#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 0.57 -0.75 -4.42 6.46 -2.04 -1.69 115.31 113.44 3kl9 h LEU 4 Ca 0.00 -0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.75 3kl9 h LEU 4 Cb 0.00 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.73 3kl9 h LEU 4 CO 0.00 0.47 0.44 0.15 -0.62 0.00 0.00 178.44 178.88 3kl9 h PHE 5 N 0.63 0.81 -0.06 1.25 3.04 -2.01 -1.02 116.94 119.57 3kl9 h PHE 5 Ca 0.17 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.16 3kl9 h PHE 5 Cb 0.01 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.24 3kl9 h PHE 5 CO -0.03 0.40 -0.07 0.77 -2.02 0.00 0.00 178.31 177.37 3kl9 h SER 6 N 0.81 -0.20 -0.96 0.41 0.02 -1.84 0.51 113.55 112.29 3kl9 h SER 6 Ca 0.33 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.36 3kl9 h SER 6 Cb 0.18 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 3kl9 h SER 6 CO -0.18 -0.09 0.63 0.11 -1.14 0.00 0.00 176.83 176.16 3kl9 h LYS 7 N -0.09 1.18 -0.31 3.45 1.57 -1.06 -0.91 116.57 120.39 3kl9 h LYS 7 Ca 0.05 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 3kl9 h LYS 7 Cb 0.16 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3kl9 h LYS 7 CO -0.11 0.78 -0.28 0.82 -0.57 0.00 0.00 179.45 180.09 3kl9 h ILE 8 N 1.21 1.29 -0.79 1.86 2.04 -0.71 -2.77 117.51 119.65 3kl9 h ILE 8 Ca 0.39 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3kl9 h ILE 8 Cb 0.01 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3kl9 h ILE 8 CO -0.13 0.47 0.51 0.50 0.00 0.00 0.00 178.15 179.50 3kl9 h LYS 9 N 0.50 1.05 0.16 2.37 3.64 0.37 -2.05 116.57 122.61 3kl9 h LYS 9 Ca 0.05 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3kl9 h LYS 9 Cb 0.85 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3kl9 h LYS 9 CO 0.07 0.71 -0.08 1.49 -2.27 0.00 0.00 179.45 179.37 3kl9 h GLU 10 N 1.07 -0.21 -0.11 1.90 4.81 -1.06 -2.91 114.58 118.07 3kl9 h GLU 10 Ca 0.29 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.36 3kl9 h GLU 10 Cb -0.10 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3kl9 h GLU 10 CO -0.06 0.02 -0.64 -0.39 -0.73 0.00 0.00 179.01 177.21 3kl9 h VAL 11 N -0.41 1.36 0.00 0.32 -1.51 -1.41 -3.03 116.25 111.57 3kl9 h VAL 11 Ca -0.02 -1.98 0.00 0.00 -1.23 0.00 0.00 66.70 63.47 3kl9 h VAL 11 Cb 0.32 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 3kl9 h VAL 11 CO 0.04 0.60 0.00 0.71 -1.23 0.00 0.00 177.57 177.69 3kl9 h THR 12 N 0.30 0.00 -0.01 7.19 1.35 -1.43 -3.17 112.91 117.14 3kl9 h THR 12 Ca -0.01 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3kl9 h THR 12 Cb 1.19 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3kl9 h THR 12 CO 0.11 0.00 -0.54 -0.62 -0.25 0.00 0.00 175.52 174.22 3kl9 n GLU 13 N -2.80 0.64 -2.11 4.72 1.02 -1.10 -4.72 120.64 116.29 3kl9 n GLU 13 Ca 0.03 -0.48 -0.35 0.00 -0.02 0.00 0.00 57.16 56.34 3kl9 n GLU 13 Cb 0.42 -1.49 0.02 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 -2.69 3.68 -0.36 -4.62 1.43 -1.17 -5.02 118.68 109.93 3kl9 s LEU 14 Ca 0.16 2.23 -0.02 0.00 -1.03 0.00 0.00 54.13 55.48 3kl9 s LEU 14 Cb 0.18 -4.58 0.08 0.00 0.03 0.00 0.00 46.19 41.90 3kl9 s LEU 14 CO 0.65 -1.40 0.10 0.00 0.23 0.00 0.00 176.35 175.93 3kl9 s ALA 15 N -1.78 2.99 -0.32 4.21 0.00 -1.26 -5.03 121.76 120.57 3kl9 s ALA 15 Ca 0.74 -2.20 -0.00 0.00 0.00 0.00 0.00 51.96 50.50 3kl9 s ALA 15 Cb -0.26 -2.17 0.14 0.00 0.00 0.00 0.00 23.12 20.83 3kl9 s ALA 15 CO 0.31 -1.56 0.28 0.00 0.00 0.00 0.00 175.76 174.79 3kl9 s ALA 16 N 1.17 -0.13 0.52 0.00 0.00 -1.26 -4.71 121.76 117.35 3kl9 s ALA 16 Ca 0.03 -0.79 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 3kl9 s ALA 16 Cb -0.21 -1.78 -0.07 0.00 0.00 0.00 0.00 23.12 21.06 3kl9 s ALA 16 CO -0.03 -1.86 1.07 0.08 0.00 0.00 0.00 175.76 175.02 3kl9 s VAL 17 N 1.93 3.62 0.16 0.00 1.01 -1.26 -0.62 120.40 125.24 3kl9 s VAL 17 Ca 0.12 0.96 -0.32 0.00 0.00 0.00 0.00 61.98 62.75 3kl9 s VAL 17 Cb -0.16 -3.39 -0.17 0.00 0.00 0.00 0.00 36.38 32.66 3kl9 s VAL 17 CO -0.22 -0.26 0.82 -1.20 0.00 0.00 0.00 175.10 174.24 3kl9 n SER 18 N -1.24 -0.20 0.00 3.32 7.64 -1.24 -0.94 113.62 120.95 3kl9 n SER 18 Ca 0.10 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.12 3kl9 n SER 18 Cb 0.52 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 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 1.81 2.26 2.63 0.23 0.00 -1.26 -4.87 105.19 105.98 3kl9 n GLY 19 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 1.63 -0.03 1.61 -0.00 -0.12 -4.90 115.22 111.42 3kl9 n HIS 20 Ca 0.00 -2.77 0.06 0.00 -0.00 0.00 0.00 57.72 55.01 3kl9 n HIS 20 Cb 0.00 -0.31 0.26 0.00 -0.00 0.00 0.00 29.99 29.94 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 -0.21 3.07 -0.23 -0.41 0.00 -1.26 -4.24 120.64 117.36 3kl9 n GLU 21 Ca 0.15 -2.06 0.01 0.00 0.00 0.00 0.00 57.16 55.27 3kl9 n GLU 21 Cb 0.79 -1.76 0.10 0.00 0.00 0.00 0.00 31.44 30.57 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 3.65 0.55 -0.29 -1.84 0.00 -1.92 0.12 119.26 119.52 3kl9 h ALA 22 Ca 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3kl9 h ALA 22 Cb 1.17 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3kl9 h ALA 22 CO 0.20 -0.42 -0.06 -1.35 0.00 0.00 0.00 179.25 177.62 3kl9 h PRO 23 N 0.04 0.46 0.00 0.00 0.11 -1.84 -1.56 132.00 129.21 3kl9 h PRO 23 Ca 0.34 -0.11 -0.23 0.00 0.11 0.00 0.00 66.00 66.11 3kl9 h PRO 23 Cb 0.55 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3kl9 h PRO 23 CO -0.65 0.54 -0.96 0.28 -0.21 0.00 0.00 178.00 177.00 3kl9 h VAL 24 N 0.44 1.39 -0.67 3.15 2.07 -1.61 -2.96 116.25 118.07 3kl9 h VAL 24 Ca 0.09 -2.45 0.02 0.00 0.82 0.00 0.00 66.70 65.19 3kl9 h VAL 24 Cb 0.38 2.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 3kl9 h VAL 24 CO 0.02 0.73 0.42 -0.09 0.02 0.00 0.00 177.57 178.67 3kl9 h ARG 25 N 0.24 0.81 -0.57 1.57 2.43 -0.55 -1.24 114.38 117.07 3kl9 h ARG 25 Ca -0.08 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 3kl9 h ARG 25 Cb 1.60 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.94 3kl9 h ARG 25 CO 0.17 0.53 0.12 0.00 -1.51 0.00 0.00 179.97 179.28 3kl9 h ALA 26 N 1.28 1.15 -0.14 2.80 0.00 -1.32 0.74 119.26 123.77 3kl9 h ALA 26 Ca 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kl9 h ALA 26 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kl9 h ALA 26 CO -0.09 0.57 0.09 -0.92 0.00 0.00 0.00 179.25 178.90 3kl9 h TYR 27 N 0.85 0.19 -0.43 0.00 5.03 -1.28 -2.45 116.97 118.87 3kl9 h TYR 27 Ca 0.18 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.35 3kl9 h TYR 27 Cb 0.33 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 3kl9 h TYR 27 CO 0.02 0.15 -0.29 -0.07 -1.32 0.00 0.00 178.16 176.65 3kl9 h LEU 28 N 0.17 0.98 -0.03 2.82 3.38 -0.80 -2.07 115.31 119.77 3kl9 h LEU 28 Ca 0.05 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.64 3kl9 h LEU 28 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3kl9 h LEU 28 CO -0.01 1.19 -0.07 -0.09 0.09 0.00 0.00 178.44 179.55 3kl9 h ARG 29 N 0.79 -0.11 -0.80 1.13 2.43 -0.86 0.48 114.38 117.44 3kl9 h ARG 29 Ca 0.09 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 3kl9 h ARG 29 Cb 0.87 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.38 3kl9 h ARG 29 CO 0.08 -0.07 0.48 1.49 -1.51 0.00 0.00 179.97 180.43 3kl9 h GLU 30 N -0.11 0.84 0.00 0.20 4.22 -1.39 -0.90 114.58 117.43 3kl9 h GLU 30 Ca 0.04 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.36 3kl9 h GLU 30 Cb 0.16 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3kl9 h GLU 30 CO -0.09 0.55 -0.34 0.87 -2.18 0.00 0.00 179.01 177.82 3kl9 h LYS 31 N 0.86 0.00 0.06 1.92 1.57 -0.93 -3.36 116.57 116.69 3kl9 h LYS 31 Ca 0.36 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.96 3kl9 h LYS 31 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3kl9 h LYS 31 CO -0.19 0.32 -0.91 -0.07 -0.57 0.00 0.00 179.45 178.04 3kl9 h LEU 32 N 0.00 0.19 -0.85 2.94 4.07 0.26 -3.42 115.31 118.49 3kl9 h LEU 32 Ca -0.00 -0.82 0.21 0.00 0.08 0.00 0.00 57.88 57.35 