -1.13 4.53 -0.11 4.56 0.52 -1.26 -0.83 118.95 125.23 3kl9 s ARG 60 Ca 0.48 1.74 0.02 0.00 -0.52 0.00 0.00 55.73 57.45 3kl9 s ARG 60 Cb -0.34 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 31.85 3kl9 s ARG 60 CO 0.42 -0.05 -0.16 0.08 0.02 0.00 0.00 175.30 175.61 3kl9 s VAL 61 N 0.20 1.59 -0.17 3.52 1.01 -0.21 -1.20 120.40 125.15 3kl9 s VAL 61 Ca 0.53 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 3kl9 s VAL 61 Cb -0.29 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3kl9 s VAL 61 CO 0.33 0.46 0.09 -0.22 0.00 0.00 0.00 175.10 175.76 3kl9 s LEU 62 N 0.90 4.02 -0.16 3.92 2.96 -0.82 -0.44 118.68 129.06 3kl9 s LEU 62 Ca -0.08 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 3kl9 s LEU 62 Cb -0.15 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.57 3kl9 s LEU 62 CO -0.01 0.24 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.48 3kl9 s VAL 63 N -0.04 1.37 -0.03 1.68 1.01 0.58 -0.91 120.40 124.07 3kl9 s VAL 63 Ca 0.08 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 3kl9 s VAL 63 Cb -0.12 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.87 3kl9 s VAL 63 CO 0.00 0.27 0.02 0.00 0.00 0.00 0.00 175.10 175.39 3kl9 s ALA 64 N 1.54 0.28 0.43 5.51 0.00 -0.85 -0.41 121.76 128.26 3kl9 s ALA 64 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3kl9 s ALA 64 Cb -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.58 3kl9 s ALA 64 CO -0.09 -0.19 0.00 -1.13 0.00 0.00 0.00 175.76 174.35 3kl9 n SER 65 N 4.45 0.00 -3.94 0.00 3.41 -0.85 -1.09 113.62 115.61 3kl9 n SER 65 Ca -0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.30 3kl9 n SER 65 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 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 1.32 0.17 -0.02 7.33 -3.43 -1.26 0.15 115.29 119.54 3kl9 s HIS 66 Ca 0.00 -0.36 0.11 0.00 -0.80 0.00 0.00 55.06 54.01 3kl9 s HIS 66 Cb 0.00 -0.13 -0.23 0.00 -1.43 0.00 0.00 32.58 30.79 3kl9 s HIS 66 CO 0.00 -0.21 0.73 0.52 -2.00 0.00 0.00 174.74 173.78 3kl9 h MET 67 N 4.63 0.02 -7.04 -0.38 2.86 -1.03 -3.42 114.93 110.57 3kl9 h MET 67 Ca -0.31 -0.03 -0.48 0.00 -2.06 0.00 0.00 59.70 56.82 3kl9 h MET 67 Cb 1.20 0.01 0.03 0.00 0.06 0.00 0.00 31.60 32.90 3kl9 h MET 67 CO 0.41 0.60 0.40 0.16 1.06 0.00 0.00 176.91 179.54 3kl9 s ASP 68 N -6.23 6.45 0.37 1.22 -4.77 -1.26 -4.87 116.67 107.57 3kl9 s ASP 68 Ca -0.05 1.98 0.08 0.00 -3.30 0.00 0.00 52.55 51.26 3kl9 s ASP 68 Cb 0.08 -2.57 -0.06 0.00 -1.09 0.00 0.00 42.92 39.28 3kl9 s ASP 68 CO 0.82 -0.71 0.04 -1.83 0.70 0.00 0.00 175.17 174.19 3kl9 s GLU 69 N -2.99 2.06 0.50 2.11 -1.05 -0.50 -4.26 118.70 114.56 3kl9 s GLU 69 Ca 0.64 -1.86 -0.19 0.00 -0.15 0.00 0.00 54.97 53.40 3kl9 s GLU 69 Cb -0.19 -1.86 -0.08 0.00 -0.44 0.00 0.00 34.13 31.57 3kl9 s GLU 69 CO 0.23 0.04 1.03 0.14 0.95 0.00 0.00 175.26 177.65 3kl9 s VAL 70 N -2.59 3.90 0.00 1.83 -7.23 -1.26 -3.60 120.40 111.45 3kl9 s VAL 70 Ca 0.36 1.13 0.00 0.00 -1.81 0.00 0.00 61.98 61.66 3kl9 s VAL 70 Cb 0.03 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.50 3kl9 s VAL 70 CO 0.19 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 3kl9 n GLY 71 N -0.47 2.02 3.27 2.32 0.00 -0.61 -4.56 105.19 107.16 3kl9 n GLY 71 Ca 0.09 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.89 1.33 -0.02 1.61 0.40 -0.29 -0.07 117.98 120.06 3kl9 s PHE 72 Ca 0.00 -1.07 0.03 0.00 -0.60 0.00 0.00 56.93 55.29 3kl9 s PHE 72 Cb 0.00 -0.77 -0.00 0.00 0.51 0.00 0.00 43.02 42.76 3kl9 s PHE 72 CO 0.00 -0.24 -0.09 1.41 0.70 0.00 0.00 175.22 177.00 3kl9 s MET 73 N -3.95 0.82 -0.09 0.44 1.75 0.14 0.11 119.30 118.52 3kl9 s MET 73 Ca 0.29 -0.30 -0.29 0.00 -1.25 0.00 0.00 55.69 54.13 3kl9 s MET 73 Cb 0.07 -0.78 -0.06 0.00 2.84 0.00 0.00 34.83 36.89 3kl9 s MET 73 CO 0.07 0.15 1.83 0.08 -0.65 0.00 0.00 175.02 176.50 3kl9 s VAL 74 N -0.00 3.35 -0.12 10.11 1.01 -0.52 -0.33 120.40 133.90 3kl9 s VAL 74 Ca 0.00 0.41 0.17 0.00 0.00 0.00 0.00 61.98 62.56 3kl9 s VAL 74 Cb -0.06 -3.32 -0.20 0.00 0.00 0.00 0.00 36.38 32.81 3kl9 s VAL 74 CO -0.00 -0.09 0.60 -1.54 0.00 0.00 0.00 175.10 174.07 3kl9 n SER 75 N 8.27 0.60 -3.57 3.32 3.41 -0.47 -0.10 113.62 125.08 3kl9 n SER 75 Ca 0.20 0.27 -0.11 0.00 -0.26 0.00 0.00 58.87 58.97 3kl9 n SER 75 Cb 0.43 0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 64.80 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 -2.83 0.65 -0.33 4.33 -1.05 -1.20 -4.86 118.70 113.41 3kl9 s GLU 76 Ca -0.05 0.15 -0.11 0.00 -0.15 0.00 0.00 54.97 54.80 3kl9 s GLU 76 Cb 0.08 0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 34.07 3kl9 s GLU 76 CO 0.83 -0.21 0.20 0.42 0.95 0.00 0.00 175.26 177.45 3kl9 s ILE 77 N -1.17 4.98 0.76 1.83 1.01 -1.26 -1.95 121.20 125.39 3kl9 s ILE 77 Ca -0.03 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 3kl9 s ILE 77 Cb -0.00 -3.55 0.05 0.00 0.01 0.00 0.00 42.46 38.97 3kl9 s ILE 77 CO 0.02 0.03 1.11 -0.54 0.00 0.00 0.00 174.94 175.56 3kl9 s LYS 78 N 1.67 2.24 0.53 2.79 -0.14 -0.32 -4.91 119.74 121.60 3kl9 s LYS 78 Ca 0.05 1.28 0.20 0.00 -1.36 0.00 0.00 55.97 56.15 3kl9 s LYS 78 Cb -0.17 -1.89 1.34 0.00 -1.68 0.00 0.00 37.83 35.43 3kl9 s LYS 78 CO 0.09 -1.67 2.08 -1.35 -0.76 0.00 0.00 175.35 173.74 3kl9 h PRO 79 N -0.91 0.00 0.00 -1.68 0.11 -1.97 -0.55 132.00 127.00 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kl9 h PRO 79 CO 0.51 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.90 3kl9 n ASP 80 N -4.44 0.00 0.00 -2.05 5.68 -1.26 -0.55 116.55 113.93 3kl9 n ASP 80 Ca 0.03 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 3kl9 n ASP 80 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3kl9 n ASP 80 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kl9 n GLY 81 N 0.75 1.40 3.91 6.12 0.00 -0.21 -4.06 105.19 113.09 3kl9 n GLY 81 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.08 2.09 0.14 2.61 -4.23 -1.26 -4.60 115.64 107.32 3kl9 s THR 82 Ca 0.00 -0.05 0.10 0.00 -1.18 0.00 0.00 61.69 60.56 3kl9 s THR 82 Cb 0.00 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 3kl9 s THR 82 CO 0.00 -0.01 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.48 3kl9 s PHE 83 N -3.50 2.40 0.14 3.99 0.08 0.19 -1.18 117.98 120.10 3kl9 s PHE 83 Ca 0.61 -0.33 0.08 0.00 0.12 0.00 0.00 56.93 57.41 3kl9 s PHE 83 Cb -0.11 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 3kl9 s PHE 83 CO 0.48 0.40 -0.08 1.03 -0.10 0.00 0.00 175.22 176.95 3kl9 s ARG 84 N -2.26 2.16 0.24 0.44 1.81 -0.82 -1.40 118.95 119.12 3kl9 s ARG 84 Ca 0.17 -1.10 0.04 0.00 -1.72 0.00 0.00 55.73 53.12 3kl9 s ARG 84 Cb -0.10 -2.28 -0.05 0.00 -0.45 0.00 0.00 34.95 32.07 3kl9 s ARG 84 CO 0.09 0.48 -0.01 0.14 -0.68 0.00 0.00 175.30 175.31 3kl9 s VAL 85 N -1.44 1.15 0.08 3.52 -7.23 -1.26 -1.37 120.40 113.85 3kl9 s VAL 85 Ca 0.23 -2.05 0.09 0.00 -1.81 0.00 0.00 61.98 58.45 3kl9 s VAL 85 Cb -0.10 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 3kl9 s VAL 85 CO 0.15 -0.31 -0.24 0.54 -0.31 0.00 0.00 175.10 174.93 3kl9 s VAL 86 N -3.34 2.42 0.43 1.32 0.11 0.56 -4.36 120.40 117.53 3kl9 s VAL 86 Ca 0.29 -1.49 -0.21 0.00 -2.93 0.00 0.00 61.98 57.64 3kl9 s VAL 86 Cb 0.05 -2.03 -0.11 0.00 -1.53 0.00 0.00 36.38 32.77 3kl9 s VAL 86 CO 0.09 0.23 0.96 -1.83 -3.33 0.00 0.00 175.10 171.23 3kl9 s GLU 87 N -1.68 4.22 -0.39 1.54 -1.05 -1.26 -0.68 118.70 119.39 3kl9 s GLU 87 Ca 0.14 1.17 0.03 0.00 -0.15 0.00 0.00 54.97 56.16 3kl9 s GLU 87 Cb -0.10 -2.24 0.11 0.00 -0.44 0.00 0.00 34.13 31.46 3kl9 s GLU 87 CO 0.05 -0.04 0.13 0.42 0.95 0.00 0.00 175.26 176.77 3kl9 s ILE 88 N -2.10 2.05 0.00 1.83 1.01 0.90 -4.82 121.20 120.07 3kl9 s ILE 88 Ca 0.61 -2.47 0.00 0.00 0.00 0.00 0.00 60.65 58.80 3kl9 s ILE 88 Cb -0.11 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.88 3kl9 s ILE 88 CO 0.15 -0.69 0.00 0.61 0.00 0.00 0.00 174.94 175.01 3kl9 n GLY 89 N 3.98 0.04 3.67 6.18 0.00 -1.26 -1.57 105.19 116.24 3kl9 n GLY 89 Ca 0.04 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.84 1.80 -0.08 -0.02 0.00 -1.26 -4.84 107.32 101.07 3kl9 s GLY 90 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.17 3kl9 s GLY 90 CO 0.00 2.35 -0.07 -0.98 0.00 0.00 0.00 173.10 174.40 3kl9 s TRP 91 N 3.07 2.93 -0.28 1.90 0.52 -1.26 -4.94 118.94 120.88 3kl9 s TRP 91 Ca 0.53 -0.07 -0.29 0.00 0.02 0.00 0.00 56.10 56.29 3kl9 s TRP 91 Cb -0.21 -1.75 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 3kl9 s TRP 91 CO 0.15 0.24 1.24 1.21 0.02 0.00 0.00 176.95 179.81 3kl9 s ASN 92 N -0.57 6.79 0.34 2.95 2.47 -1.26 -4.90 114.94 120.75 3kl9 s ASN 92 Ca 0.08 1.27 0.19 0.00 0.42 0.00 0.00 52.86 54.82 3kl9 s ASN 92 Cb -0.12 -2.54 1.04 0.00 -1.45 0.00 0.00 41.25 38.18 3kl9 s ASN 92 CO 0.02 -0.97 1.55 -0.65 -3.72 0.00 0.00 177.10 173.33 3kl9 h PRO 93 N 8.80 0.00 0.00 0.43 0.11 -1.99 -1.14 132.00 138.21 3kl9 h PRO 93 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 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 1.02 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.48 3kl9 n MET 94 N -2.21 0.14 -0.00 1.05 2.81 -1.26 -3.11 117.12 114.54 3kl9 n MET 94 Ca -0.01 0.32 0.05 0.00 -1.81 0.00 0.00 57.70 56.25 3kl9 n MET 94 Cb 0.15 -1.74 -0.07 0.00 -0.71 0.00 0.00 33.22 30.86 3kl9 n MET 94 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3kl9 n VAL 95 N -1.99 0.00 