3kl9 h LEU 32 Cb 1.25 -0.06 -0.13 0.00 1.08 0.00 0.00 40.66 42.80 3kl9 h LEU 32 CO 0.04 1.39 0.26 0.74 -1.08 0.00 0.00 178.44 179.79 3kl9 h THR 33 N -0.68 0.40 0.00 0.22 2.02 -1.32 -0.23 112.91 113.31 3kl9 h THR 33 Ca -0.21 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 3kl9 h THR 33 Cb 1.42 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3kl9 h THR 33 CO -0.02 0.05 -0.21 -0.65 0.37 0.00 0.00 175.52 175.06 3kl9 h PRO 34 N 0.27 0.00 -0.47 6.66 0.11 -1.81 -3.23 132.00 133.53 3kl9 h PRO 34 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 3kl9 h PRO 34 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3kl9 h PRO 34 CO -0.59 0.21 0.00 0.72 -0.21 0.00 0.00 178.00 178.13 3kl9 n HIS 35 N -4.02 1.33 -3.87 0.65 8.25 -0.10 -4.97 115.22 112.49 3kl9 n HIS 35 Ca -0.02 -0.71 -0.11 0.00 -0.26 0.00 0.00 57.72 56.62 3kl9 n HIS 35 Cb 0.29 -0.30 -0.10 0.00 1.12 0.00 0.00 29.99 30.99 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 -2.27 0.07 0.07 1.59 1.01 -1.19 -4.66 120.40 115.02 3kl9 s VAL 36 Ca 0.46 -0.60 0.15 0.00 0.00 0.00 0.00 61.98 61.99 3kl9 s VAL 36 Cb 0.33 -0.38 0.06 0.00 0.00 0.00 0.00 36.38 36.38 3kl9 s VAL 36 CO 0.17 -0.33 1.58 0.44 0.00 0.00 0.00 175.10 176.95 3kl9 h ASP 37 N 4.57 0.00 -3.46 3.32 3.32 -1.27 -3.47 116.42 119.43 3kl9 h ASP 37 Ca -0.30 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.77 3kl9 h ASP 37 Cb 1.20 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.51 3kl9 h ASP 37 CO 0.41 0.51 0.29 -0.70 -1.72 0.00 0.00 179.24 178.03 3kl9 s GLU 38 N -3.30 0.64 -0.25 3.56 2.12 -0.96 -4.99 118.70 115.53 3kl9 s GLU 38 Ca 0.01 0.81 0.02 0.00 0.36 0.00 0.00 54.97 56.17 3kl9 s GLU 38 Cb 0.10 0.29 0.05 0.00 0.26 0.00 0.00 34.13 34.83 3kl9 s GLU 38 CO 0.73 -0.08 -0.11 0.08 -0.54 0.00 0.00 175.26 175.34 3kl9 s VAL 39 N 0.46 2.32 0.30 3.70 1.01 -1.26 0.20 120.40 127.12 3kl9 s VAL 39 Ca 0.00 -1.43 0.09 0.00 0.00 0.00 0.00 61.98 60.64 3kl9 s VAL 39 Cb -0.05 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3kl9 s VAL 39 CO -0.05 0.08 0.01 0.68 0.00 0.00 0.00 175.10 175.82 3kl9 s VAL 40 N 1.17 3.13 0.20 2.92 -7.23 0.12 -4.95 120.40 115.76 3kl9 s VAL 40 Ca -0.05 -1.92 0.09 0.00 -1.81 0.00 0.00 61.98 58.28 3kl9 s VAL 40 Cb -0.18 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 3kl9 s VAL 40 CO -0.06 -0.31 -0.18 0.28 -0.31 0.00 0.00 175.10 174.53 3kl9 s THR 41 N -2.40 1.94 0.37 5.32 -1.32 -1.26 -0.16 115.64 118.13 3kl9 s THR 41 Ca 0.33 -2.09 0.06 0.00 -1.21 0.00 0.00 61.69 58.78 3kl9 s THR 41 Cb -0.04 -1.99 0.06 0.00 -1.51 0.00 0.00 72.50 69.02 3kl9 s THR 41 CO 0.20 -0.40 0.51 -0.90 -2.21 0.00 0.00 174.62 171.82 3kl9 n ASP 42 N -0.05 1.27 0.26 8.08 5.68 -0.44 -4.97 116.55 126.38 3kl9 n ASP 42 Ca -0.10 -1.93 0.15 0.00 -0.50 0.00 0.00 54.79 52.41 3kl9 n ASP 42 Cb 0.58 -0.28 0.64 0.00 -1.14 0.00 0.00 41.12 40.93 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 0.02 0.00 -0.34 6.12 0.00 -1.91 -3.13 103.07 103.83 3kl9 h GLY 43 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kl9 h GLY 43 CO 0.24 0.00 -0.48 1.04 0.00 0.00 0.00 176.54 177.34 3kl9 n LEU 44 N -3.20 1.10 0.00 3.11 4.32 -1.26 -5.00 117.00 116.06 3kl9 n LEU 44 Ca 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 56.01 55.36 3kl9 n LEU 44 Cb 0.33 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 3kl9 n LEU 44 CO 0.29 0.23 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 3kl9 n GLY 45 N 1.21 0.87 3.76 -0.72 0.00 -1.18 -4.96 105.19 104.16 3kl9 n GLY 45 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.66 2.71 -0.11 -0.02 0.00 -1.26 -4.79 107.32 103.19 3kl9 s GLY 46 Ca 0.00 1.28 -0.05 0.00 0.00 0.00 0.00 44.72 45.95 3kl9 s GLY 46 CO 0.00 2.07 0.07 -0.26 0.00 0.00 0.00 173.10 174.97 3kl9 s ILE 47 N -0.62 4.87 -0.04 0.90 -5.25 -1.21 -1.33 121.20 118.53 3kl9 s ILE 47 Ca 0.53 -0.03 -0.03 0.00 -0.99 0.00 0.00 60.65 60.14 3kl9 s ILE 47 Cb -0.40 -3.10 0.02 0.00 2.95 0.00 0.00 42.46 41.92 3kl9 s ILE 47 CO 0.48 0.60 0.09 -0.36 -1.79 0.00 0.00 174.94 173.96 3kl9 s PHE 48 N -0.84 -0.09 -0.16 1.37 0.40 0.78 -1.89 117.98 117.55 3kl9 s PHE 48 Ca 0.13 0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 56.61 3kl9 s PHE 48 Cb -0.12 -0.02 -0.05 0.00 0.51 0.00 0.00 43.02 43.35 3kl9 s PHE 48 CO 0.03 -0.07 0.21 0.20 0.70 0.00 0.00 175.22 176.29 3kl9 s GLY 49 N 0.35 2.15 -0.24 4.36 0.00 0.12 0.15 107.32 114.22 3kl9 s GLY 49 Ca -0.03 -0.56 -0.11 0.00 0.00 0.00 0.00 44.72 44.02 3kl9 s GLY 49 CO -0.01 0.15 0.17 -0.42 0.00 0.00 0.00 173.10 172.99 3kl9 s ILE 50 N 0.06 5.36 -0.45 0.90 1.01 0.52 -1.27 121.20 127.33 3kl9 s ILE 50 Ca 0.13 0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.94 3kl9 s ILE 50 Cb -0.12 -3.51 0.12 0.00 0.01 0.00 0.00 42.46 38.96 3kl9 s ILE 50 CO 0.02 0.35 0.27 -0.75 0.00 0.00 0.00 174.94 174.83 3kl9 s LYS 51 N 1.03 2.21 0.45 2.79 2.20 -0.26 -0.79 119.74 127.37 3kl9 s LYS 51 Ca 0.08 -1.86 -0.25 0.00 -0.36 0.00 0.00 55.97 53.58 3kl9 s LYS 51 Cb -0.13 -3.71 -0.08 0.00 -1.51 0.00 0.00 37.83 32.39 3kl9 s LYS 51 CO 0.04 -1.12 1.43 -1.01 -0.36 0.00 0.00 175.35 174.33 3kl9 s HIS 52 N 1.12 2.44 -0.00 4.03 3.76 -1.26 -2.15 115.29 123.23 3kl9 s HIS 52 Ca 0.08 1.26 0.01 0.00 -0.15 0.00 0.00 55.06 56.26 3kl9 s HIS 52 Cb -0.24 -3.93 -0.04 0.00 1.11 0.00 0.00 32.58 29.49 3kl9 s HIS 52 CO -0.03 -2.98 0.00 0.45 -0.85 0.00 0.00 174.74 171.33 3kl9 s SER 53 N -0.50 5.12 0.33 1.40 0.15 -1.26 -4.84 113.70 114.10 3kl9 s SER 53 Ca 0.61 -0.01 0.20 0.00 0.70 0.00 0.00 55.95 57.46 3kl9 s SER 53 Cb -0.44 -1.34 0.17 0.00 -1.71 0.00 0.00 66.02 62.70 3kl9 s SER 53 CO 0.57 0.28 1.41 -0.33 1.20 0.00 0.00 173.24 176.36 3kl9 h GLU 54 N 4.33 0.00 -6.95 5.44 5.08 -1.93 -3.48 114.58 117.07 3kl9 h GLU 54 Ca -0.49 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.31 3kl9 h GLU 54 Cb 1.18 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.59 3kl9 h GLU 54 CO 0.57 0.16 0.22 0.00 -1.00 0.00 0.00 179.01 178.96 3kl9 n ALA 55 N -2.17 0.28 0.34 3.43 0.00 -1.26 -4.96 120.51 116.17 3kl9 n ALA 55 Ca 0.02 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 3kl9 n ALA 55 Cb 0.61 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.83 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 0.19 0.00 -0.81 0.00 2.07 -1.95 -3.24 116.25 112.51 3kl9 h VAL 56 Ca -0.49 -0.03 -0.56 0.00 0.82 0.00 0.00 66.70 66.44 3kl9 h VAL 56 Cb 1.35 0.00 -0.34 0.00 -1.52 0.00 0.00 31.29 30.77 3kl9 h VAL 56 CO 0.50 0.00 -0.09 -0.67 0.02 0.00 0.00 177.57 177.33 3kl9 n ASP 57 N -4.40 5.71 -4.65 0.57 2.03 -1.26 -5.06 116.55 109.50 3kl9 n ASP 57 Ca -0.11 -3.77 -0.49 0.00 0.52 0.00 0.00 54.79 50.94 3kl9 n ASP 57 Cb 0.34 -0.62 -0.05 0.00 -0.72 0.00 0.00 41.12 40.07 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 -0.84 0.37 -1.76 -1.67 0.00 -1.23 -4.82 120.51 110.56 3kl9 n ALA 58 Ca 0.50 0.44 -0.40 0.00 0.00 0.00 0.00 53.44 53.99 3kl9 n ALA 58 Cb 0.87 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 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 1.41 4.55 -0.06 0.00 0.04 -1.26 -4.51 135.00 135.17 3kl9 s PRO 59 Ca 0.84 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 63.44 3kl9 s PRO 59 Cb -0.81 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 3kl9 s PRO 59 CO 0.45 0.11 1.34 1.03 0.04 0.00 0.00 177.00 179.97 3kl9 s ARG 60 N -1.59 4.28 -0.11 4.56 0.52 -1.26 -0.91 118.95 124.44 3kl9 s ARG 60 Ca 0.46 1.84 0.02 0.00 -0.52 0.00 0.00 55.73 57.53 3kl9 s ARG 60 Cb -0.33 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.48 3kl9 s ARG 60 CO 0.42 -0.60 -0.16 0.08 0.02 0.00 0.00 175.30 175.07 3kl9 s VAL 61 N 2.76 2.81 -0.17 3.52 1.01 -0.51 -0.63 120.40 129.20 3kl9 s VAL 61 Ca 0.60 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3kl9 s VAL 61 Cb -0.27 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3kl9 s VAL 61 CO 0.23 0.54 -0.05 -0.22 0.00 0.00 0.00 175.10 175.60 3kl9 s LEU 62 N 0.14 3.10 -0.16 3.92 2.96 -0.74 0.02 118.68 127.92 3kl9 s LEU 62 Ca -0.08 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 3kl9 s LEU 62 Cb -0.15 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.79 3kl9 s LEU 62 CO 0.05 0.13 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.37 3kl9 s VAL 63 N 0.61 2.66 -0.06 1.68 1.01 0.59 -0.09 120.40 126.80 3kl9 s VAL 63 Ca -0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 3kl9 s VAL 63 Cb -0.15 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.14 3kl9 s VAL 63 CO 0.03 0.51 0.11 0.00 0.00 0.00 0.00 175.10 175.74 3kl9 s ALA 64 N 0.93 -0.03 0.44 5.51 0.00 0.09 -1.92 121.76 126.78 3kl9 s ALA 64 Ca -0.03 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3kl9 s ALA 64 Cb -0.15 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3kl9 s ALA 64 CO -0.02 -0.36 0.00 -1.13 0.00 0.00 0.00 175.76 174.25 3kl9 n SER 65 N 4.84 0.00 -3.88 0.00 3.41 -0.80 -0.85 113.62 116.34 3kl9 n SER 65 Ca -0.14 -0.02 -0.11 0.00 -0.26 0.00 0.00 58.87 58.35 3kl9 n SER 65 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.10 0.04 -0.13 7.33 -3.43 -1.26 -0.03 115.29 118.92 3kl9 s HIS 66 Ca 0.00 -0.10 0.17 0.00 -0.80 0.00 0.00 55.06 54.33 3kl9 s HIS 66 Cb 0.00 -0.05 -0.14 0.00 -1.43 0.00 0.00 32.58 30.96 3kl9 s HIS 66 CO 0.00 -0.23 0.80 -1.33 -2.00 0.00 0.00 174.74 171.98 3kl9 n MET 67 N 1.80 0.62 -2.71 -0.38 2.81 -0.67 -4.51 117.12 114.08 3kl9 n MET 67 Ca -0.21 0.21 -0.34 0.00 -1.81 0.00 0.00 57.70 55.55 3kl9 n MET 67 Cb 0.56 -1.79 -0.06 0.00 -0.71 0.00 0.00 33.22 31.22 3kl9 n MET 67 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3kl9 s ASP 68 N -5.73 6.79 0.29 7.83 -4.77 -1.26 -4.80 116.67 115.02 3kl9 s ASP 68 Ca -0.03 1.81 0.11 0.00 -3.30 0.00 0.00 52.55 51.14 3kl9 s ASP 68 Cb 0.09 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.31 3kl9 s ASP 68 CO 0.81 -0.46 -0.15 -1.83 0.70 0.00 0.00 175.17 174.24 3kl9 s GLU 69 N -3.00 1.79 0.52 2.11 -1.05 0.21 -4.16 118.70 115.13 3kl9 s GLU 69 Ca 0.62 -1.76 -0.20 0.00 -0.15 0.00 0.00 54.97 53.47 3kl9 s GLU 69 Cb -0.14 -1.81 -0.06 0.00 -0.44 0.00 0.00 34.13 31.68 3kl9 s GLU 69 CO 0.18 0.29 1.12 0.14 0.95 0.00 0.00 175.26 177.94 3kl9 s VAL 70 N -2.51 3.23 0.00 1.83 -7.23 -1.26 -3.60 120.40 110.86 3kl9 s VAL 70 Ca 0.31 0.79 0.00 0.00 -1.81 0.00 0.00 61.98 61.27 3kl9 s VAL 70 Cb -0.04 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.57 3kl9 s VAL 70 CO 0.16 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 3kl9 n GLY 71 N 0.16 2.08 3.20 2.32 0.00 -0.13 -4.62 105.19 108.19 3kl9 n GLY 71 Ca 0.11 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.45 1.09 -0.02 1.61 0.40 -0.09 -0.66 117.98 119.86 3kl9 s PHE 72 Ca 0.00 -1.28 -0.02 0.00 -0.60 0.00 0.00 56.93 55.03 3kl9 s PHE 72 Cb 0.00 -0.58 0.01 0.00 0.51 0.00 0.00 43.02 42.96 3kl9 s PHE 72 CO 0.00 -0.53 0.06 1.41 0.70 0.00 0.00 175.22 176.86 3kl9 s MET 73 N -4.09 0.06 -0.04 0.44 1.75 -0.60 0.05 119.30 116.87 3kl9 s MET 73 Ca 0.32 0.10 -0.30 0.00 -1.25 0.00 0.00 55.69 54.57 3kl9 s MET 73 Cb 0.07 -0.00 -0.06 0.00 2.84 0.00 0.00 34.83 37.68 3kl9 s MET 73 CO 0.08 -0.03 1.64 0.08 -0.65 0.00 0.00 175.02 176.14 3kl9 s VAL 74 N 0.18 3.53 -0.10 10.11 1.01 -0.40 -0.97 120.40 133.77 3kl9 s VAL 74 Ca -0.01 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.70 3kl9 s VAL 74 Cb -0.02 -3.45 -0.24 0.00 0.00 0.00 0.00 36.38 32.66 3kl9 s VAL 74 CO -0.01 -0.05 0.44 -1.54 0.00 0.00 0.00 175.10 173.94 3kl9 n SER 75 N 6.89 1.50 -3.51 3.32 3.41 0.03 -0.70 113.62 124.56 3kl9 n SER 75 Ca 0.17 0.26 -0.16 0.00 -0.26 0.00 0.00 58.87 58.88 3kl9 n SER 75 Cb 0.43 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.57 1.09 -0.27 4.33 -1.05 -1.12 -4.83 118.70 114.28 3kl9 s GLU 76 Ca -0.15 -0.00 -0.11 0.00 -0.15 0.00 0.00 54.97 54.56 3kl9 s GLU 76 Cb 0.07 0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 34.22 3kl9 s GLU 76 CO 0.79 -0.38 0.18 0.42 0.95 0.00 0.00 175.26 177.21 3kl9 s ILE 77 N -1.98 5.22 0.58 1.83 1.01 -1.26 -1.84 121.20 124.75 3kl9 s ILE 77 Ca -0.07 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.55 3kl9 s ILE 77 Cb -0.01 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 3kl9 s ILE 77 CO 0.03 0.27 1.05 -0.54 0.00 0.00 0.00 174.94 175.75 3kl9 s LYS 78 N 1.67 3.40 0.55 2.79 -0.14 0.06 -4.93 119.74 123.14 3kl9 s LYS 78 Ca 0.07 1.23 0.26 0.00 -1.36 0.00 0.00 55.97 56.17 3kl9 s LYS 78 Cb -0.16 -2.04 1.45 0.00 -1.68 0.00 0.00 37.83 35.40 3kl9 s LYS 78 CO 0.10 -0.75 2.00 -1.35 -0.76 0.00 0.00 175.35 174.59 3kl9 h PRO 79 N 0.62 0.00 0.00 -1.68 0.11 -1.97 0.43 132.00 129.52 3kl9 h PRO 79 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kl9 h PRO 79 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kl9 h PRO 79 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 3kl9 n ASP 80 N -4.18 0.00 0.00 -2.05 5.75 -1.26 -1.56 116.55 113.25 3kl9 n ASP 80 Ca 0.08 -0.35 0.00 0.00 -0.01 0.00 0.00 54.79 54.51 3kl9 n ASP 80 Cb 0.56 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 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 1.10 0.15 3.93 6.12 0.00 0.14 -3.58 105.19 113.05 3kl9 n GLY 81 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 2.02 0.06 2.61 -4.23 -1.26 -4.64 115.64 108.20 3kl9 s THR 82 Ca 0.00 -0.07 0.07 0.00 -1.18 0.00 0.00 61.69 60.51 3kl9 s THR 82 Cb 0.00 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 3kl9 s THR 82 CO 0.00 0.00 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.53 3kl9 s PHE 83 N -3.76 1.68 0.05 3.99 0.08 0.19 -0.76 117.98 119.45 3kl9 s PHE 83 Ca 0.71 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 57.41 3kl9 s PHE 83 Cb -0.05 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 3kl9 s PHE 83 CO 0.51 0.11 -0.01 1.03 -0.10 0.00 0.00 175.22 176.76 3kl9 s ARG 84 N -1.38 2.63 0.38 0.44 1.81 -0.77 -1.13 118.95 120.94 3kl9 s ARG 84 Ca 0.06 -0.74 0.04 0.00 -1.72 0.00 0.00 55.73 53.36 3kl9 s ARG 84 Cb -0.09 -2.58 -0.04 0.00 -0.45 0.00 0.00 34.95 31.79 3kl9 s ARG 84 CO 0.02 0.58 0.08 0.14 -0.68 0.00 0.00 175.30 175.45 3kl9 s VAL 85 N -1.19 0.93 -0.01 3.52 -7.23 -1.26 -0.79 120.40 114.36 3kl9 s VAL 85 Ca 0.22 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 3kl9 s VAL 85 Cb -0.12 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 3kl9 s VAL 85 CO 0.14 0.00 -0.14 0.54 -0.31 0.00 0.00 175.10 175.33 3kl9 s VAL 86 N -3.23 1.10 0.36 1.32 0.11 -0.14 -4.37 120.40 115.54 3kl9 s VAL 86 Ca 0.28 -0.58 -0.27 0.00 -2.93 0.00 0.00 61.98 58.49 3kl9 s VAL 86 Cb 0.05 -0.92 -0.09 0.00 -1.53 0.00 0.00 36.38 33.89 3kl9 s VAL 86 CO 0.14 0.31 1.15 -1.83 -3.33 0.00 0.00 175.10 171.54 3kl9 s GLU 87 N -0.25 4.28 -0.32 1.54 -1.05 -1.26 -1.56 118.70 120.08 3kl9 s GLU 87 Ca 0.04 1.82 0.04 0.00 -0.15 0.00 0.00 54.97 56.72 3kl9 s GLU 87 Cb -0.06 -2.85 0.09 0.00 -0.44 0.00 0.00 34.13 30.87 3kl9 s GLU 87 CO -0.00 -0.12 0.01 0.42 0.95 0.00 0.00 175.26 176.52 3kl9 s ILE 88 N -1.35 2.19 0.00 1.83 1.01 0.16 -4.87 121.20 120.18 3kl9 s ILE 88 Ca 0.53 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 59.06 3kl9 s ILE 88 Cb -0.31 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.63 3kl9 s ILE 88 CO 0.39 -0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.49 3kl9 n GLY 89 N 4.33 0.30 3.65 6.18 0.00 -1.26 -0.96 105.19 117.43 3kl9 n GLY 89 Ca -0.01 -1.74 -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 -1.63 1.71 -0.11 -0.02 0.00 -1.26 -4.84 107.32 101.16 3kl9 s GLY 90 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.76 3kl9 s GLY 90 CO 0.00 2.07 -0.09 -0.98 0.00 0.00 0.00 173.10 174.10 3kl9 s TRP 91 N 3.12 2.90 -0.35 1.90 0.52 -1.26 -4.95 118.94 120.82 3kl9 s TRP 91 Ca 0.41 -0.33 -0.29 0.00 0.02 0.00 0.00 56.10 55.92 3kl9 s TRP 91 Cb -0.15 -1.83 -0.00 0.00 -1.15 0.00 0.00 33.47 30.35 3kl9 s TRP 91 CO 0.07 0.01 1.47 1.21 0.02 0.00 0.00 176.95 179.74 3kl9 s ASN 92 N -0.03 6.35 0.64 2.95 2.47 -1.26 -4.89 114.94 121.17 3kl9 s ASN 92 Ca -0.01 1.08 0.31 0.00 0.42 