0.09 2.03 0.24 -0.43 -4.67 118.33 113.61 3kl9 n VAL 95 Ca 0.03 -0.23 -0.05 0.00 -2.04 0.00 0.00 64.34 62.05 3kl9 n VAL 95 Cb 0.25 0.96 0.13 0.00 -1.47 0.00 0.00 33.84 33.70 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 0.00 1.39 -3.90 3.34 2.07 -1.65 -3.46 116.25 114.04 3kl9 h VAL 96 Ca 0.00 -1.99 -0.49 0.00 0.82 0.00 0.00 66.70 65.03 3kl9 h VAL 96 Cb 0.28 2.01 0.02 0.00 -1.52 0.00 0.00 31.29 32.09 3kl9 h VAL 96 CO 0.00 0.59 0.45 -0.44 0.02 0.00 0.00 177.57 178.19 3kl9 s SER 97 N -6.89 6.90 -1.11 0.57 0.01 -1.26 -4.02 113.70 107.90 3kl9 s SER 97 Ca -0.04 2.18 -0.14 0.00 1.31 0.00 0.00 55.95 59.26 3kl9 s SER 97 Cb 0.12 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 3kl9 s SER 97 CO 0.79 -0.40 0.84 -1.20 0.41 0.00 0.00 173.24 173.69 3kl9 n SER 98 N 0.42 -5.59 -4.25 2.44 7.64 -1.00 -4.98 113.62 108.30 3kl9 n SER 98 Ca 0.03 -0.89 -0.18 0.00 1.01 0.00 0.00 58.87 58.83 3kl9 n SER 98 Cb 0.47 -4.12 -0.11 0.00 -1.01 0.00 0.00 64.21 59.44 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 -5.38 1.04 0.06 1.43 -1.52 -1.24 -4.91 119.66 109.14 3kl9 s GLN 99 Ca 0.44 -1.25 -0.12 0.00 -1.95 0.00 0.00 55.36 52.49 3kl9 s GLN 99 Cb -0.12 -0.94 -0.06 0.00 -0.22 0.00 0.00 33.01 31.67 3kl9 s GLN 99 CO 0.81 0.18 0.42 1.03 -0.25 0.00 0.00 175.29 177.49 3kl9 s ARG 100 N -2.65 3.84 0.06 2.91 0.52 -1.26 -1.27 118.95 121.10 3kl9 s ARG 100 Ca 0.09 0.30 -0.06 0.00 -0.52 0.00 0.00 55.73 55.55 3kl9 s ARG 100 Cb -0.05 -3.07 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 3kl9 s ARG 100 CO 0.03 0.60 0.10 -0.06 0.02 0.00 0.00 175.30 175.99 3kl9 s PHE 101 N -1.29 0.27 -0.24 -0.53 0.08 0.14 -1.12 117.98 115.28 3kl9 s PHE 101 Ca 0.30 -0.70 -0.07 0.00 0.12 0.00 0.00 56.93 56.58 3kl9 s PHE 101 Cb -0.15 -0.18 -0.03 0.00 -0.57 0.00 0.00 43.02 42.10 3kl9 s PHE 101 CO 0.16 -0.45 0.05 0.15 -0.10 0.00 0.00 175.22 175.04 3kl9 s LYS 102 N -3.54 3.61 0.01 0.44 1.02 0.26 -1.05 119.74 120.50 3kl9 s LYS 102 Ca 0.03 -0.50 -0.24 0.00 0.02 0.00 0.00 55.97 55.28 3kl9 s LYS 102 Cb 0.04 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 3kl9 s LYS 102 CO -0.09 -0.18 0.74 -1.17 -0.92 0.00 0.00 175.35 173.73 3kl9 s LEU 103 N 1.55 4.41 -0.27 3.17 0.20 0.83 -0.92 118.68 127.66 3kl9 s LEU 103 Ca 0.06 1.36 -0.04 0.00 0.69 0.00 0.00 54.13 56.20 3kl9 s LEU 103 Cb -0.15 -3.17 0.01 0.00 -0.43 0.00 0.00 46.19 42.46 3kl9 s LEU 103 CO 0.02 -0.01 0.01 -0.76 -0.29 0.00 0.00 176.35 175.32 3kl9 s LEU 104 N 0.13 3.45 0.37 -0.68 1.02 -0.34 -0.42 118.68 122.22 3kl9 s LEU 104 Ca 0.38 -0.72 -0.17 0.00 0.02 0.00 0.00 54.13 53.63 3kl9 s LEU 104 Cb -0.20 -1.78 -0.10 0.00 0.02 0.00 0.00 46.19 44.14 3kl9 s LEU 104 CO 0.21 -0.14 0.83 -0.89 0.02 0.00 0.00 176.35 176.38 3kl9 s THR 105 N 1.43 4.56 0.26 5.49 2.01 -0.41 -3.71 115.64 125.28 3kl9 s THR 105 Ca 0.02 1.16 -0.04 0.00 0.31 0.00 0.00 61.69 63.14 3kl9 s THR 105 Cb -0.17 -3.61 0.26 0.00 0.01 0.00 0.00 72.50 68.99 3kl9 s THR 105 CO -0.01 -0.27 1.88 -0.09 -0.69 0.00 0.00 174.62 175.44 3kl9 h ARG 106 N 2.04 1.12 0.00 4.92 2.43 -1.89 -2.37 114.38 120.63 3kl9 h ARG 106 Ca -0.48 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3kl9 h ARG 106 Cb 1.18 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3kl9 h ARG 106 CO 0.63 0.74 0.00 -0.40 -1.51 0.00 0.00 179.97 179.44 3kl9 n ASP 107 N -4.51 0.43 0.00 -3.80 5.68 -1.26 -4.92 116.55 108.16 3kl9 n ASP 107 Ca 0.14 0.56 0.00 0.00 -0.50 0.00 0.00 54.79 54.99 3kl9 n ASP 107 Cb 0.16 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 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 0.88 1.62 3.52 6.12 0.00 -0.89 -5.11 105.19 111.32 3kl9 n GLY 108 Ca 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.58 3kl9 n GLY 108 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kl9 n HIS 109 N 0.00 0.67 -3.82 1.61 8.25 -1.26 -4.73 115.22 115.94 3kl9 n HIS 109 Ca 0.00 0.82 -0.36 0.00 -0.26 0.00 0.00 57.72 57.92 3kl9 n HIS 109 Cb 0.00 -2.15 -0.12 0.00 1.12 0.00 0.00 29.99 28.83 3kl9 n HIS 109 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3kl9 s GLU 110 N -0.82 2.19 -0.16 -0.41 2.02 -1.26 -1.29 118.70 118.98 3kl9 s GLU 110 Ca 0.69 -1.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.04 3kl9 s GLU 110 Cb -0.89 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 29.86 3kl9 s GLU 110 CO 0.56 -0.89 0.01 0.96 0.02 0.00 0.00 175.26 175.92 3kl9 s ILE 111 N 1.20 4.37 0.15 -1.63 -5.25 0.43 -4.89 121.20 115.58 3kl9 s ILE 111 Ca 0.03 -0.19 -0.31 0.00 -0.99 0.00 0.00 60.65 59.19 3kl9 s ILE 111 Cb -0.21 -2.93 -0.10 0.00 2.95 0.00 0.00 42.46 42.16 3kl9 s ILE 111 CO -0.03 0.49 1.71 -2.84 -1.79 0.00 0.00 174.94 172.48 3kl9 s PRO 112 N 0.21 4.16 -0.02 0.37 0.02 -1.26 -0.12 135.00 138.37 3kl9 s PRO 112 Ca 0.01 2.50 0.01 0.00 0.02 0.00 0.00 61.00 63.54 3kl9 s PRO 112 Cb -0.13 -3.34 0.01 0.00 0.02 0.00 0.00 34.50 31.06 3kl9 s PRO 112 CO 0.02 -0.74 -0.01 0.08 -0.33 0.00 0.00 177.00 176.01 3kl9 s VAL 113 N 1.91 0.20 0.20 3.83 1.01 -0.21 -4.46 120.40 122.87 3kl9 s VAL 113 Ca 0.75 -0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.83 3kl9 s VAL 113 Cb -0.45 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3kl9 s VAL 113 CO 0.33 0.11 -0.20 0.27 0.00 0.00 0.00 175.10 175.60 3kl9 s ILE 114 N 0.49 2.56 0.19 2.22 -4.36 -0.30 0.24 121.20 122.24 3kl9 s ILE 114 Ca -0.05 -1.98 -0.16 0.00 -0.26 0.00 0.00 60.65 58.20 3kl9 s ILE 114 Cb -0.08 -2.25 -0.08 0.00 1.25 0.00 0.00 42.46 41.31 3kl9 s ILE 114 CO -0.01 -0.14 0.63 -0.94 0.24 0.00 0.00 174.94 174.72 3kl9 s SER 115 N -2.78 6.91 -0.04 4.36 1.04 -0.39 0.02 113.70 122.81 3kl9 s SER 115 Ca 0.22 1.22 -0.02 0.00 0.48 0.00 0.00 55.95 57.86 3kl9 s SER 115 Cb -0.08 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.69 3kl9 s SER 115 CO 0.11 0.06 -0.03 1.23 0.98 0.00 0.00 173.24 175.59 3kl9 h GLY 116 N 3.41 0.00 -5.41 7.32 0.00 -1.01 -2.66 103.07 104.72 3kl9 h GLY 116 Ca -0.48 0.00 0.15 0.00 0.00 0.00 0.00 47.33 46.99 3kl9 h GLY 116 CO 0.66 0.00 -0.09 2.56 0.00 0.00 0.00 176.54 179.66 3kl9 s PRO 132 N -1.29 0.18 -0.13 4.80 0.04 -1.26 -4.32 135.00 133.02 3kl9 s PRO 132 Ca -0.03 -0.02 -0.08 0.00 0.04 0.00 0.00 61.00 60.92 3kl9 s PRO 132 Cb 0.00 0.03 -0.04 0.00 0.04 0.00 0.00 34.50 34.53 3kl9 s PRO 132 CO 0.04 -0.27 0.16 0.00 0.04 0.00 0.00 177.00 176.97 3kl9 s ALA 133 N 2.20 3.83 0.28 8.56 0.00 -1.26 -4.89 121.76 130.48 3kl9 s ALA 133 Ca 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3kl9 s ALA 133 Cb 0.02 -2.04 0.53 0.00 0.00 0.00 0.00 23.12 21.63 3kl9 s ALA 133 CO -0.17 0.52 1.83 0.82 0.00 0.00 0.00 175.76 178.77 3kl9 h ILE 134 N 4.09 0.91 0.00 0.00 2.04 -1.95 0.37 117.51 122.97 3kl9 h ILE 134 Ca -0.52 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 3kl9 h ILE 134 Cb 1.21 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3kl9 h ILE 134 CO 0.62 0.17 -0.02 0.00 0.00 0.00 0.00 178.15 178.92 3kl9 h ALA 135 N 1.53 1.08 0.00 1.87 0.00 -1.96 -2.62 119.26 119.16 3kl9 h ALA 135 Ca 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3kl9 h ALA 135 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kl9 h ALA 135 CO -0.27 0.03 -0.88 -0.25 0.00 0.00 0.00 179.25 177.88 3kl9 n ASP 136 N -3.22 0.69 -4.73 0.00 8.00 0.10 -4.59 116.55 112.79 3kl9 n ASP 136 Ca -0.02 -0.47 -0.42 0.00 0.71 0.00 0.00 54.79 54.60 3kl9 n ASP 136 Cb 0.18 0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 41.96 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 -3.08 3.51 -0.08 0.53 1.01 -0.99 -4.98 121.20 117.12 3kl9 s ILE 137 Ca 0.07 1.16 -0.29 0.00 0.00 0.00 0.00 60.65 61.59 3kl9 s ILE 137 Cb 0.16 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 3kl9 s ILE 137 CO 0.79 0.14 0.97 -0.69 0.00 0.00 0.00 174.94 176.15 3kl9 s VAL 138 N 0.55 4.83 -0.13 2.92 1.01 -1.26 -4.63 120.40 123.68 3kl9 s VAL 138 Ca 0.58 2.00 -0.03 0.00 0.00 0.00 0.00 61.98 64.53 3kl9 s VAL 138 Cb -0.34 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 3kl9 s VAL 138 CO 0.34 0.06 -0.01 -0.36 0.00 0.00 0.00 175.10 175.13 3kl9 s PHE 139 N 1.66 3.11 -0.08 5.22 0.40 -0.50 -0.31 117.98 127.48 3kl9 s PHE 139 Ca 0.48 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.79 3kl9 s PHE 139 Cb -0.19 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.46 3kl9 s PHE 139 CO 0.21 0.21 -0.10 0.34 0.70 0.00 0.00 175.22 176.58 3kl9 s ASP 140 N -0.18 1.80 0.00 1.36 3.68 0.10 0.54 116.67 123.97 3kl9 s ASP 140 Ca 0.05 -0.27 0.13 0.00 2.13 0.00 0.00 52.55 54.58 3kl9 s ASP 140 Cb -0.13 -0.78 0.31 0.00 -1.45 0.00 0.00 42.92 40.88 3kl9 s ASP 140 CO 0.02 -0.03 1.23 0.61 0.13 0.00 0.00 175.17 177.13 3kl9 n GLY 141 N 4.23 2.23 2.73 2.66 0.00 -1.26 -1.15 105.19 114.63 3kl9 n GLY 141 Ca -0.20 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 0.69 0.04 3.94 -0.02 0.00 -1.26 -4.94 105.19 103.65 3kl9 n GLY 142 Ca 0.13 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.16 3.13 -0.06 1.61 0.40 -1.26 -5.05 117.98 113.59 3kl9 s PHE 143 Ca 0.33 -0.19 -0.17 0.00 -0.60 0.00 0.00 56.93 56.30 3kl9 s PHE 143 Cb -0.15 -1.81 -0.31 0.00 0.51 0.00 0.00 43.02 41.27 3kl9 s PHE 143 CO 0.41 0.18 0.76 0.00 0.70 0.00 0.00 175.22 177.27 3kl9 h ALA 144 N 1.09 0.02 -2.96 5.36 0.00 -1.92 -3.45 119.26 117.41 3kl9 h ALA 144 Ca -0.47 -0.92 -0.08 0.00 0.00 0.00 0.00 54.91 53.44 3kl9 h ALA 144 Cb 1.25 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 3kl9 h ALA 144 CO 0.56 0.67 0.10 0.16 0.00 0.00 0.00 179.25 180.75 3kl9 s ASP 145 N -7.14 0.20 0.24 0.00 3.84 -1.26 -4.56 116.67 107.98 3kl9 s ASP 145 Ca -0.15 -1.13 -0.06 0.00 -0.00 0.00 0.00 52.55 51.21 3kl9 s ASP 145 Cb 0.03 0.75 0.43 0.00 -1.38 0.00 0.00 42.92 42.75 3kl9 s ASP 145 CO 0.83 -1.47 1.71 0.50 -0.00 0.00 0.00 175.17 176.74 3kl9 h LYS 146 N 2.06 0.34 -0.57 2.11 3.64 -0.92 -2.61 116.57 120.62 3kl9 h LYS 146 Ca -0.29 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.15 3kl9 h LYS 146 Cb 1.25 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 3kl9 h LYS 146 CO 0.37 0.23 0.24 0.00 -2.27 0.00 0.00 179.45 178.01 3kl9 h ALA 147 N 1.55 0.73 -0.53 5.00 0.00 -1.91 -1.27 119.26 122.83 3kl9 h ALA 147 Ca 0.39 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 3kl9 h ALA 147 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3kl9 h ALA 147 CO -0.43 -0.15 0.07 1.49 0.00 0.00 0.00 179.25 180.23 3kl9 h GLU 148 N 0.45 0.88 -0.79 0.00 4.81 -1.88 0.03 114.58 118.08 3kl9 h GLU 148 Ca 0.27 -0.25 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3kl9 h GLU 148 Cb 0.28 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 3kl9 h GLU 148 CO -0.24 0.87 0.49 0.00 -0.73 0.00 0.00 179.01 179.39 3kl9 h ALA 149 N 0.98 1.06 -0.20 2.92 0.00 -1.27 -2.02 119.26 120.73 3kl9 h ALA 149 Ca 0.16 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3kl9 h ALA 149 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kl9 h ALA 149 CO 0.01 0.24 -0.39 0.93 0.00 0.00 0.00 179.25 180.05 3kl9 h GLU 150 N 0.91 0.44 0.00 0.00 5.08 -0.85 -2.72 114.58 117.44 3kl9 h GLU 150 Ca 0.33 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3kl9 h GLU 150 Cb 0.11 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3kl9 h GLU 150 CO -0.15 0.77 0.00 -1.13 -1.00 0.00 0.00 179.01 177.50 3kl9 n SER 151 N -4.04 0.00 -1.51 1.42 3.41 -0.04 -0.95 113.62 111.92 3kl9 n SER 151 Ca -0.01 0.27 0.08 0.00 -0.26 0.00 0.00 58.87 58.95 3kl9 n SER 151 Cb 0.49 -0.38 0.35 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.38 1.56 -0.92 7.33 3.01 -1.04 -4.94 117.46 121.09 3kl9 n PHE 152 Ca 0.05 -0.71 0.00 0.00 1.01 0.00 0.00 57.45 57.79 3kl9 n PHE 152 Cb 0.12 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 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 0.52 0.54 3.68 1.37 0.00 -0.12 -4.87 105.19 106.31 3kl9 n GLY 153 Ca 0.25 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 4.86 0.11 -0.61 1.01 -1.16 -4.37 121.20 119.03 3kl9 s ILE 154 Ca 0.00 1.78 0.05 0.00 0.00 0.00 0.00 60.65 62.48 3kl9 s ILE 154 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3kl9 s ILE 154 CO 0.00 0.04 -0.13 -0.13 0.00 0.00 0.00 174.94 174.72 3kl9 s ARG 155 N 1.96 0.95 0.30 2.79 1.81 -1.26 -4.33 118.95 121.16 3kl9 s ARG 155 Ca 0.42 -1.19 -0.30 0.00 -1.72 0.00 0.00 55.73 52.95 3kl9 s ARG 155 Cb -0.17 -0.77 -0.12 0.00 -0.45 0.00 0.00 34.95 33.44 3kl9 s ARG 155 CO 0.15 0.14 1.47 -2.30 -0.68 0.00 0.00 175.30 174.08 3kl9 n PRO 156 N 0.59 2.40 0.00 3.54 -0.02 -1.26 -2.04 135.00 138.21 3kl9 n PRO 156 Ca -0.16 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3kl9 n PRO 156 Cb 0.57 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.61 1.55 3.71 -1.23 0.00 0.86 -5.00 105.19 106.69 3kl9 n GLY 157 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.78 6.64 0.50 1.61 1.01 -0.86 -4.73 116.67 119.06 3kl9 s ASP 158 Ca 0.00 2.54 -0.21 0.00 0.71 0.00 0.00 52.55 55.59 3kl9 s ASP 158 Cb 0.00 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.27 3kl9 s ASP 158 CO 0.00 -0.80 1.13 0.28 0.21 0.00 0.00 175.17 176.00 3kl9 s THR 159 N 1.34 3.21 -0.21 -1.27 -1.32 -1.24 -1.44 115.64 114.70 3kl9 s THR 159 Ca 0.69 0.82 -0.02 0.00 -1.21 0.00 0.00 61.69 61.98 3kl9 s THR 159 Cb -0.42 -3.37 0.06 0.00 -1.51 0.00 0.00 72.50 67.26 3kl9 s THR 159 CO 0.31 -0.10 0.00 -0.63 -2.21 0.00 0.00 174.62 172.00 3kl9 s ILE 160 N -1.69 0.88 -0.15 5.08 1.01 0.12 -1.19 121.20 125.26 3kl9 s ILE 160 Ca 0.68 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 3kl9 s ILE 160 Cb -0.25 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3kl9 s ILE 160 CO 0.30 -0.17 -0.00 -0.69 0.00 0.00 0.00 174.94 174.37 3kl9 s VAL 161 N 1.69 4.22 0.18 2.92 1.01 -0.10 -1.14 120.40 129.18 3kl9 s VAL 161 Ca -0.03 -0.25 -0.33 0.00 0.00 0.00 0.00 61.98 61.37 3kl9 s VAL 161 Cb -0.18 -2.84 -0.15 0.00 0.00 0.00 0.00 36.38 33.21 3kl9 s VAL 161 CO -0.07 0.51 1.34 -2.65 0.00 0.00 0.00 175.10 174.23 3kl9 n PRO 162 N 3.22 1.61 -3.44 2.72 -0.02 -1.26 -0.57 135.00 137.25 3kl9 n PRO 162 Ca -0.17 0.58 -0.44 0.00 -2.02 0.00 0.00 63.50 61.45 3kl9 n PRO 162 Cb 0.53 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.31 6.15 -0.09 2.55 2.15 -0.28 -4.74 116.67 122.73 3kl9 s ASP 163 Ca 0.74 -2.36 -0.05 0.00 0.43 0.00 0.00 52.55 51.31 3kl9 s ASP 163 Cb -0.77 -2.11 0.04 0.00 -0.30 0.00 0.00 42.92 39.78 3kl9 s ASP 163 CO 0.48 -0.63 0.21 -0.55 -0.17 0.00 0.00 175.17 174.52 3kl9 s SER 164 N 2.33 -0.22 0.40 -0.34 0.15 -1.26 -4.72 113.70 110.04 3kl9 s SER 164 Ca 0.12 0.45 0.01 0.00 0.70 0.00 0.00 55.95 57.23 3kl9 s SER 164 Cb -0.20 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 3kl9 s SER 164 CO -0.04 -0.14 0.61 -0.94 1.20 0.00 0.00 173.24 173.93 3kl9 s SER 165 N 0.98 6.02 -0.16 5.45 1.04 -1.26 -4.45 113.70 121.32 3kl9 s SER 165 Ca -0.07 0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.54 3kl9 s SER 165 Cb -0.09 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.30 3kl9 s SER 165 CO -0.06 -0.52 0.24 0.00 0.98 0.00 0.00 173.24 173.88 3kl9 s ALA 166 N -2.43 3.65 0.07 5.32 0.00 -1.26 -4.42 121.76 122.68 3kl9 s ALA 166 Ca 0.45 -0.52 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 3kl9 s ALA 166 Cb -0.10 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 3kl9 s ALA 166 CO 0.37 0.17 -0.04 0.96 0.00 0.00 0.00 175.76 177.22 3kl9 s ILE 167 N 0.25 0.36 0.39 0.00 -4.36 -0.31 -4.95 121.20 112.56 3kl9 s ILE 167 Ca 0.14 -1.85 -0.21 0.00 -0.26 0.00 0.00 60.65 58.47 3kl9 s ILE 167 Cb -0.13 -1.58 -0.10 0.00 1.25 0.00 0.00 42.46 41.90 3kl9 s ILE 167 CO 0.03 -0.95 0.91 -0.76 0.24 0.00 0.00 174.94 174.40 3kl9 s LEU 168 N -2.96 4.05 0.83 0.37 1.02 -1.26 -0.98 118.68 119.75 3kl9 s LEU 168 Ca 0.09 1.66 -0.12 0.00 0.02 0.00 0.00 54.13 55.77 3kl9 s LEU 168 Cb 0.07 -4.33 0.09 0.00 0.02 0.00 0.00 46.19 42.04 3kl9 s LEU 168 CO -0.08 -0.26 1.17 0.42 0.02 0.00 0.00 176.35 177.61 3kl9 s THR 169 N -2.01 2.04 0.37 5.49 -4.23 -0.41 -4.83 115.64 112.06 3kl9 s THR 169 Ca 0.58 0.01 0.11 0.00 -1.18 0.00 0.00 61.69 61.21 3kl9 s THR 169 Cb -0.11 -2.97 0.33 0.00 1.34 0.00 0.00 72.50 71.09 3kl9 s THR 169 CO 0.16 -0.02 1.88 0.00 -0.54 0.00 0.00 174.62 176.10 3kl9 h ALA 170 N -1.13 1.90 -0.01 3.99 0.00 -1.98 -0.62 119.26 121.42 3kl9 h ALA 170 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kl9 h ALA 170 Cb 1.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kl9 h ALA 170 CO 0.65 -0.13 -0.19 0.27 0.00 0.00 0.00 179.25 179.85 3kl9 n ASN 171 N -4.54 0.71 -0.47 0.00 0.23 -1.26 -4.94 115.26 104.98 3kl9 n ASN 171 Ca 0.17 -0.67 -0.06 0.00 -0.53 0.00 0.00 54.58 53.48 3kl9 n ASN 171 Cb 0.48 0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.18 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 -0.86 -1.20 -0.00 -3.83 1.02 -0.24 -4.81 120.64 110.72 3kl9 n GLU 172 Ca 0.13 0.63 0.09 0.00 -0.02 0.00 0.00 57.16 57.99 3kl9 n GLU 172 Cb 0.31 -4.68 -0.13 0.00 -0.02 0.00 0.00 31.44 26.92 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 -1.27 0.63 -4.44 3.49 4.76 -1.26 -4.92 118.16 115.15 3kl9 n LYS 173 Ca -0.06 -0.08 -0.22 0.00 -2.87 0.00 0.00 58.31 55.08 3kl9 n LYS 173 Cb 0.40 -1.44 -0.10 0.00 -1.84 0.00 0.00 35.03 32.05 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 -3.50 2.95 0.05 4.39 0.01 -1.26 -2.30 114.94 115.27 3kl9 s ASN 174 Ca 0.00 -1.16 0.05 0.00 -0.71 0.00 0.00 52.86 51.04 3kl9 s ASN 174 Cb 0.14 -0.20 -0.02 0.00 0.41 0.00 0.00 41.25 41.57 3kl9 s ASN 174 CO 0.80 -0.27 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.35 3kl9 s ILE 175 N -2.91 1.11 -0.17 0.60 1.01 0.12 -1.29 121.20 119.66 3kl9 s ILE 175 Ca 0.29 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3kl9 s ILE 175 Cb 0.02 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.48 3kl9 s ILE 175 CO 0.12 -0.06 -0.17 -0.63 0.00 0.00 0.00 174.94 174.21 3kl9 s ILE 176 N -0.96 2.44 0.36 2.92 1.01 -0.15 -2.10 121.20 124.73 3kl9 s ILE 176 Ca 0.01 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 3kl9 s ILE 176 Cb -0.08 -2.03 0.05 0.00 0.01 0.00 0.00 42.46 40.40 3kl9 s ILE 176 CO 0.01 0.52 0.76 -0.94 0.00 0.00 0.00 174.94 175.29 3kl9 s SER 177 N 1.06 0.01 0.53 3.58 1.04 -0.46 -1.17 113.70 118.29 3kl9 s SER 177 Ca -0.01 -1.07 -0.02 0.00 0.48 0.00 0.00 55.95 55.33 3kl9 s SER 177 Cb -0.14 0.82 0.01 0.00 0.10 0.00 0.00 66.02 66.80 3kl9 s SER 177 CO -0.05 -1.61 0.79 -1.59 0.98 0.00 0.00 173.24 171.76 3kl9 s LYS 178 N -2.65 2.92 -1.49 4.02 -2.85 -1.22 0.10 119.74 118.57 3kl9 s LYS 178 Ca 0.16 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.82 3kl9 s LYS 178 Cb -0.05 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 3kl9 s LYS 178 CO 0.11 -0.53 0.00 0.00 0.10 0.00 0.00 175.35 175.03 