0.00 0.00 52.86 54.65 3kl9 s ASN 92 Cb -0.14 -2.54 1.68 0.00 -1.45 0.00 0.00 41.25 38.81 3kl9 s ASN 92 CO 0.03 -1.37 1.98 -0.65 -3.72 0.00 0.00 177.10 173.37 3kl9 h PRO 93 N 10.70 0.00 0.00 0.43 0.11 -1.98 0.11 132.00 141.37 3kl9 h PRO 93 Ca -0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3kl9 h PRO 93 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kl9 h PRO 93 CO 1.06 0.00 -0.02 0.52 -0.21 0.00 0.00 178.00 179.34 3kl9 h MET 94 N 0.00 0.00 -0.06 1.05 2.86 -1.91 -2.90 114.93 113.97 3kl9 h MET 94 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3kl9 h MET 94 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3kl9 h MET 94 CO -0.00 0.02 0.00 1.33 1.06 0.00 0.00 176.91 179.32 3kl9 n VAL 95 N -3.45 0.05 0.01 -2.22 0.24 0.03 -4.64 118.33 108.36 3kl9 n VAL 95 Ca -0.03 -0.53 0.03 0.00 -2.04 0.00 0.00 64.34 61.78 3kl9 n VAL 95 Cb 0.12 1.39 -0.10 0.00 -1.47 0.00 0.00 33.84 33.78 3kl9 n VAL 95 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3kl9 n VAL 96 N 1.19 0.81 -2.65 3.34 0.31 -1.09 -4.92 118.33 115.32 3kl9 n VAL 96 Ca 0.13 -0.64 -0.40 0.00 -0.01 0.00 0.00 64.34 63.41 3kl9 n VAL 96 Cb 0.53 -0.43 -0.05 0.00 -0.91 0.00 0.00 33.84 32.97 3kl9 n VAL 96 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3kl9 s SER 97 N -5.33 7.51 -0.99 4.52 0.01 -1.26 -4.17 113.70 113.99 3kl9 s SER 97 Ca -0.05 2.04 -0.05 0.00 1.31 0.00 0.00 55.95 59.20 3kl9 s SER 97 Cb 0.10 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 3kl9 s SER 97 CO 0.84 0.03 0.87 -1.20 0.41 0.00 0.00 173.24 174.19 3kl9 n SER 98 N 1.55 -6.89 -4.16 2.44 7.64 -1.12 -5.00 113.62 108.08 3kl9 n SER 98 Ca -0.01 -0.58 -0.16 0.00 1.01 0.00 0.00 58.87 59.13 3kl9 n SER 98 Cb 0.46 -5.23 -0.11 0.00 -1.01 0.00 0.00 64.21 58.32 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 -4.11 0.81 0.21 1.43 -1.52 -1.25 -4.93 119.66 110.29 3kl9 s GLN 99 Ca 0.36 -1.02 -0.13 0.00 -1.95 0.00 0.00 55.36 52.62 3kl9 s GLN 99 Cb -0.05 -0.67 -0.07 0.00 -0.22 0.00 0.00 33.01 32.00 3kl9 s GLN 99 CO 0.74 0.13 0.59 1.03 -0.25 0.00 0.00 175.29 177.53 3kl9 s ARG 100 N -2.14 3.93 0.08 2.91 0.52 -1.26 -1.81 118.95 121.18 3kl9 s ARG 100 Ca 0.00 0.46 -0.09 0.00 -0.52 0.00 0.00 55.73 55.59 3kl9 s ARG 100 Cb -0.07 -2.76 -0.00 0.00 0.52 0.00 0.00 34.95 32.64 3kl9 s ARG 100 CO 0.01 0.37 0.18 -0.06 0.02 0.00 0.00 175.30 175.83 3kl9 s PHE 101 N -1.67 0.15 -0.23 -0.53 0.08 0.31 -1.19 117.98 114.91 3kl9 s PHE 101 Ca 0.44 -0.57 -0.07 0.00 0.12 0.00 0.00 56.93 56.85 3kl9 s PHE 101 Cb -0.13 -0.07 -0.03 0.00 -0.57 0.00 0.00 43.02 42.22 3kl9 s PHE 101 CO 0.20 -0.53 0.06 0.15 -0.10 0.00 0.00 175.22 175.00 3kl9 s LYS 102 N -3.76 3.69 -0.10 0.44 1.02 0.13 -1.64 119.74 119.53 3kl9 s LYS 102 Ca 0.04 -0.46 -0.24 0.00 0.02 0.00 0.00 55.97 55.32 3kl9 s LYS 102 Cb 0.04 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 3kl9 s LYS 102 CO -0.10 -0.09 0.76 -1.17 -0.92 0.00 0.00 175.35 173.82 3kl9 s LEU 103 N 1.35 4.27 -0.48 3.17 0.20 0.68 -0.37 118.68 127.50 3kl9 s LEU 103 Ca 0.05 1.20 -0.12 0.00 0.69 0.00 0.00 54.13 55.95 3kl9 s LEU 103 Cb -0.15 -3.16 0.10 0.00 -0.43 0.00 0.00 46.19 42.56 3kl9 s LEU 103 CO 0.03 -0.22 0.37 -0.76 -0.29 0.00 0.00 176.35 175.49 3kl9 s LEU 104 N 1.27 5.67 0.51 -0.68 1.02 0.01 -0.45 118.68 126.02 3kl9 s LEU 104 Ca 0.38 -1.64 -0.22 0.00 0.02 0.00 0.00 54.13 52.67 3kl9 s LEU 104 Cb -0.18 -2.10 -0.06 0.00 0.02 0.00 0.00 46.19 43.88 3kl9 s LEU 104 CO 0.17 -0.69 1.25 -0.89 0.02 0.00 0.00 176.35 176.22 3kl9 s THR 105 N 1.50 2.63 0.27 5.49 2.01 -0.24 -3.78 115.64 123.52 3kl9 s THR 105 Ca 0.04 0.47 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 3kl9 s THR 105 Cb -0.26 -3.23 0.26 0.00 0.01 0.00 0.00 72.50 69.28 3kl9 s THR 105 CO 0.03 -0.01 1.94 -0.09 -0.69 0.00 0.00 174.62 175.79 3kl9 h ARG 106 N 1.72 1.21 0.00 4.92 2.43 -1.89 -1.00 114.38 121.78 3kl9 h ARG 106 Ca -0.50 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 3kl9 h ARG 106 Cb 1.27 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3kl9 h ARG 106 CO 0.59 0.80 0.00 -0.40 -1.51 0.00 0.00 179.97 179.45 3kl9 n ASP 107 N -4.41 0.00 0.00 -3.80 5.68 -1.26 -4.85 116.55 107.90 3kl9 n ASP 107 Ca 0.12 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 3kl9 n ASP 107 Cb 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 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 0.47 1.25 3.90 6.12 0.00 -0.38 -5.10 105.19 111.45 3kl9 n GLY 108 Ca 0.08 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 3.42 -0.27 1.61 3.76 -1.24 -4.92 115.29 115.65 3kl9 s HIS 109 Ca 0.00 0.14 -0.02 0.00 -0.15 0.00 0.00 55.06 55.03 3kl9 s HIS 109 Cb 0.00 -1.67 0.04 0.00 1.11 0.00 0.00 32.58 32.05 3kl9 s HIS 109 CO 0.00 0.54 -0.03 -1.21 -0.85 0.00 0.00 174.74 173.19 3kl9 s GLU 110 N -2.89 2.65 -0.14 1.40 2.02 -1.26 -1.08 118.70 119.39 3kl9 s GLU 110 Ca 0.34 -1.11 -0.00 0.00 0.02 0.00 0.00 54.97 54.22 3kl9 s GLU 110 Cb -0.12 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 3kl9 s GLU 110 CO 0.27 -0.50 -0.14 0.96 0.02 0.00 0.00 175.26 175.87 3kl9 s ILE 111 N 1.29 2.88 0.11 -1.63 -5.25 0.40 -4.91 121.20 114.09 3kl9 s ILE 111 Ca -0.02 -0.71 -0.31 0.00 -0.99 0.00 0.00 60.65 58.62 3kl9 s ILE 111 Cb -0.18 -2.22 -0.08 0.00 2.95 0.00 0.00 42.46 42.93 3kl9 s ILE 111 CO -0.03 0.52 1.48 -2.84 -1.79 0.00 0.00 174.94 172.28 3kl9 s PRO 112 N 0.61 4.27 -0.01 0.37 0.02 -1.26 -0.23 135.00 138.76 3kl9 s PRO 112 Ca -0.08 2.18 0.04 0.00 0.02 0.00 0.00 61.00 63.16 3kl9 s PRO 112 Cb -0.16 -3.31 -0.01 0.00 0.02 0.00 0.00 34.50 31.05 3kl9 s PRO 112 CO 0.03 -0.55 -0.13 0.08 -0.33 0.00 0.00 177.00 176.11 3kl9 s VAL 113 N 1.49 1.00 0.21 3.83 1.01 -0.65 -4.52 120.40 122.76 3kl9 s VAL 113 Ca 0.67 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 62.23 3kl9 s VAL 113 Cb -0.39 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3kl9 s VAL 113 CO 0.30 0.28 -0.17 0.27 0.00 0.00 0.00 175.10 175.79 3kl9 s ILE 114 N -0.24 2.73 0.22 2.22 -4.36 -0.19 -0.53 121.20 121.05 3kl9 s ILE 114 Ca 0.04 -1.95 -0.13 0.00 -0.26 0.00 0.00 60.65 58.35 3kl9 s ILE 114 Cb -0.05 -2.36 -0.08 0.00 1.25 0.00 0.00 42.46 41.22 3kl9 s ILE 114 CO -0.00 -0.17 0.61 -0.94 0.24 0.00 0.00 174.94 174.67 3kl9 s SER 115 N -2.91 6.77 0.00 4.36 1.04 -0.75 -0.25 113.70 121.96 3kl9 s SER 115 Ca 0.24 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.77 3kl9 s SER 115 Cb -0.08 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.75 3kl9 s SER 115 CO 0.13 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.93 3kl9 n GLY 116 N 0.21 1.04 2.72 7.32 0.00 0.13 -2.78 105.19 113.84 3kl9 n GLY 116 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 3kl9 n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kl9 n PRO 132 N -0.96 0.35 -3.18 1.61 -0.04 -1.26 -4.42 135.00 127.10 3kl9 n PRO 132 Ca 0.00 -1.49 -0.39 0.00 -0.04 0.00 0.00 63.50 61.58 3kl9 n PRO 132 Cb 0.00 -0.78 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 3kl9 n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kl9 s ALA 133 N 0.90 3.51 0.28 0.55 0.00 -1.26 -4.88 121.76 120.86 3kl9 s ALA 133 Ca 0.27 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.33 3kl9 s ALA 133 Cb 0.06 -2.75 0.54 0.00 0.00 0.00 0.00 23.12 20.97 3kl9 s ALA 133 CO -0.08 0.25 1.83 0.82 0.00 0.00 0.00 175.76 178.58 3kl9 h ILE 134 N 3.83 0.90 0.00 0.00 2.04 -1.96 0.32 117.51 122.65 3kl9 h ILE 134 Ca -0.47 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.07 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 0.67 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.99 3kl9 n ALA 135 N -2.35 1.15 0.42 1.87 0.00 -1.26 -2.47 120.51 117.87 3kl9 n ALA 135 Ca 0.18 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.78 3kl9 n ALA 135 Cb 0.36 -1.18 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 3kl9 n ALA 135 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kl9 n ASP 136 N -1.86 0.95 -4.72 0.00 8.00 0.10 -4.68 116.55 114.33 