3kl9 n ALA 179 N -2.35 -0.60 0.13 0.59 0.00 -1.26 -4.80 120.51 112.22 3kl9 n ALA 179 Ca 0.04 0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.68 3kl9 n ALA 179 Cb 0.58 -1.80 0.46 0.00 0.00 0.00 0.00 19.45 18.68 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 0.23 -3.07 0.00 -0.00 -1.94 -0.37 115.95 110.80 3kl9 h TRP 180 Ca -0.38 -0.01 -0.65 0.00 -0.00 0.00 0.00 58.89 57.85 3kl9 h TRP 180 Cb 1.24 -0.07 -0.16 0.00 -0.00 0.00 0.00 29.16 30.17 3kl9 h TRP 180 CO 0.59 0.27 0.33 0.34 -0.00 0.00 0.00 178.44 179.97 3kl9 s ASP 181 N -6.89 6.25 -0.39 2.65 2.15 -1.26 -1.05 116.67 118.12 3kl9 s ASP 181 Ca -0.06 -0.80 0.12 0.00 0.43 0.00 0.00 52.55 52.24 3kl9 s ASP 181 Cb 0.16 -2.37 0.41 0.00 -0.30 0.00 0.00 42.92 40.83 3kl9 s ASP 181 CO 0.72 -1.14 0.95 -3.20 -0.17 0.00 0.00 175.17 172.33 3kl9 n ASN 182 N 6.94 2.53 0.16 -0.34 4.05 -1.16 -4.71 115.26 122.72 3kl9 n ASN 182 Ca -0.04 -3.14 0.03 0.00 0.45 0.00 0.00 54.58 51.88 3kl9 n ASN 182 Cb 0.46 -0.53 0.21 0.00 1.23 0.00 0.00 39.78 41.15 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 2.89 0.00 -0.84 1.20 2.47 -0.46 -2.54 114.38 117.11 3kl9 h ARG 183 Ca 0.07 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.90 3kl9 h ARG 183 Cb 0.99 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.19 3kl9 h ARG 183 CO 0.63 0.48 -0.46 -0.92 0.56 0.00 0.00 179.97 180.26 3kl9 h TYR 184 N 0.00 -1.38 -0.67 3.04 5.03 -1.29 0.13 116.97 121.82 3kl9 h TYR 184 Ca -0.00 0.10 -0.07 0.00 2.58 0.00 0.00 58.73 61.34 3kl9 h TYR 184 Cb 1.10 0.72 -0.03 0.00 1.55 0.00 0.00 36.73 40.07 3kl9 h TYR 184 CO 0.00 -0.40 0.14 0.78 -1.32 0.00 0.00 178.16 177.36 3kl9 h GLY 185 N -0.09 1.16 0.97 1.82 0.00 -1.68 0.85 103.07 106.10 3kl9 h GLY 185 Ca 0.23 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 3kl9 h GLY 185 CO -0.86 0.68 -0.05 -2.08 0.00 0.00 0.00 176.54 174.23 3kl9 h VAL 186 N 1.02 0.92 -0.79 4.60 2.07 -1.06 -1.11 116.25 121.89 3kl9 h VAL 186 Ca 0.21 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3kl9 h VAL 186 Cb 0.39 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3kl9 h VAL 186 CO 0.01 0.02 0.45 0.25 0.02 0.00 0.00 177.57 178.31 3kl9 h LEU 187 N -0.18 0.97 -1.26 2.57 6.46 -0.86 -1.42 115.31 121.59 3kl9 h LEU 187 Ca -0.01 -0.09 0.09 0.00 -0.12 0.00 0.00 57.88 57.75 3kl9 h LEU 187 Cb 0.14 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 39.77 3kl9 h LEU 187 CO 0.02 0.78 0.55 -0.03 -0.62 0.00 0.00 178.44 179.14 3kl9 h MET 188 N 1.09 0.81 -0.01 1.25 4.05 -0.44 0.88 114.93 122.56 3kl9 h MET 188 Ca 0.28 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.41 3kl9 h MET 188 Cb 0.01 -0.18 0.02 0.00 -0.80 0.00 0.00 31.60 30.64 3kl9 h MET 188 CO -0.05 0.54 -0.92 0.28 0.23 0.00 0.00 176.91 176.98 3kl9 h VAL 189 N 0.83 1.31 0.16 -5.77 2.07 -0.73 -2.32 116.25 111.81 3kl9 h VAL 189 Ca 0.39 -2.19 0.01 0.00 0.82 0.00 0.00 66.70 65.73 3kl9 h VAL 189 Cb 0.39 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 3kl9 h VAL 189 CO -0.15 0.67 -0.26 -1.28 0.02 0.00 0.00 177.57 176.57 3kl9 h SER 190 N 0.29 -0.71 -0.83 0.57 0.87 -0.35 -0.67 113.55 112.71 3kl9 h SER 190 Ca -0.11 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3kl9 h SER 190 Cb 1.59 0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 63.77 3kl9 h SER 190 CO 0.18 -0.35 0.52 -0.33 -0.53 0.00 0.00 176.83 176.32 3kl9 h GLU 191 N -0.49 1.12 0.26 2.24 4.39 -0.93 -1.65 114.58 119.52 3kl9 h GLU 191 Ca 0.02 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.64 3kl9 h GLU 191 Cb 0.49 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 3kl9 h GLU 191 CO -0.12 0.77 -0.35 1.25 -1.16 0.00 0.00 179.01 179.40 3kl9 h LEU 192 N 1.14 -0.98 -0.79 1.33 6.46 -1.14 0.12 115.31 121.44 3kl9 h LEU 192 Ca 0.30 0.10 0.12 0.00 -0.12 0.00 0.00 57.88 58.28 3kl9 h LEU 192 Cb -0.08 0.35 -0.08 0.00 -0.73 0.00 0.00 40.66 40.12 3kl9 h LEU 192 CO -0.06 -0.47 0.40 0.00 -0.62 0.00 0.00 178.44 177.69 3kl9 h ALA 193 N -0.16 1.14 -0.18 1.25 0.00 -0.92 -1.02 119.26 119.37 3kl9 h ALA 193 Ca -0.00 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3kl9 h ALA 193 Cb 0.64 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3kl9 h ALA 193 CO -0.12 -0.05 -0.19 1.49 0.00 0.00 0.00 179.25 180.38 3kl9 h GLU 194 N 0.63 0.45 0.00 0.00 4.81 -0.95 -3.01 114.58 116.51 3kl9 h GLU 194 Ca 0.41 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3kl9 h GLU 194 Cb 0.50 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3kl9 h GLU 194 CO -0.31 0.81 -0.24 0.00 -0.73 0.00 0.00 179.01 178.53 3kl9 h ALA 195 N 0.63 1.09 -0.25 2.92 0.00 -0.36 -3.03 119.26 120.26 3kl9 h ALA 195 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kl9 h ALA 195 Cb 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3kl9 h ALA 195 CO 0.05 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.88 3kl9 n LEU 196 N -3.52 2.46 0.10 0.00 4.32 -0.42 -4.65 117.00 115.29 3kl9 n LEU 196 Ca -0.01 -1.03 -0.13 0.00 -0.02 0.00 0.00 56.01 54.83 3kl9 n LEU 196 Cb 0.40 -0.16 -0.06 0.00 -1.62 0.00 0.00 43.42 41.99 3kl9 n LEU 196 CO 0.34 0.51 0.64 -1.28 -1.22 0.00 0.00 177.39 176.38 3kl9 h SER 197 N 3.27 -0.98 -0.10 -1.43 0.87 -1.40 -2.45 113.55 111.33 3kl9 h SER 197 Ca 0.00 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3kl9 h SER 197 Cb 0.72 0.38 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 3kl9 h SER 197 CO 0.00 -0.41 0.04 1.23 -0.53 0.00 0.00 176.83 177.16 3kl9 h GLY 198 N -0.54 0.16 -3.01 5.77 0.00 -1.85 -3.47 103.07 100.13 3kl9 h GLY 198 Ca 0.04 -0.08 -0.58 0.00 0.00 0.00 0.00 47.33 46.71 3kl9 h GLY 198 CO -0.22 0.08 -0.45 -1.06 0.00 0.00 0.00 176.54 174.88 3kl9 n GLN 199 N -4.93 0.42 -5.07 4.80 1.13 -0.93 -5.04 117.38 107.77 3kl9 n GLN 199 Ca -0.06 0.17 -0.30 0.00 -1.94 0.00 0.00 57.00 54.88 3kl9 n GLN 199 Cb 0.11 -1.70 -0.17 0.00 0.11 0.00 0.00 30.24 28.60 3kl9 n GLN 199 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3kl9 s LYS 200 N -2.24 2.42 0.16 -1.09 -2.85 -1.26 -5.04 119.74 109.84 3kl9 s LYS 200 Ca 0.67 -0.77 0.06 0.00 -1.00 0.00 0.00 55.97 54.93 3kl9 s LYS 200 Cb -0.41 -1.97 -0.04 0.00 -2.06 0.00 0.00 37.83 33.35 3kl9 s LYS 200 CO 0.56 0.24 0.04 -0.51 0.10 0.00 0.00 175.35 175.79 3kl9 s LEU 201 N 0.14 3.48 0.00 2.77 1.43 -1.26 -5.00 118.68 120.24 3kl9 s LEU 201 Ca -0.10 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 3kl9 s LEU 201 Cb -0.15 -2.13 0.26 0.00 0.03 0.00 0.00 46.19 44.21 3kl9 s LEU 201 CO 0.05 0.09 1.03 0.61 0.23 0.00 0.00 176.35 178.36 3kl9 n GLY 202 N -0.13 -0.86 3.15 -3.19 0.00 -1.26 -4.25 105.19 98.64 3kl9 n GLY 202 Ca -0.09 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.28 1.45 -0.76 1.61 2.20 -1.23 -3.91 114.94 113.02 3kl9 s ASN 203 Ca 0.07 -0.64 -0.26 0.00 -0.94 0.00 0.00 52.86 51.08 3kl9 s ASN 203 Cb 0.03 -0.02 0.04 0.00 -2.00 0.00 0.00 41.25 39.30 3kl9 s ASN 203 CO 0.05 -0.14 1.25 -0.70 -2.94 0.00 0.00 177.10 174.62 3kl9 s GLU 204 N -1.92 3.22 -0.19 3.55 2.56 -0.01 -4.34 118.70 121.57 3kl9 s GLU 204 Ca -0.02 -0.43 -0.21 0.00 0.00 0.00 0.00 54.97 54.31 3kl9 s GLU 204 Cb -0.09 -4.31 -0.02 0.00 2.00 0.00 0.00 34.13 31.71 3kl9 s GLU 204 CO 0.01 -2.10 0.64 -1.17 -0.56 0.00 0.00 175.26 172.08 3kl9 s LEU 205 N 5.38 4.15 -0.20 2.70 2.96 -1.06 -1.04 118.68 131.57 3kl9 s LEU 205 Ca 0.34 0.86 -0.05 0.00 -0.22 0.00 0.00 54.13 55.05 3kl9 s LEU 205 Cb -0.08 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 3kl9 s LEU 205 CO 0.12 -0.28 0.01 -0.31 -1.32 0.00 0.00 176.35 174.57 3kl9 s TYR 206 N 1.91 3.07 -0.11 5.38 1.51 0.41 -0.14 117.35 129.38 3kl9 s TYR 206 Ca 0.29 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.99 3kl9 s TYR 206 Cb -0.16 -2.08 0.04 0.00 -0.11 0.00 0.00 41.96 39.65 3kl9 s TYR 206 CO 0.11 -0.16 -0.00 -1.17 -1.11 0.00 0.00 175.55 173.21 3kl9 s LEU 207 N 0.87 0.85 0.00 -1.29 0.20 0.72 -0.30 118.68 119.72 3kl9 s LEU 207 Ca 0.01 -0.32 0.00 0.00 0.69 0.00 0.00 54.13 54.52 3kl9 s LEU 207 Cb -0.14 -0.55 0.00 0.00 -0.43 0.00 0.00 46.19 45.07 3kl9 s LEU 207 CO 0.02 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 176.48 3kl9 n GLY 208 N 5.09 1.68 3.29 7.98 0.00 0.45 0.26 105.19 123.94 3kl9 n GLY 208 Ca -0.08 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.48 0.68 1.61 0.15 -0.75 -2.00 113.70 114.91 3kl9 s SER 209 Ca 0.00 0.87 -0.11 0.00 0.70 0.00 0.00 55.95 57.41 3kl9 s SER 209 Cb 0.00 0.81 -0.00 0.00 -1.71 0.00 0.00 66.02 65.12 3kl9 s SER 209 CO 0.00 -0.17 1.06 0.20 1.20 0.00 0.00 173.24 175.52 3kl9 s ASN 210 N 0.85 5.59 0.24 5.45 0.01 0.12 -2.76 114.94 124.45 3kl9 s ASN 210 Ca -0.05 1.49 -0.00 0.00 -0.71 0.00 0.00 52.86 53.58 3kl9 s ASN 210 Cb -0.06 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 3kl9 s ASN 210 CO -0.07 -1.29 0.43 0.54 -1.51 0.00 0.00 177.10 175.21 3kl9 s VAL 211 N -3.12 5.18 -1.20 1.60 0.11 -1.26 -0.42 120.40 121.29 3kl9 s VAL 211 Ca 0.57 -0.41 -0.19 0.00 -2.93 0.00 0.00 61.98 59.02 3kl9 s VAL 211 Cb -0.13 -3.77 -0.00 0.00 -1.53 0.00 0.00 36.38 30.95 3kl9 s VAL 211 CO 0.54 -0.28 0.71 0.00 -3.33 0.00 0.00 175.10 172.74 3kl9 n GLN 212 N -0.99 -1.48 0.01 1.54 6.02 -1.26 -2.30 117.38 118.92 3kl9 n GLN 212 Ca -0.05 0.40 -0.16 0.00 -0.01 0.00 0.00 57.00 57.18 3kl9 n GLN 212 Cb 0.55 -3.99 -0.14 0.00 1.02 0.00 0.00 30.24 27.68 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 -1.99 0.17 0.00 -1.09 4.22 -1.90 -1.28 114.58 112.71 3kl9 h GLU 213 Ca -0.67 -0.29 -0.01 0.00 0.08 0.00 0.00 59.36 58.47 3kl9 h GLU 213 Cb 1.37 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 3kl9 h GLU 213 CO 0.51 0.94 -0.07 0.93 -2.18 0.00 0.00 179.01 179.15 3kl9 h GLU 214 N 0.05 0.00 -0.72 1.92 4.39 -1.91 -0.62 114.58 117.70 3kl9 h GLU 214 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 3kl9 h GLU 214 Cb 2.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 3kl9 h GLU 214 CO 0.10 0.07 0.00 1.33 -1.16 0.00 0.00 179.01 179.35 3kl9 n VAL 215 N -3.43 1.26 0.00 3.13 0.24 -1.26 -4.11 118.33 114.17 3kl9 n VAL 215 Ca -0.02 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.23 3kl9 n VAL 215 Cb 0.21 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 1.51 0.65 3.30 7.63 0.00 -0.93 -4.83 105.19 112.53 3kl9 n GLY 216 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.52 -0.13 0.99 4.77 -0.28 -4.86 117.00 115.97 3kl9 n LEU 217 Ca 0.00 -0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 55.52 3kl9 n LEU 217 Cb 0.00 -2.12 -0.02 0.00 -2.33 0.00 0.00 43.42 38.95 3kl9 n LEU 217 CO 0.00 0.14 0.76 0.03 -1.33 0.00 0.00 177.39 176.99 3kl9 h ARG 218 N -0.91 0.68 -0.51 3.23 3.08 -1.48 -2.95 114.38 115.51 3kl9 h ARG 218 Ca -0.42 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.40 3kl9 h ARG 218 Cb 1.28 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 3kl9 h ARG 218 CO 0.52 0.80 0.33 0.78 -1.07 0.00 0.00 179.97 181.33 3kl9 h GLY 219 N 0.49 0.73 0.01 0.04 0.00 -1.43 -2.97 103.07 99.93 3kl9 h GLY 219 Ca 0.10 -0.29 0.23 0.00 0.00 0.00 0.00 47.33 47.37 3kl9 h GLY 219 CO 0.03 0.28 0.63 0.00 0.00 0.00 0.00 176.54 177.47 3kl9 h ALA 220 N 1.17 1.97 0.66 3.60 0.00 -1.74 -0.69 119.26 124.24 3kl9 h ALA 220 Ca 0.19 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3kl9 h ALA 220 Cb -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kl9 h ALA 220 CO -0.04 -0.36 -0.43 0.45 0.00 0.00 0.00 179.25 178.87 3kl9 h HIS 221 N 0.55 -1.16 -0.38 0.00 -0.00 -1.52 -2.89 115.15 109.76 3kl9 h HIS 221 Ca 0.58 -0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.83 3kl9 h HIS 221 Cb 1.21 0.42 -0.01 0.00 -0.00 0.00 0.00 27.41 29.02 3kl9 h HIS 221 CO -0.00 -0.64 -0.21 1.79 -0.00 0.00 0.00 177.93 178.86 3kl9 h THR 222 N -1.04 1.27 -0.05 2.45 1.35 -1.33 -2.55 112.91 113.02 3kl9 h THR 222 Ca -0.08 -1.31 -0.02 0.00 -0.55 0.00 0.00 66.41 64.45 3kl9 h THR 222 Cb 0.85 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3kl9 h THR 222 CO 0.07 0.43 -0.03 0.77 -0.25 0.00 0.00 175.52 176.51 3kl9 h SER 223 N 0.64 0.11 -0.75 5.36 4.64 -1.26 -2.37 113.55 119.94 3kl9 h SER 223 Ca 0.09 -0.44 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 3kl9 h SER 223 Cb 0.71 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 3kl9 h SER 223 CO 0.05 0.53 0.37 0.74 -0.87 0.00 0.00 176.83 177.65 3kl9 h THR 224 N -0.31 1.24 -0.65 2.95 2.02 -1.52 -1.04 112.91 115.60 3kl9 h THR 224 Ca 0.01 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.45 3kl9 h THR 224 Cb 0.49 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3kl9 h THR 224 CO 0.01 0.28 0.09 0.74 0.37 0.00 0.00 175.52 177.00 3kl9 h THR 225 N 1.05 1.26 -0.32 3.16 2.02 -1.50 -1.55 112.91 117.03 3kl9 h THR 225 Ca 0.26 -1.06 -0.12 0.00 0.77 0.00 0.00 66.41 66.26 3kl9 h THR 225 Cb 0.11 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3kl9 h THR 225 CO -0.03 0.39 -0.26 0.50 0.37 0.00 0.00 175.52 176.49 3kl9 h LYS 226 N 1.00 0.73 -0.03 6.66 3.64 -0.93 -3.29 116.57 124.36 3kl9 h LYS 226 Ca 0.19 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3kl9 h LYS 226 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3kl9 h LYS 226 CO 0.02 0.98 -0.05 1.19 -2.27 0.00 0.00 179.45 179.32 3kl9 n PHE 227 N -4.26 0.00 -3.97 1.91 0.99 -0.44 -5.00 117.46 106.69 3kl9 n PHE 227 Ca -0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.01 3kl9 n PHE 227 Cb 0.46 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.96 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 1.20 -4.05 -4.86 4.37 4.64 -0.59 -4.93 116.55 112.34 3kl9 n ASP 228 Ca 0.13 -1.21 -0.31 0.00 -1.38 0.00 0.00 54.79 52.02 3kl9 n ASP 228 Cb 0.59 -2.22 -0.00 0.00 -1.04 0.00 0.00 41.12 38.45 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 -6.98 3.68 0.16 -0.67 0.04 -1.26 -4.81 135.00 125.16 3kl9 s PRO 229 Ca 0.44 0.84 0.19 0.00 0.04 0.00 0.00 61.00 62.51 3kl9 s PRO 229 Cb -0.22 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 3kl9 s PRO 229 CO 0.94 -0.50 1.02 0.93 0.04 0.00 0.00 177.00 179.43 3kl9 h GLU 230 N 0.08 0.00 -2.95 4.56 5.08 -1.52 -3.46 114.58 116.37 3kl9 h GLU 230 Ca -0.45 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.77 3kl9 h GLU 230 Cb 1.19 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.19 3kl9 h GLU 230 CO 0.61 0.18 -0.34 0.08 -1.00 0.00 0.00 179.01 178.55 3kl9 s VAL 231 N -3.11 0.00 -0.07 3.13 1.01 -1.22 -4.02 120.40 116.11 3kl9 s VAL 231 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3kl9 s VAL 231 Cb 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 36.01 3kl9 s VAL 231 CO 0.79 -0.00 -0.18 0.12 0.00 0.00 0.00 175.10 175.82 3kl9 s PHE 232 N 0.15 1.95 -0.33 5.22 2.19 -0.20 -1.94 117.98 125.03 3kl9 s PHE 232 Ca -0.00 -0.72 0.01 0.00 0.33 0.00 0.00 56.93 56.55 3kl9 s PHE 232 Cb -0.02 -1.34 0.08 0.00 -1.31 0.00 0.00 43.02 40.43 3kl9 s PHE 232 CO 0.01 -0.30 0.03 -0.51 1.83 0.00 0.00 175.22 176.28 3kl9 s LEU 233 N 0.37 4.39 0.39 6.12 1.02 -0.09 -2.65 118.68 128.24 3kl9 s LEU 233 Ca -0.13 -1.78 -0.22 0.00 0.02 0.00 0.00 54.13 52.02 3kl9 s LEU 233 Cb -0.16 -1.67 -0.11 0.00 0.02 0.00 0.00 46.19 44.28 3kl9 s LEU 233 CO 0.05 -0.34 0.93 0.00 0.02 0.00 0.00 176.35 177.01 3kl9 s ALA 234 N 1.06 3.10 -0.12 4.21 0.00 0.88 -2.00 121.76 128.90 3kl9 s ALA 234 Ca 0.03 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.39 3kl9 s ALA 234 Cb -0.20 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.81 3kl9 s ALA 234 CO -0.05 0.16 -0.13 0.08 0.00 0.00 0.00 175.76 175.81 3kl9 s VAL 235 N -2.03 1.41 -0.04 0.00 1.01 -0.25 0.16 120.40 120.67 3kl9 s VAL 235 Ca 0.58 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 3kl9 s VAL 235 Cb -0.11 -1.32 0.10 0.00 0.00 0.00 0.00 36.38 35.05 3kl9 s VAL 235 CO 0.16 0.43 0.89 -0.62 0.00 0.00 0.00 175.10 175.95 3kl9 s ASP 236 N 1.22 -0.39 0.21 3.32 3.68 -1.21 -4.16 116.67 119.34 3kl9 s ASP 236 Ca -0.02 0.13 0.08 0.00 2.13 0.00 0.00 52.55 54.88 3kl9 s ASP 236 Cb -0.14 0.38 -0.04 0.00 -1.45 0.00 0.00 42.92 41.67 3kl9 s ASP 236 CO -0.05 -0.57 -0.00 0.00 0.13 0.00 0.00 175.17 174.68 3kl9 s SER 238 N -3.27 2.05 0.39 0.00 0.01 -0.38 -4.89 113.70 107.61 3kl9 s SER 238 Ca 0.29 -1.27 -0.27 0.00 1.31 0.00 0.00 55.95 56.01 3kl9 s SER 238 Cb -0.08 -0.03 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 3kl9 s SER 238 CO 0.19 -0.53 1.42 -2.84 0.41 0.00 0.00 173.24 171.89 3kl9 s PRO 239 N -3.86 4.01 -0.13 12.44 0.02 -1.26 -1.00 135.00 145.22 3kl9 s PRO 239 Ca 0.31 2.42 -0.12 0.00 0.02 0.00 0.00 61.00 63.63 3kl9 s PRO 239 Cb 0.06 -2.87 -0.05 0.00 0.02 0.00 0.00 34.50 31.66 3kl9 s PRO 239 CO 0.11 -0.55 0.27 0.00 -0.33 0.00 0.00 177.00 176.50 3kl9 s ALA 240 N -1.17 3.67 -1.87 -1.55 0.00 0.16 -4.58 121.76 116.42 3kl9 s ALA 240 Ca 0.55 -0.48 0.18 0.00 0.00 0.00 0.00 51.96 52.21 3kl9 s ALA 240 Cb -0.44 -2.30 0.05 0.00 0.00 0.00 0.00 23.12 20.44 3kl9 s ALA 240 CO 0.58 0.24 0.97 0.41 0.00 0.00 0.00 175.76 177.96 3kl9 n GLY 241 N 2.94 0.15 0.30 0.00 0.00 -0.76 -4.66 105.19 103.16 3kl9 n GLY 241 Ca -0.14 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 2.59 0.04 1.04 1.61 3.04 -1.49 0.61 116.42 123.85 3kl9 h ASP 242 Ca 0.00 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.97 3kl9 h ASP 242 Cb 0.66 0.23 0.00 0.00 -1.04 0.00 0.00 39.33 39.18 3kl9 h ASP 242 CO 0.00 -0.10 0.00 1.62 -2.04 0.00 0.00 179.24 178.72 3kl9 h VAL 243 N 0.25 0.00 -0.30 4.15 3.04 -1.87 -2.63 116.25 118.89 3kl9 h VAL 243 Ca 0.51 -0.45 -0.13 0.00 -1.01 0.00 0.00 66.70 65.62 3kl9 h VAL 243 Cb 0.98 1.36 -0.07 0.00 -2.01 0.00 0.00 31.29 31.55 3kl9 h VAL 243 CO -0.60 0.00 -0.07 -1.22 -1.01 0.00 0.00 177.57 174.67 3kl9 n TYR 244 N -2.74 0.95 0.00 3.17 0.53 0.21 -4.96 117.16 114.32 3kl9 n TYR 244 Ca 0.02 -1.41 0.00 0.00 -1.02 0.00 0.00 57.90 55.49 3kl9 n TYR 244 Cb 0.31 -0.43 0.00 0.00 -1.03 0.00 0.00 39.34 38.19 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 -1.02 1.93 1.65 2.72 0.00 -0.87 -4.96 105.19 104.64 3kl9 n GLY 245 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.52 -2.93 3.93 -0.02 0.00 -0.82 -4.90 105.19 98.93 3kl9 n GLY 246 Ca 0.00 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 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 -4.15 3.47 0.00 1.61 -2.07 -1.26 -3.54 119.66 113.72 3kl9 s GLN 247 Ca 0.34 -0.49 0.00 0.00 -1.82 0.00 0.00 55.36 53.39 3kl9 s GLN 247 Cb -0.04 -2.94 0.00 0.00 -1.09 0.00 0.00 33.01 28.94 3kl9 s GLN 247 CO 0.26 0.50 0.00 0.41 -1.32 0.00 0.00 175.29 175.15 3kl9 n GLY 248 N -0.41 0.89 3.36 2.60 0.00 -1.26 -2.67 105.19 107.69 3kl9 n GLY 248 Ca -0.06 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.24 3.42 0.12 1.61 2.20 -1.26 -1.82 119.74 123.77 3kl9 s LYS 249 Ca 0.00 -0.63 -0.31 0.00 -0.36 0.00 