3kl9 n ASP 136 Ca 0.00 -0.49 -0.42 0.00 0.71 0.00 0.00 54.79 54.60 3kl9 n ASP 136 Cb 0.05 1.34 -0.03 0.00 -0.02 0.00 0.00 41.12 42.46 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 -2.81 4.04 -0.02 0.53 1.01 -1.03 -4.97 121.20 117.95 3kl9 s ILE 137 Ca 0.01 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 61.95 3kl9 s ILE 137 Cb 0.12 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 3kl9 s ILE 137 CO 0.68 0.19 1.35 -0.69 0.00 0.00 0.00 174.94 176.47 3kl9 s VAL 138 N 0.46 3.85 -0.14 2.92 1.01 -1.26 -4.63 120.40 122.61 3kl9 s VAL 138 Ca 0.54 1.22 -0.04 0.00 0.00 0.00 0.00 61.98 63.69 3kl9 s VAL 138 Cb -0.29 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3kl9 s VAL 138 CO 0.32 -0.00 0.02 -0.36 0.00 0.00 0.00 175.10 175.07 3kl9 s PHE 139 N 2.37 3.18 -0.05 5.22 0.40 -0.28 0.22 117.98 129.04 3kl9 s PHE 139 Ca 0.62 0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.99 3kl9 s PHE 139 Cb -0.30 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.33 3kl9 s PHE 139 CO 0.25 0.26 0.03 0.34 0.70 0.00 0.00 175.22 176.80 3kl9 s ASP 140 N -0.18 1.11 -0.05 1.36 3.68 0.65 0.54 116.67 123.78 3kl9 s ASP 140 Ca 0.06 0.00 0.12 0.00 2.13 0.00 0.00 52.55 54.86 3kl9 s ASP 140 Cb -0.12 -0.26 0.36 0.00 -1.45 0.00 0.00 42.92 41.45 3kl9 s ASP 140 CO 0.02 -0.20 1.29 0.61 0.13 0.00 0.00 175.17 177.02 3kl9 n GLY 141 N 4.97 3.14 2.34 2.66 0.00 -1.26 -1.02 105.19 116.00 3kl9 n GLY 141 Ca -0.10 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 3kl9 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl9 n GLY 142 N 0.19 0.05 3.93 -0.02 0.00 -1.26 -4.95 105.19 103.13 3kl9 n GLY 142 Ca 0.14 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 3kl9 n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl9 s PHE 143 N -2.78 3.48 0.11 1.61 0.40 -1.26 -5.02 117.98 114.53 3kl9 s PHE 143 Ca 0.12 0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 56.78 3kl9 s PHE 143 Cb -0.05 -1.87 -0.18 0.00 0.51 0.00 0.00 43.02 41.42 3kl9 s PHE 143 CO 0.15 0.28 1.24 0.00 0.70 0.00 0.00 175.22 177.59 3kl9 h ALA 144 N 1.52 0.27 -2.79 5.36 0.00 -1.92 -3.43 119.26 118.26 3kl9 h ALA 144 Ca -0.49 -0.83 0.04 0.00 0.00 0.00 0.00 54.91 53.64 3kl9 h ALA 144 Cb 1.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kl9 h ALA 144 CO 0.65 0.98 0.39 -0.40 0.00 0.00 0.00 179.25 180.87 3kl9 n ASP 145 N -3.56 -2.02 -0.11 0.00 3.85 -1.24 -4.56 116.55 108.92 3kl9 n ASP 145 Ca -0.06 -2.28 -0.05 0.00 -0.71 0.00 0.00 54.79 51.69 3kl9 n ASP 145 Cb 0.94 3.33 0.02 0.00 -1.35 0.00 0.00 41.12 44.06 3kl9 n ASP 145 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 3kl9 h LYS 146 N 0.00 0.11 -0.74 0.11 3.64 -1.37 -2.75 116.57 115.58 3kl9 h LYS 146 Ca -0.30 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.17 3kl9 h LYS 146 Cb 1.18 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 3kl9 h LYS 146 CO 0.39 0.07 0.38 0.00 -2.27 0.00 0.00 179.45 178.02 3kl9 h ALA 147 N 1.32 1.02 -0.26 5.00 0.00 -1.91 -1.14 119.26 123.30 3kl9 h ALA 147 Ca 0.18 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3kl9 h ALA 147 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kl9 h ALA 147 CO -0.30 -0.02 -0.18 1.49 0.00 0.00 0.00 179.25 180.24 3kl9 h GLU 148 N 0.64 0.58 -0.13 0.00 4.81 -1.93 0.87 114.58 119.42 3kl9 h GLU 148 Ca 0.36 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3kl9 h GLU 148 Cb 0.37 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 3kl9 h GLU 148 CO -0.27 0.86 -0.35 0.00 -0.73 0.00 0.00 179.01 178.52 3kl9 h ALA 149 N 0.71 -0.44 -0.45 2.92 0.00 -1.16 -0.73 119.26 120.10 3kl9 h ALA 149 Ca 0.05 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kl9 h ALA 149 Cb 0.72 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3kl9 h ALA 149 CO 0.05 -0.84 0.30 0.93 0.00 0.00 0.00 179.25 179.69 3kl9 h GLU 150 N -0.43 0.38 0.00 0.00 5.08 -1.14 -1.43 114.58 117.04 3kl9 h GLU 150 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kl9 h GLU 150 Cb 0.58 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3kl9 h GLU 150 CO -0.37 0.25 0.00 0.66 -1.00 0.00 0.00 179.01 178.55 3kl9 h SER 151 N 0.39 0.00 -0.46 1.42 4.64 0.70 -1.12 113.55 119.11 3kl9 h SER 151 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3kl9 h SER 151 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3kl9 h SER 151 CO -0.05 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.40 3kl9 n PHE 152 N -2.97 1.40 -0.82 4.77 3.01 -0.54 -4.90 117.46 117.41 3kl9 n PHE 152 Ca -0.01 -0.51 0.00 0.00 1.01 0.00 0.00 57.45 57.94 3kl9 n PHE 152 Cb 0.18 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 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 0.67 0.90 3.74 1.37 0.00 -0.42 -4.98 105.19 106.46 3kl9 n GLY 153 Ca 0.20 0.00 -0.41 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 -3.58 3.50 0.05 -0.61 1.01 -1.21 -4.44 121.20 115.92 3kl9 s ILE 154 Ca 0.00 1.31 -0.03 0.00 0.00 0.00 0.00 60.65 61.93 3kl9 s ILE 154 Cb 0.00 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3kl9 s ILE 154 CO 0.00 0.23 0.04 -0.13 0.00 0.00 0.00 174.94 175.09 3kl9 s ARG 155 N -0.53 0.61 0.21 2.79 1.81 -1.26 -4.21 118.95 118.37 3kl9 s ARG 155 Ca 0.51 -0.99 -0.32 0.00 -1.72 0.00 0.00 55.73 53.22 3kl9 s ARG 155 Cb -0.33 0.23 -0.14 0.00 -0.45 0.00 0.00 34.95 34.26 3kl9 s ARG 155 CO 0.38 -0.14 1.40 -2.30 -0.68 0.00 0.00 175.30 173.96 3kl9 n PRO 156 N 0.41 1.88 0.00 3.54 -0.02 -1.26 -2.30 135.00 137.26 3kl9 n PRO 156 Ca -0.17 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3kl9 n PRO 156 Cb 0.60 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 2.38 0.37 3.76 -1.23 0.00 0.13 -4.99 105.19 105.61 3kl9 n GLY 157 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.03 6.66 0.38 1.61 1.01 -0.97 -4.65 116.67 118.67 3kl9 s ASP 158 Ca 0.00 2.72 -0.23 0.00 0.71 0.00 0.00 52.55 55.75 3kl9 s ASP 158 Cb 0.00 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 41.19 3kl9 s ASP 158 CO 0.00 -0.66 0.95 0.28 0.21 0.00 0.00 175.17 175.94 3kl9 s THR 159 N -0.55 4.31 -0.17 -1.27 -1.32 -1.25 -1.27 115.64 114.12 3kl9 s THR 159 Ca 0.55 1.64 -0.01 0.00 -1.21 0.00 0.00 61.69 62.66 3kl9 s THR 159 Cb -0.42 -3.79 0.05 0.00 -1.51 0.00 0.00 72.50 66.83 3kl9 s THR 159 CO 0.49 -0.10 -0.02 -0.63 -2.21 0.00 0.00 174.62 172.15 3kl9 s ILE 160 N -1.91 0.90 -0.14 5.08 1.01 0.11 -0.81 121.20 125.43 3kl9 s ILE 160 Ca 0.56 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 3kl9 s ILE 160 Cb -0.13 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 3kl9 s ILE 160 CO 0.18 0.03 -0.09 -0.69 0.00 0.00 0.00 174.94 174.37 3kl9 s VAL 161 N 1.71 3.44 0.26 2.92 1.01 0.50 -0.91 120.40 129.34 3kl9 s VAL 161 Ca 0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 3kl9 s VAL 161 Cb -0.16 -2.48 -0.15 0.00 0.00 0.00 0.00 36.38 33.59 3kl9 s VAL 161 CO -0.07 0.51 0.66 -2.65 0.00 0.00 0.00 175.10 173.55 3kl9 n PRO 162 N 3.51 0.50 -3.84 2.72 -0.02 -1.26 0.22 135.00 136.83 3kl9 n PRO 162 Ca -0.18 0.18 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 3kl9 n PRO 162 Cb 0.53 -1.33 -0.13 0.00 -0.02 0.00 0.00 33.50 32.55 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 -0.85 5.11 -0.11 2.55 2.15 -0.33 -4.60 116.67 120.58 3kl9 s ASP 163 Ca 0.62 -1.85 -0.08 0.00 0.43 0.00 0.00 52.55 51.67 3kl9 s ASP 163 Cb -0.80 -1.78 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 3kl9 s ASP 163 CO 0.58 -0.45 0.28 -0.55 -0.17 0.00 0.00 175.17 174.86 3kl9 s SER 164 N 1.56 -0.30 0.74 -0.34 0.15 -1.26 -4.64 113.70 109.61 3kl9 s SER 164 Ca 0.05 0.57 -0.10 0.00 0.70 0.00 0.00 55.95 57.17 3kl9 s SER 164 Cb -0.21 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.68 3kl9 s SER 164 CO -0.04 -0.12 1.10 -0.94 1.20 0.00 0.00 173.24 174.44 3kl9 s SER 165 N 0.56 4.88 -0.19 5.45 1.04 -1.26 -4.51 113.70 119.67 3kl9 s SER 165 Ca -0.03 0.78 -0.07 0.00 0.48 0.00 0.00 55.95 57.11 3kl9 s SER 165 Cb -0.05 -1.42 -0.04 0.00 0.10 0.00 0.00 66.02 64.62 3kl9 