0.00 55.97 54.67 3kl9 s LYS 249 Cb 0.00 -2.86 -0.10 0.00 -1.51 0.00 0.00 37.83 33.36 3kl9 s LYS 249 CO 0.00 0.01 1.70 0.42 -0.36 0.00 0.00 175.35 177.12 3kl9 s ILE 250 N 0.93 2.67 0.00 5.43 1.09 -1.26 -2.04 121.20 128.02 3kl9 s ILE 250 Ca -0.01 0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.82 3kl9 s ILE 250 Cb -0.15 -3.18 0.00 0.00 -1.06 0.00 0.00 42.46 38.07 3kl9 s ILE 250 CO 0.00 0.01 0.00 0.61 -0.10 0.00 0.00 174.94 175.46 3kl9 n GLY 251 N 4.03 1.23 1.33 6.18 0.00 -1.26 -4.93 105.19 111.77 3kl9 n GLY 251 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 3.80 0.00 1.61 9.92 -0.87 -4.87 116.55 126.14 3kl9 n ASP 252 Ca 0.00 -2.56 0.00 0.00 -0.53 0.00 0.00 54.79 51.70 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 0.36 -1.81 3.80 0.44 0.00 -1.26 -3.78 105.19 102.94 3kl9 n GLY 253 Ca 0.17 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 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 4.07 -0.09 2.61 -1.32 -0.38 -4.62 115.64 115.92 3kl9 s THR 254 Ca 0.00 1.42 -0.20 0.00 -1.21 0.00 0.00 61.69 61.70 3kl9 s THR 254 Cb 0.00 -3.65 -0.04 0.00 -1.51 0.00 0.00 72.50 67.30 3kl9 s THR 254 CO 0.00 -0.15 0.56 -0.76 -2.21 0.00 0.00 174.62 172.05 3kl9 s LEU 255 N -2.95 4.30 -0.53 9.08 1.43 -0.73 -1.00 118.68 128.28 3kl9 s LEU 255 Ca 0.60 0.96 -0.21 0.00 -1.03 0.00 0.00 54.13 54.46 3kl9 s LEU 255 Cb -0.15 -2.83 0.06 0.00 0.03 0.00 0.00 46.19 43.29 3kl9 s LEU 255 CO 0.20 -0.03 0.74 -0.63 0.23 0.00 0.00 176.35 176.86 3kl9 s ILE 256 N 0.60 4.70 -0.76 -0.59 -1.09 -0.11 -4.15 121.20 119.80 3kl9 s ILE 256 Ca 0.30 -0.30 -0.20 0.00 -2.23 0.00 0.00 60.65 58.22 3kl9 s ILE 256 Cb -0.16 -4.40 0.11 0.00 -1.58 0.00 0.00 42.46 36.42 3kl9 s ILE 256 CO 0.13 -0.95 0.98 -0.60 -1.23 0.00 0.00 174.94 173.27 3kl9 s ARG 257 N 3.09 3.31 0.04 2.79 3.52 -1.26 -1.29 118.95 129.16 3kl9 s ARG 257 Ca 0.20 -1.35 0.06 0.00 -0.13 0.00 0.00 55.73 54.50 3kl9 s ARG 257 Cb -0.18 -4.53 -0.23 0.00 -1.56 0.00 0.00 34.95 28.45 3kl9 s ARG 257 CO 0.13 -1.74 0.98 0.27 -0.81 0.00 0.00 175.30 174.13 3kl9 h PHE 258 N 9.15 0.13 -3.88 5.12 -5.15 -1.93 -3.41 116.94 116.96 3kl9 h PHE 258 Ca -0.09 -0.09 -0.29 0.00 -0.20 0.00 0.00 57.97 57.30 3kl9 h PHE 258 Cb 1.05 -0.01 -0.27 0.00 0.22 0.00 0.00 35.95 36.95 3kl9 h PHE 258 CO 1.03 1.11 -0.74 -0.47 -2.00 0.00 0.00 178.31 177.23 3kl9 s TYR 259 N -2.65 0.39 0.11 6.09 6.14 -1.26 -2.44 117.35 123.73 3kl9 s TYR 259 Ca -0.03 -0.17 -0.15 0.00 0.64 0.00 0.00 57.07 57.36 3kl9 s TYR 259 Cb 0.08 -0.25 0.03 0.00 0.42 0.00 0.00 41.96 42.25 3kl9 s TYR 259 CO 0.83 -0.03 0.37 0.16 0.64 0.00 0.00 175.55 177.52 3kl9 s ASP 260 N -0.42 -0.18 0.63 4.32 1.47 -0.77 -0.11 116.67 121.62 3kl9 s ASP 260 Ca -0.02 -0.34 0.26 0.00 1.18 0.00 0.00 52.55 53.63 3kl9 s ASP 260 Cb -0.03 0.45 1.35 0.00 -0.34 0.00 0.00 42.92 44.34 3kl9 s ASP 260 CO -0.00 -0.81 1.77 -0.65 0.68 0.00 0.00 175.17 176.16 3kl9 h PRO 261 N 2.49 0.00 -0.05 2.11 0.11 -1.80 -1.72 132.00 133.14 3kl9 h PRO 261 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3kl9 h PRO 261 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kl9 h PRO 261 CO 0.48 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.68 3kl9 n GLY 262 N -1.39 -0.01 3.59 -0.55 0.00 -1.26 -5.03 105.19 100.54 3kl9 n GLY 262 Ca 0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.68 -0.86 -0.14 1.61 5.65 -0.65 -4.50 115.29 115.72 3kl9 s HIS 263 Ca 0.10 1.91 -0.01 0.00 0.25 0.00 0.00 55.06 57.31 3kl9 s HIS 263 Cb 0.06 0.39 -0.01 0.00 -1.18 0.00 0.00 32.58 31.84 3kl9 s HIS 263 CO 0.09 -0.42 -0.11 -0.51 -0.65 0.00 0.00 174.74 173.14 3kl9 s LEU 264 N 0.87 2.80 -0.08 8.88 1.43 -1.26 -1.84 118.68 129.48 3kl9 s LEU 264 Ca -0.04 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 3kl9 s LEU 264 Cb -0.05 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 3kl9 s LEU 264 CO -0.07 0.14 1.58 -0.22 0.23 0.00 0.00 176.35 178.00 3kl9 s LEU 265 N 0.50 4.28 0.41 1.79 2.96 -1.02 -4.94 118.68 122.66 3kl9 s LEU 265 Ca -0.08 2.11 -0.22 0.00 -0.22 0.00 0.00 54.13 55.73 3kl9 s LEU 265 Cb -0.15 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 3kl9 s LEU 265 CO 0.04 -0.90 0.94 -0.76 -1.32 0.00 0.00 176.35 174.35 3kl9 s LEU 266 N 3.96 4.02 0.24 -0.68 1.43 -1.26 -4.86 118.68 121.52 3kl9 s LEU 266 Ca 0.70 1.70 -0.05 0.00 -1.03 0.00 0.00 54.13 55.44 3kl9 s LEU 266 Cb -0.31 -4.42 0.43 0.00 0.03 0.00 0.00 46.19 41.92 3kl9 s LEU 266 CO 0.27 -0.30 1.71 -0.65 0.23 0.00 0.00 176.35 177.61 3kl9 h PRO 267 N 2.16 0.36 0.02 1.29 0.11 -1.94 0.38 132.00 134.38 3kl9 h PRO 267 Ca -0.49 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3kl9 h PRO 267 Cb 1.18 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3kl9 h PRO 267 CO 0.62 0.24 -0.12 0.78 -0.21 0.00 0.00 178.00 179.30 3kl9 h GLY 268 N 0.37 -0.17 1.01 -0.55 0.00 -1.89 -0.57 103.07 101.27 3kl9 h GLY 268 Ca 0.40 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.87 3kl9 h GLY 268 CO -0.43 -0.13 0.50 1.98 0.00 0.00 0.00 176.54 178.47 3kl9 h MET 269 N -0.22 1.12 -0.71 4.80 -1.53 -1.61 -2.41 114.93 114.36 3kl9 h MET 269 Ca 0.04 -0.10 0.00 0.00 -3.44 0.00 0.00 59.70 56.20 3kl9 h MET 269 Cb 0.26 -0.24 -0.04 0.00 -0.55 0.00 0.00 31.60 31.04 3kl9 h MET 269 CO -0.10 0.78 0.46 -0.22 0.14 0.00 0.00 176.91 177.97 3kl9 h LYS 270 N 1.13 0.95 -0.32 0.39 3.64 -0.57 0.22 116.57 122.02 3kl9 h LYS 270 Ca 0.30 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3kl9 h LYS 270 Cb -0.05 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 3kl9 h LYS 270 CO -0.06 0.65 0.13 -0.44 -2.27 0.00 0.00 179.45 177.46 3kl9 h ASP 271 N 0.97 0.17 -0.67 4.20 3.32 -0.94 -1.26 116.42 122.20 3kl9 h ASP 271 Ca 0.26 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 3kl9 h ASP 271 Cb -0.08 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3kl9 h ASP 271 CO -0.05 0.13 0.13 0.15 -1.72 0.00 0.00 179.24 177.88 3kl9 h PHE 272 N 0.28 1.16 0.34 4.55 3.57 -0.89 0.45 116.94 126.41 3kl9 h PHE 272 Ca 0.14 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3kl9 h PHE 272 Cb 0.08 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.51 3kl9 h PHE 272 CO -0.12 0.96 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.69 3kl9 h LEU 273 N 1.02 -0.39 -1.09 0.59 3.38 -0.83 -1.75 115.31 116.24 3kl9 h LEU 273 Ca 0.21 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3kl9 h LEU 273 Cb 0.41 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3kl9 h LEU 273 CO 0.01 -0.11 0.21 -0.07 0.09 0.00 0.00 178.44 178.57 3kl9 h LEU 274 N -0.67 0.78 0.03 1.67 3.38 -1.08 -0.95 115.31 118.47 3kl9 h LEU 274 Ca -0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kl9 h LEU 274 Cb 0.47 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kl9 h LEU 274 CO 0.08 0.72 -0.01 0.74 0.09 0.00 0.00 178.44 180.05 3kl9 h THR 275 N 0.84 1.15 -0.12 0.22 2.02 -0.95 -2.55 112.91 113.52 3kl9 h THR 275 Ca 0.20 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3kl9 h THR 275 Cb 0.20 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3kl9 h THR 275 CO -0.01 0.15 0.08 0.74 0.37 0.00 0.00 175.52 176.84 3kl9 h THR 276 N -0.29 1.04 -0.96 3.16 2.02 -1.02 -1.37 112.91 115.49 3kl9 h THR 276 Ca -0.00 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.14 3kl9 h THR 276 Cb 0.27 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 3kl9 h THR 276 CO 0.01 0.04 0.63 0.00 0.37 0.00 0.00 175.52 176.56 3kl9 h ALA 277 N 1.04 1.29 0.32 6.16 0.00 -1.22 0.26 119.26 127.12 3kl9 h ALA 277 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kl9 h ALA 277 Cb -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3kl9 h ALA 277 CO -0.01 0.48 -0.16 1.49 0.00 0.00 0.00 179.25 181.06 3kl9 h GLU 278 N 1.19 -0.42 -0.35 0.00 4.57 -1.30 -0.47 114.58 117.81 3kl9 h GLU 278 Ca 0.39 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.67 3kl9 h GLU 278 Cb 0.04 0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 28.66 3kl9 h GLU 278 CO -0.14 -0.17 -0.09 0.93 -1.18 0.00 0.00 179.01 178.37 3kl9 h GLU 279 N -0.62 -0.01 -0.65 1.92 5.08 -0.75 -2.65 114.58 116.90 3kl9 h GLU 279 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kl9 h GLU 279 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3kl9 h GLU 279 CO 0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 3kl9 n ALA 280 N -2.63 2.98 -3.37 3.43 0.00 0.88 -4.92 120.51 116.88 3kl9 n ALA 280 Ca 0.01 -0.91 -0.24 0.00 0.00 0.00 0.00 53.44 52.30 3kl9 n ALA 280 Cb 0.20 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 0.60 -0.51 3.74 0.00 0.00 -0.83 -4.95 105.19 103.23 3kl9 n GLY 281 Ca 0.14 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.13 4.29 -0.23 -0.61 -1.09 -0.25 -5.04 121.20 115.15 3kl9 s ILE 282 Ca 0.43 2.07 -0.27 0.00 -2.23 0.00 0.00 60.65 60.65 3kl9 s ILE 282 Cb -0.21 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 3kl9 s ILE 282 CO 0.54 0.40 0.94 -0.75 -1.23 0.00 0.00 174.94 174.84 3kl9 s LYS 283 N -0.54 4.24 0.08 2.79 2.20 -1.26 -4.80 119.74 122.44 3kl9 s LYS 283 Ca 0.44 1.17 0.02 0.00 -0.36 0.00 0.00 55.97 57.24 3kl9 s LYS 283 Cb -0.25 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 3kl9 s LYS 283 CO 0.31 -0.56 -0.07 1.52 -0.36 0.00 0.00 175.35 176.20 3kl9 s TYR 284 N 2.97 0.81 -0.01 4.03 -0.85 -1.26 -1.24 117.35 121.80 3kl9 s TYR 284 Ca 0.40 -0.84 0.02 0.00 -0.52 0.00 0.00 57.07 56.13 3kl9 s TYR 284 Cb -0.15 -0.48 -0.00 0.00 0.38 0.00 0.00 41.96 41.71 3kl9 s TYR 284 CO 0.07 -0.15 -0.06 1.14 -1.52 0.00 0.00 175.55 175.03 3kl9 s GLN 285 N -3.37 0.52 0.48 -3.49 -2.07 -0.17 -4.88 119.66 106.68 3kl9 s GLN 285 Ca 0.07 -0.19 -0.23 0.00 -1.82 0.00 0.00 55.36 53.19 3kl9 s GLN 285 Cb 0.02 -0.51 -0.07 0.00 -1.09 0.00 0.00 33.01 31.36 3kl9 s GLN 285 CO -0.04 0.10 1.26 0.71 -1.32 0.00 0.00 175.29 175.99 3kl9 s TYR 286 N 0.02 2.67 -0.13 9.60 1.51 -1.26 -0.93 117.35 128.82 3kl9 s TYR 286 Ca 0.00 1.45 -0.05 0.00 -1.01 0.00 0.00 57.07 57.46 3kl9 s TYR 286 Cb -0.04 -3.58 0.06 0.00 -0.11 0.00 0.00 41.96 38.29 3kl9 s TYR 286 CO -0.00 -2.10 0.28 -0.47 -1.11 0.00 0.00 175.55 172.15 3kl9 s TYR 287 N -1.40 -0.43 -0.50 2.71 5.04 -0.41 -4.80 117.35 117.56 3kl9 s TYR 287 Ca 0.65 0.97 -0.14 0.00 -2.44 0.00 0.00 57.07 56.11 3kl9 s TYR 287 Cb -0.35 0.04 0.11 0.00 0.35 0.00 0.00 41.96 42.11 3kl9 s TYR 287 CO 0.42 -0.32 0.42 0.00 -1.34 0.00 0.00 175.55 174.73 3kl9 s GLY 289 N 3.04 2.75 -0.00 0.00 0.00 0.84 -4.96 107.32 108.99 3kl9 s GLY 289 Ca 0.04 0.84 0.10 0.00 0.00 0.00 0.00 44.72 45.71 3kl9 s GLY 289 CO 0.03 1.29 0.43 0.28 0.00 0.00 0.00 173.10 175.12 3kl9 n LYS 290 N -0.38 3.26 -4.54 2.90 5.02 -1.26 -4.19 118.16 118.96 3kl9 n LYS 290 Ca 0.07 -0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.09 3kl9 n LYS 290 Cb 0.49 -1.02 -0.09 0.00 -0.02 0.00 0.00 35.03 34.39 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 -2.10 2.47 0.73 0.72 0.00 -1.26 -4.70 107.32 103.18 3kl9 s GLY 291 Ca 0.03 -1.51 -0.04 0.00 0.00 0.00 0.00 44.72 43.21 3kl9 s GLY 291 CO 0.43 -1.92 1.01 -0.32 0.00 0.00 0.00 173.10 172.30 3kl9 s GLY 292 N -3.62 1.76 0.09 0.20 0.00 -1.26 -4.54 107.32 99.95 3kl9 s GLY 292 Ca 0.27 -1.45 -0.10 0.00 0.00 0.00 0.00 44.72 43.43 3kl9 s GLY 292 CO 0.13 -0.93 0.23 -0.51 0.00 0.00 0.00 173.10 172.02 3kl9 s THR 293 N -3.21 0.13 0.53 0.90 -4.23 -1.26 -5.03 115.64 103.47 3kl9 s THR 293 Ca 0.65 -1.05 0.48 0.00 -1.18 0.00 0.00 61.69 60.58 3kl9 s THR 293 Cb -0.07 -1.28 0.70 0.00 1.34 0.00 0.00 72.50 73.19 3kl9 s THR 293 CO 0.45 -0.58 1.53 0.47 -0.54 0.00 0.00 174.62 175.95 3kl9 n ASP 294 N -0.05 0.03 -0.30 3.99 8.00 -1.26 -0.38 116.55 126.58 3kl9 n ASP 294 Ca -0.15 1.03 0.07 0.00 0.71 0.00 0.00 54.79 56.44 3kl9 n ASP 294 Cb 0.62 -0.51 0.29 0.00 -0.02 0.00 0.00 41.12 41.50 3kl9 n ASP 294 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kl9 h ALA 295 N 1.05 1.62 -0.72 2.24 0.00 -1.96 -0.67 119.26 120.82 3kl9 h ALA 295 Ca 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.83 3kl9 h ALA 295 Cb 3.61 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 21.16 3kl9 h ALA 295 CO -0.07 0.19 0.46 0.78 0.00 0.00 0.00 179.25 180.61 3kl9 h GLY 296 N 0.91 1.03 0.06 0.00 0.00 -0.94 -1.60 103.07 102.52 3kl9 h GLY 296 Ca 0.42 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 3kl9 h GLY 296 CO -0.19 0.39 -0.30 0.00 0.00 0.00 0.00 176.54 176.44 3kl9 h ALA 297 N 1.52 0.04 -0.59 3.60 0.00 -1.62 -3.40 119.26 118.80 3kl9 h ALA 297 Ca 0.26 -0.64 0.05 0.00 0.00 0.00 0.00 54.91 54.58 3kl9 h ALA 297 Cb -0.08 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3kl9 h ALA 297 CO -0.05 0.16 0.32 0.00 0.00 0.00 0.00 179.25 179.68 3kl9 h ALA 298 N -0.08 0.78 0.00 0.00 0.00 -0.93 -2.70 119.26 116.33 3kl9 h ALA 298 Ca -0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kl9 h ALA 298 Cb 1.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kl9 h ALA 298 CO -0.02 -0.02 -0.02 1.12 0.00 0.00 0.00 179.25 180.31 3kl9 h HIS 299 N 0.60 0.00 -0.01 0.00 2.07 -1.45 -1.68 115.15 114.67 3kl9 h HIS 299 Ca 0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.78 3kl9 h HIS 299 Cb 0.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.14 3kl9 h HIS 299 CO -0.09 0.02 -0.10 1.28 -3.07 0.00 0.00 177.93 175.97 3kl9 n LEU 300 N -3.18 0.90 -4.90 6.12 4.77 -1.02 -1.26 117.00 118.43 3kl9 n LEU 300 Ca -0.01 -0.23 -0.29 0.00 -0.03 0.00 0.00 56.01 55.45 3kl9 n LEU 300 Cb 0.20 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3kl9 n LEU 300 CO 0.25 0.16 0.25 -0.54 -1.33 0.00 0.00 177.39 176.17 3kl9 s LYS 301 N -2.27 3.66 4.56 3.23 -0.14 -0.63 -4.72 119.74 123.44 3kl9 s LYS 301 Ca 0.33 0.10 0.00 0.00 -1.36 0.00 0.00 55.97 55.04 3kl9 s LYS 301 Cb 0.20 -2.60 0.00 0.00 -1.68 0.00 0.00 37.83 33.75 3kl9 s LYS 301 CO 0.43 0.17 0.00 0.09 -0.76 0.00 0.00 175.35 175.28 3kl9 n ASN 302 N -0.97 0.00 -0.01 2.83 5.03 -1.26 -1.85 115.26 119.02 3kl9 n ASN 302 Ca -0.01 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.60 3kl9 n ASN 302 Cb 0.54 0.00 0.89 0.00 -1.02 0.00 0.00 39.78 40.19 3kl9 n ASN 302 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kl9 n GLY 303 N 0.00 -1.04 0.00 7.41 0.00 -1.26 -4.96 105.19 105.34 3kl9 n GLY 303 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.07 2.85 2.63 -0.02 0.00 -0.77 -5.11 105.19 105.84 3kl9 n GLY 304 Ca 0.22 -1.45 -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 -0.50 0.27 0.20 1.61 1.01 -0.39 -4.96 120.40 117.64 3kl9 s VAL 305 Ca 0.00 -0.83 -0.32 0.00 0.00 0.00 0.00 61.98 60.83 3kl9 s VAL 305 Cb 0.00 -1.12 -0.14 0.00 0.00 0.00 0.00 36.38 35.12 3kl9 s VAL 305 CO 0.00 -0.58 1.37 -2.65 0.00 0.00 0.00 175.10 173.24 3kl9 n PRO 306 N 5.12 1.79 -4.05 2.72 -0.02 -1.26 -4.15 135.00 135.14 3kl9 n PRO 306 Ca -0.05 0.64 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 3kl9 n PRO 306 Cb 0.44 -2.27 -0.09 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.34 0.29 0.00 2.55 0.01 -1.26 -1.03 113.70 114.60 3kl9 s SER 307 Ca 0.72 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.98 3kl9 s SER 307 Cb -0.72 0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.80 3kl9 s SER 307 CO 0.48 -0.72 0.00 0.35 0.41 0.00 0.00 173.24 173.76 3kl9 n THR 308 N -0.05 0.00 -4.19 1.44 -2.24 -1.09 -4.67 114.28 103.49 3kl9 n THR 308 Ca -0.10 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 3kl9 n THR 308 Cb 0.63 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.42 1.51 -0.56 4.28 2.01 -1.26 -0.08 115.64 119.13 3kl9 s THR 309 Ca 0.00 -0.62 -0.28 0.00 0.31 0.00 0.00 61.69 61.10 3kl9 s THR 309 Cb 0.00 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 71.13 3kl9 s THR 309 CO 0.00 0.45 1.17 -0.63 -0.69 0.00 0.00 174.62 174.91 3kl9 s ILE 310 N 1.30 4.07 0.41 1.82 -1.09 0.12 -4.63 121.20 123.21 3kl9 s ILE 310 Ca 0.00 0.93 0.04 0.00 -2.23 0.00 0.00 60.65 59.39 3kl9 s ILE 310 Cb -0.14 -4.69 -0.04 0.00 -1.58 0.00 0.00 42.46 36.01 3kl9 s ILE 310 CO -0.07 -1.27 0.06 -0.83 -1.23 0.00 0.00 174.94 171.60 3kl9 s GLY 311 N 2.85 2.56 -0.10 6.18 0.00 -1.26 -3.28 107.32 114.27 3kl9 s GLY 311 Ca 0.43 -1.39 -0.08 0.00 0.00 0.00 0.00 44.72 43.67 3kl9 s GLY 311 CO 0.26 -1.97 0.27 0.14 0.00 0.00 0.00 173.10 171.81 3kl9 s VAL 312 N -3.07 -0.01 0.40 1.40 1.01 -1.24 -1.77 120.40 117.12 3kl9 s VAL 312 Ca 0.24 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 3kl9 s VAL 312 Cb 0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 3kl9 s VAL 312 CO 0.12 0.01 0.68 0.00 0.00 0.00 0.00 175.10 175.91 3kl9 s ALA 314 N -2.44 -0.62 0.11 0.00 0.00 -0.17 -4.78 121.76 113.86 3kl9 s ALA 314 Ca 0.45 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 52.37 3kl9 s ALA 314 Cb -0.10 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 3kl9 s ALA 314 CO 0.38 -0.23 0.74 1.03 0.00 0.00 0.00 175.76 177.67 3kl9 s ARG 315 N -1.24 4.49 -1.08 0.00 0.52 0.53 0.35 118.95 122.53 3kl9 s ARG 315 Ca -0.13 1.06 -0.01 0.00 -0.52 0.00 0.00 55.73 56.13 3kl9 s ARG 315 Cb -0.06 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.12 3kl9 s ARG 315 CO 0.03 0.49 0.91 0.66 0.02 0.00 0.00 175.30 177.40 3kl9 n TYR 316 N 2.01 -2.03 -0.75 -0.53 4.01 -1.26 -1.32 117.16 117.29 3kl9 n TYR 316 Ca -0.05 0.84 -0.32 0.00 -0.16 0.00 0.00 57.90 58.20 3kl9 n TYR 316 Cb 0.49 -4.67 0.16 0.00 -0.31 0.00 0.00 39.34 35.01 3kl9 n TYR 316 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3kl9 n ILE 317 N -3.92 0.26 -3.54 -0.72 0.13 -1.26 -3.73 119.36 106.58 3kl9 n ILE 317 Ca -0.21 -0.06 -0.22 0.00 -1.10 0.00 0.00 62.75 61.17 3kl9 n ILE 317 Cb 0.63 -0.96 0.08 0.00 -0.84 0.00 0.00 39.64 38.55 3kl9 n ILE 317 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 3kl9 n HIS 318 N -4.03 -2.69 -4.00 9.51 8.25 -1.26 -4.99 115.22 116.01 3kl9 n HIS 318 Ca 0.11 0.98 -0.13 0.00 -0.26 0.00 0.00 57.72 58.43 3kl9 n HIS 318 Cb 0.52 -5.00 -0.02 0.00 1.12 0.00 0.00 29.99 26.61 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 -2.98 -1.31 0.16 0.41 3.41 -1.24 -4.73 113.62 107.33 3kl9 n SER 319 Ca -0.06 -2.72 0.13 0.00 -0.26 0.00 0.00 58.87 55.96 3kl9 n SER 319 Cb 0.58 2.42 0.38 0.00 -0.26 0.00 0.00 64.21 67.34 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 1.93 0.00 -2.82 7.33 3.86 -1.87 -3.39 115.15 120.19 3kl9 h HIS 320 Ca -0.25 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.35 3kl9 h HIS 320 Cb 1.10 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.16 3kl9 h HIS 320 CO 0.00 0.00 -0.75 -0.65 0.86 0.00 0.00 177.93 177.39 3kl9 s GLN 321 N -3.23 1.69 -0.04 2.45 -1.52 -1.26 -3.45 119.66 114.30 3kl9 s GLN 321 Ca 0.08 -2.65 -0.14 0.00 -1.95 0.00 0.00 55.36 50.69 3kl9 s GLN 321 Cb 0.09 -2.51 -0.05 0.00 -0.22 0.00 0.00 