s SER 165 CO -0.03 -1.63 0.05 0.00 0.98 0.00 0.00 173.24 172.60 3kl9 s ALA 166 N -3.40 3.28 0.05 5.32 0.00 -1.26 -4.27 121.76 121.48 3kl9 s ALA 166 Ca 0.60 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.73 3kl9 s ALA 166 Cb -0.11 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 3kl9 s ALA 166 CO 0.48 0.02 -0.09 0.96 0.00 0.00 0.00 175.76 177.13 3kl9 s ILE 167 N 0.68 0.68 0.45 0.00 -4.36 0.07 -4.96 121.20 113.76 3kl9 s ILE 167 Ca 0.02 -1.19 -0.23 0.00 -0.26 0.00 0.00 60.65 58.98 3kl9 s ILE 167 Cb -0.13 -0.79 -0.07 0.00 1.25 0.00 0.00 42.46 42.71 3kl9 s ILE 167 CO 0.02 -0.39 1.19 -0.76 0.24 0.00 0.00 174.94 175.25 3kl9 s LEU 168 N -1.73 4.05 0.69 0.37 1.02 -1.26 -1.03 118.68 120.79 3kl9 s LEU 168 Ca -0.07 2.38 -0.11 0.00 0.02 0.00 0.00 54.13 56.36 3kl9 s LEU 168 Cb -0.09 -4.18 0.01 0.00 0.02 0.00 0.00 46.19 41.96 3kl9 s LEU 168 CO 0.00 -0.92 1.08 0.42 0.02 0.00 0.00 176.35 176.95 3kl9 s THR 169 N -1.48 3.53 0.27 5.49 -4.23 -0.84 -4.80 115.64 113.58 3kl9 s THR 169 Ca 0.62 0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 61.57 3kl9 s THR 169 Cb -0.31 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 70.33 3kl9 s THR 169 CO 0.38 -0.62 1.66 0.00 -0.54 0.00 0.00 174.62 175.49 3kl9 h ALA 170 N -0.60 1.14 -0.02 3.99 0.00 -1.97 0.92 119.26 122.72 3kl9 h ALA 170 Ca -0.45 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kl9 h ALA 170 Cb 1.25 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3kl9 h ALA 170 CO 0.63 -0.41 0.00 0.27 0.00 0.00 0.00 179.25 179.75 3kl9 n ASN 171 N -5.20 0.78 -0.40 0.00 0.23 -1.26 -4.90 115.26 104.51 3kl9 n ASN 171 Ca 0.18 -1.30 -0.05 0.00 -0.53 0.00 0.00 54.58 52.88 3kl9 n ASN 171 Cb 0.59 -0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 38.26 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 -0.37 -1.50 -0.03 -3.83 1.02 0.32 -4.81 120.64 111.44 3kl9 n GLU 172 Ca 0.21 0.62 -0.02 0.00 -0.02 0.00 0.00 57.16 57.94 3kl9 n GLU 172 Cb 0.23 -4.84 -0.13 0.00 -0.02 0.00 0.00 31.44 26.68 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 -0.58 0.65 -4.45 3.49 4.76 -1.26 -4.92 118.16 115.85 3kl9 n LYS 173 Ca -0.05 0.06 -0.29 0.00 -2.87 0.00 0.00 58.31 55.16 3kl9 n LYS 173 Cb 0.45 -1.64 -0.08 0.00 -1.84 0.00 0.00 35.03 31.92 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 -5.45 4.19 -0.01 4.39 0.01 -1.26 -2.32 114.94 114.49 3kl9 s ASN 174 Ca -0.07 -1.37 0.02 0.00 -0.71 0.00 0.00 52.86 50.73 3kl9 s ASN 174 Cb 0.09 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.72 3kl9 s ASN 174 CO 0.84 -0.68 -0.06 -0.63 -1.51 0.00 0.00 177.10 175.06 3kl9 s ILE 175 N -2.74 0.49 -0.20 0.60 1.01 0.68 -1.98 121.20 119.06 3kl9 s ILE 175 Ca 0.27 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 3kl9 s ILE 175 Cb 0.04 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 3kl9 s ILE 175 CO 0.15 0.16 0.06 -0.63 0.00 0.00 0.00 174.94 174.68 3kl9 s ILE 176 N 0.09 4.64 0.17 2.92 1.01 -0.19 -1.75 121.20 128.08 3kl9 s ILE 176 Ca -0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 3kl9 s ILE 176 Cb -0.05 -3.11 0.06 0.00 0.01 0.00 0.00 42.46 39.37 3kl9 s ILE 176 CO -0.00 0.42 0.93 -0.94 0.00 0.00 0.00 174.94 175.35 3kl9 s SER 177 N 0.74 -0.18 0.65 3.58 1.04 -0.60 -0.75 113.70 118.17 3kl9 s SER 177 Ca 0.03 -0.44 -0.08 0.00 0.48 0.00 0.00 55.95 55.94 3kl9 s SER 177 Cb -0.13 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.52 3kl9 s SER 177 CO 0.02 -0.97 0.99 -1.59 0.98 0.00 0.00 173.24 172.68 3kl9 s LYS 178 N -3.34 2.87 -1.33 4.02 -2.85 -1.19 -0.67 119.74 117.24 3kl9 s LYS 178 Ca 0.12 0.20 -0.05 0.00 -1.00 0.00 0.00 55.97 55.24 3kl9 s LYS 178 Cb -0.02 -2.15 0.03 0.00 -2.06 0.00 0.00 37.83 33.63 3kl9 s LYS 178 CO 0.03 -0.87 0.37 0.00 0.10 0.00 0.00 175.35 174.98 3kl9 n ALA 179 N -2.79 -0.94 0.22 0.59 0.00 -1.26 -4.81 120.51 111.52 3kl9 n ALA 179 Ca 0.06 0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.72 3kl9 n ALA 179 Cb 0.57 -2.73 0.53 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.78 0.00 -3.57 0.00 -0.00 -1.93 -2.15 115.95 107.51 3kl9 h TRP 180 Ca -0.43 0.00 -0.64 0.00 -0.00 0.00 0.00 58.89 57.82 3kl9 h TRP 180 Cb 1.30 0.00 -0.14 0.00 -0.00 0.00 0.00 29.16 30.32 3kl9 h TRP 180 CO 0.63 0.22 0.26 0.34 -0.00 0.00 0.00 178.44 179.89 3kl9 s ASP 181 N -6.68 6.36 -0.27 2.65 2.15 -1.26 -1.73 116.67 117.89 3kl9 s ASP 181 Ca -0.03 -0.26 0.13 0.00 0.43 0.00 0.00 52.55 52.82 3kl9 s ASP 181 Cb 0.14 -2.36 0.47 0.00 -0.30 0.00 0.00 42.92 40.88 3kl9 s ASP 181 CO 0.67 -0.88 1.17 -3.20 -0.17 0.00 0.00 175.17 172.76 3kl9 n ASN 182 N 6.54 3.61 0.31 -0.34 4.05 -1.22 -4.69 115.26 123.52 3kl9 n ASN 182 Ca 0.00 -3.19 0.19 0.00 0.45 0.00 0.00 54.58 52.04 3kl9 n ASN 182 Cb 0.48 -0.39 0.97 0.00 1.23 0.00 0.00 39.78 42.06 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 2.20 0.00 -0.24 1.20 2.47 -1.23 -1.19 114.38 117.59 3kl9 h ARG 183 Ca 0.18 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.93 3kl9 h ARG 183 Cb 1.44 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.70 3kl9 h ARG 183 CO 0.52 0.02 -0.44 -0.92 0.56 0.00 0.00 179.97 179.70 3kl9 h TYR 184 N 0.00 -1.34 -0.51 3.04 5.03 -1.54 -0.59 116.97 121.05 3kl9 h TYR 184 Ca -0.00 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 3kl9 h TYR 184 Cb 0.22 0.62 -0.03 0.00 1.55 0.00 0.00 36.73 39.09 3kl9 h TYR 184 CO 0.00 -0.41 0.30 0.78 -1.32 0.00 0.00 178.16 177.51 3kl9 h GLY 185 N -0.38 0.74 0.96 1.82 0.00 -1.44 0.13 103.07 104.91 3kl9 h GLY 185 Ca 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3kl9 h GLY 185 CO -0.43 0.30 -0.06 -2.08 0.00 0.00 0.00 176.54 174.27 3kl9 h VAL 186 N 0.71 0.91 -0.33 4.60 2.07 -1.11 0.13 116.25 123.22 3kl9 h VAL 186 Ca 0.18 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3kl9 h VAL 186 Cb -0.01 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3kl9 h VAL 186 CO -0.03 0.02 0.10 0.25 0.02 0.00 0.00 177.57 177.92 3kl9 h LEU 187 N -0.19 0.48 -0.63 2.57 6.46 -0.68 -1.30 115.31 122.01 3kl9 h LEU 187 Ca -0.02 -0.21 0.12 0.00 -0.12 0.00 0.00 57.88 57.66 3kl9 h LEU 187 Cb 0.15 -0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 39.86 3kl9 h LEU 187 CO 0.03 0.57 0.13 -0.03 -0.62 0.00 0.00 178.44 178.51 3kl9 h MET 188 N 0.37 0.24 -0.37 1.25 4.05 -0.61 0.39 114.93 120.25 3kl9 h MET 188 Ca 0.10 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 3kl9 h MET 188 Cb 0.26 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 3kl9 h MET 188 CO -0.00 0.16 0.00 0.28 0.23 0.00 0.00 176.91 177.58 3kl9 h VAL 189 N 0.25 1.26 -0.82 -5.77 2.07 -0.57 -1.90 116.25 110.77 3kl9 h VAL 189 Ca 0.34 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3kl9 h VAL 189 Cb 0.52 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3kl9 h VAL 189 CO -0.44 0.33 0.49 -1.28 0.02 0.00 0.00 177.57 176.69 3kl9 h SER 190 N 0.46 0.99 0.19 0.57 0.87 -0.34 -2.34 113.55 113.94 3kl9 h SER 190 Ca 0.10 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 3kl9 h SER 190 Cb 0.46 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3kl9 h SER 190 CO 0.02 0.77 -0.32 -0.33 -0.53 0.00 0.00 176.83 176.44 3kl9 h GLU 191 N 1.12 0.20 0.25 2.24 4.39 -0.20 -3.07 114.58 119.51 3kl9 h GLU 191 Ca 0.29 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 3kl9 h GLU 191 Cb -0.03 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3kl9 h GLU 191 CO -0.05 0.50 -0.12 1.25 -1.16 0.00 0.00 179.01 179.43 3kl9 h LEU 192 N 0.18 -0.28 -0.63 1.33 6.46 -0.88 -1.73 115.31 119.76 3kl9 h LEU 192 Ca 0.02 -0.12 0.12 0.00 -0.12 0.00 0.00 57.88 57.79 3kl9 h LEU 192 Cb 0.65 0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.56 3kl9 h LEU 192 CO 0.05 -0.04 0.11 0.00 -0.62 0.00 0.00 178.44 177.93 3kl9 h ALA 193 N 0.18 0.73 -0.32 1.25 0.00 -1.40 -1.07 119.26 118.63 3kl9 h ALA 193 Ca -0.03 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kl9 h ALA 193 Cb 0.39 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kl9 h ALA 193 CO 