33.01 30.32 3kl9 s GLN 321 CO 0.58 -1.30 0.38 0.99 -0.25 0.00 0.00 175.29 175.70 3kl9 s THR 322 N -0.57 5.12 -0.07 -0.19 2.01 0.11 -4.70 115.64 117.36 3kl9 s THR 322 Ca 0.26 0.77 0.04 0.00 0.31 0.00 0.00 61.69 63.07 3kl9 s THR 322 Cb -0.06 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.77 3kl9 s THR 322 CO -0.14 0.53 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.90 3kl9 s LEU 323 N -0.66 1.94 0.09 4.42 0.20 -0.43 -1.36 118.68 122.88 3kl9 s LEU 323 Ca 0.22 -0.44 -0.25 0.00 0.69 0.00 0.00 54.13 54.35 3kl9 s LEU 323 Cb -0.16 -1.17 0.08 0.00 -0.43 0.00 0.00 46.19 44.51 3kl9 s LEU 323 CO 0.11 0.14 0.67 -0.72 -0.29 0.00 0.00 176.35 176.26 3kl9 s TYR 324 N 0.27 -0.52 -0.16 5.38 -0.85 -0.89 -0.35 117.35 120.23 3kl9 s TYR 324 Ca -0.12 0.44 -0.12 0.00 -0.52 0.00 0.00 57.07 56.75 3kl9 s TYR 324 Cb -0.15 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.67 3kl9 s TYR 324 CO 0.05 -0.75 0.23 0.00 -1.52 0.00 0.00 175.55 173.56 3kl9 s ALA 325 N -3.19 3.66 0.28 9.51 0.00 -1.26 -0.71 121.76 130.06 3kl9 s ALA 325 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 3kl9 s ALA 325 Cb -0.01 -2.27 0.39 0.00 0.00 0.00 0.00 23.12 21.23 3kl9 s ALA 325 CO -0.08 0.20 1.85 0.52 0.00 0.00 0.00 175.76 178.25 3kl9 h MET 326 N 6.36 0.92 -0.68 0.00 2.86 -1.82 -2.84 114.93 119.72 3kl9 h MET 326 Ca -0.43 -0.15 0.11 0.00 -2.06 0.00 0.00 59.70 57.17 3kl9 h MET 326 Cb 1.17 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 32.59 3kl9 h MET 326 CO 0.73 0.76 0.26 0.22 1.06 0.00 0.00 176.91 179.94 3kl9 h ASP 327 N 0.90 0.25 -0.59 1.22 3.58 -1.94 -0.75 116.42 119.09 3kl9 h ASP 327 Ca 0.21 0.09 0.06 0.00 0.42 0.00 0.00 57.03 57.81 3kl9 h ASP 327 Cb 0.20 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.26 3kl9 h ASP 327 CO -0.02 0.13 0.28 0.44 -2.88 0.00 0.00 179.24 177.19 3kl9 h ASP 328 N 0.43 0.38 -0.58 2.28 3.32 -1.84 -1.69 116.42 118.72 3kl9 h ASP 328 Ca 0.35 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.50 3kl9 h ASP 328 Cb 0.48 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 3kl9 h ASP 328 CO -0.35 0.25 0.29 0.15 -1.72 0.00 0.00 179.24 177.87 3kl9 h PHE 329 N 0.53 0.54 -0.45 4.55 3.57 -1.12 -0.64 116.94 123.91 3kl9 h PHE 329 Ca 0.27 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 3kl9 h PHE 329 Cb 0.22 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3kl9 h PHE 329 CO -0.11 0.24 0.09 -0.07 -2.23 0.00 0.00 178.31 176.23 3kl9 h LEU 330 N 0.55 0.64 -0.14 0.59 3.38 -0.86 -0.52 115.31 118.95 3kl9 h LEU 330 Ca 0.26 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3kl9 h LEU 330 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3kl9 h LEU 330 CO -0.19 0.66 0.02 -0.33 0.09 0.00 0.00 178.44 178.69 3kl9 h GLU 331 N 0.67 0.24 -0.66 1.13 4.39 -0.49 -2.22 114.58 117.63 3kl9 h GLU 331 Ca 0.15 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3kl9 h GLU 331 Cb 0.29 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3kl9 h GLU 331 CO 0.00 0.43 0.27 0.00 -1.16 0.00 0.00 179.01 178.56 3kl9 h ALA 332 N 0.79 0.86 0.13 3.43 0.00 -0.86 -1.73 119.26 121.89 3kl9 h ALA 332 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kl9 h ALA 332 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kl9 h ALA 332 CO 0.00 0.48 -0.06 0.37 0.00 0.00 0.00 179.25 180.04 3kl9 h GLN 333 N 0.94 -0.16 -0.65 0.00 5.75 -1.12 0.10 115.11 119.97 3kl9 h GLN 333 Ca 0.22 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.82 3kl9 h GLN 333 Cb 0.20 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 3kl9 h GLN 333 CO -0.02 -0.07 0.43 0.00 -2.65 0.00 0.00 178.83 176.52 3kl9 h ALA 334 N 0.65 1.91 -0.17 3.38 0.00 -1.31 -0.37 119.26 123.36 3kl9 h ALA 334 Ca -0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3kl9 h ALA 334 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kl9 h ALA 334 CO 0.03 -0.05 -0.48 0.35 0.00 0.00 0.00 179.25 179.10 3kl9 h PHE 335 N 0.53 0.81 -0.76 0.00 -0.00 -0.89 -2.27 116.94 114.35 3kl9 h PHE 335 Ca 0.30 -0.32 -0.06 0.00 -0.00 0.00 0.00 57.97 57.89 3kl9 h PHE 335 Cb 0.47 -0.14 -0.03 0.00 -0.00 0.00 0.00 35.95 36.25 3kl9 h PHE 335 CO -0.00 1.10 0.25 1.25 -0.00 0.00 0.00 178.31 180.91 3kl9 h LEU 336 N 0.28 1.09 0.35 0.59 6.46 -0.05 -1.11 115.31 122.92 3kl9 h LEU 336 Ca -0.01 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 3kl9 h LEU 336 Cb 1.10 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 3kl9 h LEU 336 CO 0.10 1.00 -0.17 1.56 -0.62 0.00 0.00 178.44 180.32 3kl9 h GLN 337 N 1.12 -0.45 -0.49 1.25 4.20 -1.09 -2.28 115.11 117.37 3kl9 h GLN 337 Ca 0.25 0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.04 3kl9 h GLN 337 Cb 0.29 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 3kl9 h GLN 337 CO -0.01 -0.28 0.22 0.00 -0.67 0.00 0.00 178.83 178.09 3kl9 h ALA 338 N 0.14 0.61 -0.11 3.87 0.00 -1.24 -2.19 119.26 120.34 3kl9 h ALA 338 Ca -0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kl9 h ALA 338 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kl9 h ALA 338 CO 0.08 -0.14 0.01 -0.07 0.00 0.00 0.00 179.25 179.13 3kl9 h LEU 339 N 0.44 -0.02 -0.48 0.00 3.38 -1.09 -2.22 115.31 115.32 3kl9 h LEU 339 Ca 0.22 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 58.04 3kl9 h LEU 339 Cb 0.16 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3kl9 h LEU 339 CO -0.18 0.01 -0.70 -0.37 0.09 0.00 0.00 178.44 177.30 3kl9 h VAL 340 N 0.06 1.40 0.00 1.22 -1.51 -1.16 -1.81 116.25 114.44 3kl9 h VAL 340 Ca 0.05 -2.14 -0.03 0.00 -1.23 0.00 0.00 66.70 63.35 3kl9 h VAL 340 Cb 0.05 2.11 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 3kl9 h VAL 340 CO -0.08 0.64 -0.16 0.11 -1.23 0.00 0.00 177.57 176.85 3kl9 h LYS 341 N 0.22 0.00 0.00 5.19 1.57 -1.34 -2.95 116.57 119.27 3kl9 h LYS 341 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kl9 h LYS 341 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3kl9 h LYS 341 CO 0.11 0.16 -0.90 1.17 -0.57 0.00 0.00 179.45 179.42 3kl9 n LYS 342 N -4.10 0.38 -2.64 3.15 4.81 -0.84 -4.71 118.16 114.20 3kl9 n LYS 342 Ca -0.02 0.06 -0.43 0.00 -0.87 0.00 0.00 58.31 57.04 3kl9 n LYS 342 Cb 0.23 -1.68 -0.02 0.00 0.02 0.00 0.00 35.03 33.58 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 -4.41 4.01 0.00 3.14 1.43 -0.72 -4.72 118.68 117.40 3kl9 s LEU 343 Ca 0.03 1.22 -0.01 0.00 -1.03 0.00 0.00 54.13 54.34 3kl9 s LEU 343 Cb 0.13 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.81 3kl9 s LEU 343 CO 0.77 -0.79 0.18 -0.90 0.23 0.00 0.00 176.35 175.84 3kl9 n ASP 344 N 6.64 -0.50 -0.07 2.29 3.85 -1.26 -3.50 116.55 124.00 3kl9 n ASP 344 Ca 0.12 -1.63 -0.08 0.00 -0.71 0.00 0.00 54.79 52.49 3kl9 n ASP 344 Cb 0.47 0.92 -0.01 0.00 -1.35 0.00 0.00 41.12 41.14 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 -0.22 0.12 0.11 9.65 -1.85 -1.24 114.38 120.95 3kl9 h ARG 345 Ca -0.10 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.82 3kl9 h ARG 345 Cb 0.41 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 3kl9 h ARG 345 CO 0.13 -0.15 -0.24 0.77 2.80 0.00 0.00 179.97 183.29 3kl9 h SER 346 N -0.23 -0.66 0.60 -3.80 0.02 -1.95 -1.93 113.55 105.60 3kl9 h SER 346 Ca 0.15 0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 61.04 3kl9 h SER 346 Cb 0.47 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 3kl9 h SER 346 CO -0.43 -0.33 -0.66 0.71 -1.14 0.00 0.00 176.83 174.99 3kl9 h THR 347 N -0.44 1.46 -0.28 -2.27 1.35 -1.82 -1.70 112.91 109.21 3kl9 h THR 347 Ca 0.03 -2.22 -0.17 0.00 -0.55 0.00 0.00 66.41 63.50 3kl9 h THR 347 Cb 0.46 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3kl9 h THR 347 CO -0.13 0.64 -0.50 -0.37 -0.25 0.00 0.00 175.52 174.91 3kl9 h VAL 348 N 0.04 1.28 -0.84 6.82 -1.51 -1.17 -1.08 116.25 119.80 3kl9 h VAL 348 Ca -0.01 -1.69 0.04 0.00 -1.23 0.00 0.00 66.70 63.81 3kl9 h VAL 348 Cb 1.17 1.66 -0.05 0.00 -2.13 0.00 0.00 31.29 31.93 3kl9 h VAL 348 CO 0.09 0.55 0.53 0.44 -1.23 0.00 0.00 177.57 177.95 3kl9 h ASP 349 N 0.59 0.88 -0.59 4.19 5.19 -1.27 0.54 116.42 125.95 3kl9 h ASP 349 Ca 0.02 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.38 3kl9 h ASP 349 Cb 1.11 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.39 3kl9 h ASP 349 CO 0.11 0.60 0.21 0.25 -3.12 0.00 0.00 179.24 177.30 3kl9 h LEU 350 N 1.03 0.87 -0.53 1.55 6.46 -1.19 -1.29 115.31 122.21 3kl9 h LEU 350 Ca 0.34 -0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 3kl9 h LEU 350 Cb 0.03 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 3kl9 h LEU 350 CO -0.12 0.81 0.12 0.40 -0.62 0.00 0.00 178.44 179.02 3kl9 h ILE 351 N 0.92 1.24 -0.54 4.05 2.04 -0.26 -2.88 117.51 122.09 3kl9 h ILE 351 Ca 0.21 -0.88 -0.25 0.00 1.00 0.00 0.00 64.86 64.95 3kl9 h ILE 351 Cb 0.24 0.80 -0.15 0.00 -0.74 0.00 0.00 36.82 36.97 3kl9 h ILE 351 CO -0.01 0.32 0.31 0.29 0.00 0.00 0.00 178.15 179.06 3kl9 n LYS 352 N -4.42 2.07 -2.11 2.37 5.02 0.09 -4.31 118.16 116.88 3kl9 n LYS 352 Ca 0.02 -1.81 -0.36 0.00 -2.02 0.00 0.00 58.31 54.14 3kl9 n LYS 352 Cb 0.23 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.98 1.78 -0.87 2.13 2.46 -0.53 -4.98 115.29 113.31 3kl9 s HIS 353 Ca 0.34 0.61 0.07 0.00 0.47 0.00 0.00 55.06 56.55 3kl9 s HIS 353 Cb 0.28 -4.15 0.06 0.00 -0.13 0.00 0.00 32.58 28.63 3kl9 s HIS 353 CO 0.07 -2.14 0.72 0.66 -2.47 0.00 0.00 174.74 171.58