0.06 -0.33 0.14 1.49 0.00 0.00 0.00 179.25 180.60 3kl9 h GLU 194 N 0.23 0.48 0.00 0.00 4.81 -1.49 -1.35 114.58 117.26 3kl9 h GLU 194 Ca 0.33 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3kl9 h GLU 194 Cb 0.52 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3kl9 h GLU 194 CO -0.45 0.47 -0.15 0.00 -0.73 0.00 0.00 179.01 178.15 3kl9 h ALA 195 N 0.98 1.18 -0.03 2.92 0.00 -0.58 -2.86 119.26 120.88 3kl9 h ALA 195 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kl9 h ALA 195 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kl9 h ALA 195 CO -0.01 0.18 -0.05 1.28 0.00 0.00 0.00 179.25 180.65 3kl9 n LEU 196 N -3.53 2.72 -0.22 0.00 4.32 -0.47 -4.68 117.00 115.13 3kl9 n LEU 196 Ca -0.01 -0.97 0.03 0.00 -0.02 0.00 0.00 56.01 55.03 3kl9 n LEU 196 Cb 0.30 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 42.22 3kl9 n LEU 196 CO 0.31 0.46 0.85 -1.28 -1.22 0.00 0.00 177.39 176.51 3kl9 h SER 197 N 4.06 -0.23 0.07 -1.43 0.87 -1.01 -2.74 113.55 113.15 3kl9 h SER 197 Ca 0.00 0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 3kl9 h SER 197 Cb 0.89 0.27 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 3kl9 h SER 197 CO 0.00 -0.11 -0.45 1.23 -0.53 0.00 0.00 176.83 176.97 3kl9 h GLY 198 N 0.14 0.21 -3.12 5.77 0.00 -1.83 -3.48 103.07 100.76 3kl9 h GLY 198 Ca 0.36 -0.50 -0.58 0.00 0.00 0.00 0.00 47.33 46.61 3kl9 h GLY 198 CO -0.55 0.44 -0.70 -1.06 0.00 0.00 0.00 176.54 174.67 3kl9 n GLN 199 N -4.34 0.26 -4.93 4.80 1.13 -1.03 -5.04 117.38 108.23 3kl9 n GLN 199 Ca -0.12 0.11 -0.33 0.00 -1.94 0.00 0.00 57.00 54.73 3kl9 n GLN 199 Cb 0.66 -1.52 -0.15 0.00 0.11 0.00 0.00 30.24 29.34 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 -2.08 2.99 0.24 -1.09 -2.85 -1.26 -5.04 119.74 110.64 3kl9 s LYS 200 Ca 0.62 -0.74 0.08 0.00 -1.00 0.00 0.00 55.97 54.93 3kl9 s LYS 200 Cb -0.40 -2.46 -0.04 0.00 -2.06 0.00 0.00 37.83 32.87 3kl9 s LYS 200 CO 0.61 0.35 0.09 -0.51 0.10 0.00 0.00 175.35 175.99 3kl9 s LEU 201 N -0.03 3.53 0.00 2.77 1.43 -1.26 -5.01 118.68 120.11 3kl9 s LEU 201 Ca -0.04 -0.41 0.21 0.00 -1.03 0.00 0.00 54.13 52.85 3kl9 s LEU 201 Cb -0.14 -2.07 1.22 0.00 0.03 0.00 0.00 46.19 45.23 3kl9 s LEU 201 CO 0.04 -0.00 1.74 0.61 0.23 0.00 0.00 176.35 178.97 3kl9 n GLY 202 N -0.89 -0.92 3.14 -3.19 0.00 -1.26 -4.46 105.19 97.60 3kl9 n GLY 202 Ca -0.08 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.72 1.33 -0.77 1.61 2.20 -1.21 -4.09 114.94 112.28 3kl9 s ASN 203 Ca 0.31 -0.67 -0.25 0.00 -0.94 0.00 0.00 52.86 51.31 3kl9 s ASN 203 Cb 0.14 0.00 0.04 0.00 -2.00 0.00 0.00 41.25 39.44 3kl9 s ASN 203 CO 0.24 -0.19 1.24 -0.70 -2.94 0.00 0.00 177.10 174.75 3kl9 s GLU 204 N -2.09 3.25 -0.14 3.55 2.56 -0.09 -4.27 118.70 121.48 3kl9 s GLU 204 Ca -0.02 -0.55 -0.24 0.00 0.00 0.00 0.00 54.97 54.17 3kl9 s GLU 204 Cb -0.07 -4.39 -0.02 0.00 2.00 0.00 0.00 34.13 31.64 3kl9 s GLU 204 CO 0.01 -2.08 0.76 -1.17 -0.56 0.00 0.00 175.26 172.21 3kl9 s LEU 205 N 5.18 4.21 -0.22 2.70 2.96 -0.91 -1.42 118.68 131.18 3kl9 s LEU 205 Ca 0.34 1.12 -0.04 0.00 -0.22 0.00 0.00 54.13 55.33 3kl9 s LEU 205 Cb -0.08 -3.13 -0.01 0.00 0.50 0.00 0.00 46.19 43.47 3kl9 s LEU 205 CO 0.09 -0.29 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.48 3kl9 s TYR 206 N 1.68 2.95 -0.16 5.38 1.51 0.10 -1.10 117.35 127.72 3kl9 s TYR 206 Ca 0.36 -0.99 -0.01 0.00 -1.01 0.00 0.00 57.07 55.42 3kl9 s TYR 206 Cb -0.17 -2.10 0.04 0.00 -0.11 0.00 0.00 41.96 39.62 3kl9 s TYR 206 CO 0.14 -0.57 -0.05 -1.17 -1.11 0.00 0.00 175.55 172.79 3kl9 s LEU 207 N 1.46 1.49 0.00 -1.29 0.20 -0.40 -0.30 118.68 119.85 3kl9 s LEU 207 Ca 0.06 -0.60 0.00 0.00 0.69 0.00 0.00 54.13 54.27 3kl9 s LEU 207 Cb -0.14 -0.87 0.00 0.00 -0.43 0.00 0.00 46.19 44.75 3kl9 s LEU 207 CO -0.04 -0.18 0.00 0.61 -0.29 0.00 0.00 176.35 176.45 3kl9 n GLY 208 N 4.90 1.08 2.98 7.98 0.00 -0.81 0.16 105.19 121.48 3kl9 n GLY 208 Ca -0.12 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 0.12 0.95 1.61 0.15 -0.79 -1.91 113.70 115.83 3kl9 s SER 209 Ca 0.00 0.46 -0.12 0.00 0.70 0.00 0.00 55.95 57.00 3kl9 s SER 209 Cb 0.00 0.42 0.16 0.00 -1.71 0.00 0.00 66.02 64.89 3kl9 s SER 209 CO 0.00 -0.20 1.09 0.20 1.20 0.00 0.00 173.24 175.53 3kl9 s ASN 210 N 1.74 2.98 0.05 5.45 0.01 0.96 -3.31 114.94 122.83 3kl9 s ASN 210 Ca -0.04 1.51 0.02 0.00 -0.71 0.00 0.00 52.86 53.64 3kl9 s ASN 210 Cb -0.11 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 3kl9 s ASN 210 CO -0.08 -2.95 0.09 0.54 -1.51 0.00 0.00 177.10 173.19 3kl9 s VAL 211 N -2.85 4.67 -1.44 1.60 0.11 -1.26 -1.67 120.40 119.56 3kl9 s VAL 211 Ca 0.65 -0.62 -0.10 0.00 -2.93 0.00 0.00 61.98 58.98 3kl9 s VAL 211 Cb -0.19 -3.21 0.04 0.00 -1.53 0.00 0.00 36.38 31.48 3kl9 s VAL 211 CO 0.58 0.20 1.04 0.00 -3.33 0.00 0.00 175.10 173.59 3kl9 n GLN 212 N 0.68 -6.76 -0.05 1.54 6.02 -1.26 -1.30 117.38 116.26 3kl9 n GLN 212 Ca -0.10 0.76 -0.12 0.00 -0.01 0.00 0.00 57.00 57.53 3kl9 n GLN 212 Cb 0.52 -5.73 0.01 0.00 1.02 0.00 0.00 30.24 26.06 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 -2.32 0.75 0.00 -1.09 4.22 -1.91 -2.39 114.58 111.84 3kl9 h GLU 213 Ca -0.56 -0.44 -0.02 0.00 0.08 0.00 0.00 59.36 58.41 3kl9 h GLU 213 Cb 1.37 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 3kl9 h GLU 213 CO 0.60 1.07 -0.10 0.93 -2.18 0.00 0.00 179.01 179.33 3kl9 h GLU 214 N 0.59 0.00 -0.55 1.92 4.39 -1.90 -0.77 114.58 118.26 3kl9 h GLU 214 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3kl9 h GLU 214 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3kl9 h GLU 214 CO 0.11 0.10 0.00 1.33 -1.16 0.00 0.00 179.01 179.38 3kl9 n VAL 215 N -3.49 1.16 0.00 3.13 0.24 -1.24 -4.19 118.33 113.94 3kl9 n VAL 215 Ca -0.01 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.22 3kl9 n VAL 215 Cb 0.24 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 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 1.05 0.12 3.86 7.63 0.00 -1.01 -4.89 105.19 111.96 3kl9 n GLY 216 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.71 0.11 0.99 4.77 -0.33 -4.90 117.00 114.93 3kl9 n LEU 217 Ca 0.00 -0.75 -0.13 0.00 -0.03 0.00 0.00 56.01 55.10 3kl9 n LEU 217 Cb 0.00 -2.63 -0.08 0.00 -2.33 0.00 0.00 43.42 38.38 3kl9 n LEU 217 CO 0.00 0.49 0.57 0.03 -1.33 0.00 0.00 177.39 177.15 3kl9 h ARG 218 N -2.16 -0.28 -0.10 3.23 2.47 -1.62 -2.97 114.38 112.95 3kl9 h ARG 218 Ca -0.58 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.19 3kl9 h ARG 218 Cb 1.37 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.75 3kl9 h ARG 218 CO 0.65 0.07 0.08 0.78 0.56 0.00 0.00 179.97 182.10 3kl9 h GLY 219 N -0.67 0.00 0.83 0.04 0.00 -1.37 -2.28 103.07 99.62 3kl9 h GLY 219 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.35 3kl9 h GLY 219 CO 0.05 0.00 0.65 0.00 0.00 0.00 0.00 176.54 177.24 3kl9 h ALA 220 N 1.95 1.37 -0.31 3.60 0.00 -1.73 -0.37 119.26 123.77 3kl9 h ALA 220 Ca 0.05 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3kl9 h ALA 220 Cb 0.20 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3kl9 h ALA 220 CO -0.00 0.51 -0.11 0.45 0.00 0.00 0.00 179.25 180.10 3kl9 h HIS 221 N 1.23 -0.25 0.14 0.00 -0.00 -1.41 -2.87 115.15 111.98 3kl9 h HIS 221 Ca 0.41 0.03 -0.20 0.00 -0.00 0.00 0.00 60.37 60.61 3kl9 h HIS 221 Cb 0.07 0.16 0.02 0.00 -0.00 0.00 0.00 27.41 27.66 3kl9 h HIS 221 CO -0.00 -0.18 -0.91 1.79 -0.00 0.00 0.00 177.93 178.63 3kl9 h THR 222 N -0.05 1.43 -0.16 2.45 1.35 -1.39 -2.79 112.91 113.75 3kl9 h THR 222 Ca 0.15 -2.51 -0.02 0.00 -0.55 0.00 0.00 66.41 63.48 3kl9 h THR 222 Cb 0.28 3.12 -0.01 0.00 -1.73 0.00 0.00 68.15 69.82 3kl9 h THR 222 CO -0.34 0.71 0.04 0.77 -0.25 0.00 0.00 175.52 176.44 3kl9 h SER 223 N -0.37 0.25 -0.51 5.36 4.64 -1.21 -1.17 113.55 120.53 3kl9 h SER 223 Ca -0.17 -0.24 0.02 0.00 -0.47 0.00 0.00 61.79 60.93 3kl9 h SER 223 Cb 1.66 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.65 3kl9 h SER 223 CO 0.13 0.42 0.32 0.74 -0.87 0.00 0.00 176.83 177.57 3kl9 h THR 224 N 0.06 1.08 -0.58 2.95 2.02 -1.63 0.35 112.91 117.17 3kl9 h THR 224 Ca 0.05 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 3kl9 h THR 224 Cb 0.27 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3kl9 h THR 224 CO 0.00 0.12 0.11 0.74 0.37 0.00 0.00 175.52 176.86 3kl9 h THR 225 N 0.64 1.24 -0.18 3.16 2.02 -1.46 -1.88 112.91 116.45 3kl9 h THR 225 Ca 0.20 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 66.38 3kl9 h THR 225 Cb -0.02 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3kl9 h THR 225 CO -0.07 0.34 -0.22 0.50 0.37 0.00 0.00 175.52 176.44 3kl9 h LYS 226 N 0.88 0.47 -0.02 6.66 3.64 -0.48 -3.31 116.57 124.41 3kl9 h LYS 226 Ca 0.18 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3kl9 h LYS 226 Cb 0.36 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3kl9 h LYS 226 CO 0.00 0.85 -0.19 1.19 -2.27 0.00 0.00 179.45 179.03 3kl9 n PHE 227 N -4.44 0.00 -4.06 1.91 0.99 0.04 -5.00 117.46 106.91 3kl9 n PHE 227 Ca -0.06 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.05 3kl9 n PHE 227 Cb 0.42 -0.02 -0.02 0.00 -1.00 0.00 0.00 39.48 38.86 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 0.40 -1.71 -4.83 4.37 4.64 -0.71 -4.93 116.55 113.77 3kl9 n ASP 228 Ca 0.13 -1.17 -0.31 0.00 -1.38 0.00 0.00 54.79 52.06 3kl9 n ASP 228 Cb 0.48 -2.28 0.05 0.00 -1.04 0.00 0.00 41.12 38.32 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 -6.97 2.92 -0.05 -0.67 0.04 -1.26 -4.84 135.00 124.17 3kl9 s PRO 229 Ca 0.21 0.83 0.06 0.00 0.04 0.00 0.00 61.00 62.14 3kl9 s PRO 229 Cb -0.10 -2.00 -0.24 0.00 0.04 0.00 0.00 34.50 32.20 3kl9 s PRO 229 CO 0.94 -1.08 0.63 0.93 0.04 0.00 0.00 177.00 178.47 3kl9 h GLU 230 N -0.70 0.09 -4.37 4.56 5.08 -1.24 -3.46 114.58 114.55 3kl9 h GLU 230 Ca -0.44 -0.16 -0.34 0.00 -1.00 0.00 0.00 59.36 57.42 3kl9 h GLU 230 Cb 1.22 0.06 -0.28 0.00 0.50 0.00 0.00 28.75 30.24 3kl9 h GLU 230 CO 0.59 0.75 -0.76 0.08 -1.00 0.00 0.00 179.01 178.67 3kl9 s VAL 231 N -2.59 0.46 -0.04 3.13 1.01 -1.22 -3.90 120.40 117.25 3kl9 s VAL 231 Ca -0.09 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.68 3kl9 s VAL 231 Cb 0.08 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 3kl9 s VAL 231 CO 0.81 0.13 -0.17 0.12 0.00 0.00 0.00 175.10 176.00 3kl9 s PHE 232 N -0.13 1.68 -0.18 5.22 2.19 -0.64 -1.78 117.98 124.35 3kl9 s PHE 232 Ca 0.02 -0.48 0.01 0.00 0.33 0.00 0.00 56.93 56.80 3kl9 s PHE 232 Cb -0.02 -1.13 0.03 0.00 -1.31 0.00 0.00 43.02 40.58 3kl9 s PHE 232 CO -0.00 -0.17 -0.15 -0.51 1.83 0.00 0.00 175.22 176.22 3kl9 s LEU 233 N 0.07 2.05 0.22 6.12 1.02 0.87 -2.64 118.68 126.39 3kl9 s LEU 233 Ca -0.04 -0.67 -0.13 0.00 0.02 0.00 0.00 54.13 53.31 3kl9 s LEU 233 Cb -0.12 -1.32 -0.08 0.00 0.02 0.00 0.00 46.19 44.70 3kl9 s LEU 233 CO 0.02 -0.06 0.60 0.00 0.02 0.00 0.00 176.35 176.93 3kl9 s ALA 234 N 1.38 3.51 -0.26 4.21 0.00 0.63 -0.73 121.76 130.51 3kl9 s ALA 234 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.86 3kl9 s ALA 234 Cb -0.14 -2.55 0.07 0.00 0.00 0.00 0.00 23.12 20.50 3kl9 s ALA 234 CO -0.11 0.45 -0.03 0.08 0.00 0.00 0.00 175.76 176.15 3kl9 s VAL 235 N -1.74 1.62 0.16 0.00 1.01 -0.03 0.51 120.40 121.95 3kl9 s VAL 235 Ca 0.46 -1.42 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 3kl9 s VAL 235 Cb -0.12 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.32 3kl9 s VAL 235 CO 0.20 -0.21 0.35 -0.62 0.00 0.00 0.00 175.10 174.82 3kl9 s ASP 236 N 1.33 -0.06 0.13 3.32 3.68 -1.13 -4.14 116.67 119.80 3kl9 s ASP 236 Ca -0.03 -0.69 0.11 0.00 2.13 0.00 0.00 52.55 54.07 3kl9 s ASP 236 Cb -0.19 0.47 -0.04 0.00 -1.45 0.00 0.00 42.92 41.71 3kl9 s ASP 236 CO -0.08 -0.92 -0.26 0.00 0.13 0.00 0.00 175.17 174.04 3kl9 s SER 238 N -2.10 2.66 0.41 0.00 0.01 -0.78 -4.86 113.70 109.03 3kl9 s SER 238 Ca 0.14 -1.17 -0.27 0.00 1.31 0.00 0.00 55.95 55.96 3kl9 s SER 238 Cb -0.10 -0.15 -0.10 0.00 0.21 0.00 0.00 66.02 65.88 3kl9 s SER 238 CO 0.06 -0.34 1.45 -2.65 0.41 0.00 0.00 173.24 172.18 3kl9 n PRO 239 N -0.55 2.47 -3.19 12.44 -0.02 -1.26 -0.40 135.00 144.49 3kl9 n PRO 239 Ca -0.06 0.87 -0.39 0.00 -2.02 0.00 0.00 63.50 61.90 3kl9 n PRO 239 Cb 0.63 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 3kl9 n PRO 239 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kl9 s ALA 240 N -1.15 3.46 -0.13 3.55 0.00 -0.12 -4.49 121.76 122.88 3kl9 s ALA 240 Ca 0.57 -0.15 0.20 0.00 0.00 0.00 0.00 51.96 52.57 3kl9 s ALA 240 Cb -0.47 -2.82 -0.18 0.00 0.00 0.00 0.00 23.12 19.65 3kl9 s ALA 240 CO 0.61 -0.21 0.67 0.41 0.00 0.00 0.00 175.76 177.24 3kl9 n GLY 241 N 3.43 -1.18 0.31 0.00 0.00 -0.22 -4.65 105.19 102.88 3kl9 n GLY 241 Ca -0.04 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.84 3kl9 n GLY 241 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kl9 n ASP 242 N -2.65 -0.09 0.24 1.61 5.68 0.20 0.07 116.55 121.61 3kl9 n ASP 242 Ca -0.09 1.55 0.15 0.00 -0.50 0.00 0.00 54.79 55.90 3kl9 n ASP 242 Cb 0.75 -0.57 0.52 0.00 -1.14 0.00 0.00 41.12 40.67 3kl9 n ASP 242 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3kl9 h VAL 243 N 0.00 0.00 -0.43 2.12 3.04 -1.86 -1.85 116.25 117.26 3kl9 h VAL 243 Ca 0.56 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 3kl9 h VAL 243 Cb 1.18 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 3kl9 h VAL 243 CO -0.85 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 174.49 3kl9 n TYR 244 N -2.96 0.65 -0.40 3.17 4.02 0.11 -4.95 117.16 116.79 3kl9 n TYR 244 Ca 0.02 -0.53 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 3kl9 n TYR 244 Cb 0.36 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 3kl9 n TYR 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kl9 n GLY 245 N 0.70 2.00 0.58 2.72 0.00 -0.70 -5.03 105.19 105.47 3kl9 n GLY 245 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.09 3.96 -0.02 0.00 -0.62 -4.87 105.19 99.55 3kl9 n GLY 246 Ca 0.00 -1.52 -0.20 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.42 3.22 0.00 1.61 -2.07 -1.26 -3.18 119.66 114.56 3kl9 s GLN 247 Ca 0.12 -0.92 0.00 0.00 -1.82 0.00 0.00 55.36 52.73 3kl9 s GLN 247 Cb -0.01 -2.81 0.00 0.00 -1.09 0.00 0.00 33.01 29.10 3kl9 s GLN 247 CO 0.09 0.25 0.00 0.41 -1.32 0.00 0.00 175.29 174.71 3kl9 n GLY 248 N -1.49 -0.18 2.90 2.60 0.00 -1.26 -1.17 105.19 106.58 3kl9 n GLY 248 Ca -0.05 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.25 1.09 0.11 1.61 2.20 -1.26 -0.63 119.74 120.61 3kl9 s LYS 249 Ca 0.00 -0.15 -0.32 0.00 -0.36 0.00 0.00 55.97 55.14 3kl9 s LYS 249 Cb 0.00 -1.12 -0.12 0.00 -1.51 0.00 0.00 37.83 35.09 3kl9 s LYS 249 CO 0.00 -0.14 1.79 -0.89 -0.36 0.00 0.00 175.35 175.75 3kl9 n ILE 250 N 4.39 0.30 -0.22 5.43 -0.00 -1.26 -1.90 119.36 126.09 3kl9 n ILE 250 Ca -0.19 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.51 3kl9 n ILE 250 Cb 0.51 -1.97 0.00 0.00 -0.00 0.00 0.00 39.64 38.17 3kl9 n ILE 250 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3kl9 n GLY 251 N 4.09 1.13 1.92 7.39 0.00 -1.26 -4.92 105.19 113.54 3kl9 n GLY 251 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 4.32 -0.30 1.61 9.92 -0.80 -4.87 116.55 126.43 3kl9 n ASP 252 Ca 0.00 -3.20 0.01 0.00 -0.53 0.00 0.00 54.79 51.06 3kl9 n ASP 252 Cb 0.00 -0.81 -0.00 0.00 -0.64 0.00 0.00 41.12 39.67 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 -0.57 -1.82 3.83 0.44 0.00 -1.26 -3.46 105.19 102.35 3kl9 n GLY 253 Ca 0.43 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.16 4.13 -0.16 2.61 -1.32 -0.85 -4.54 115.64 115.36 3kl9 s THR 254 Ca 0.00 0.77 -0.08 0.00 -1.21 0.00 0.00 61.69 61.17 3kl9 s THR 254 Cb 0.00 -3.49 -0.04 0.00 -1.51 0.00 0.00 72.50 67.45 3kl9 s THR 254 CO 0.00 -0.83 0.13 -0.76 -2.21 0.00 0.00 174.62 170.95 3kl9 s LEU 255 N -5.19 4.25 -0.71 9.08 1.43 -0.11 -0.81 118.68 126.63 3kl9 s LEU 255 Ca 0.59 0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 53.85 3kl9 s LEU 255 Cb -0.14 -2.06 0.14 0.00 0.03 0.00 0.00 46.19 44.16 3kl9 s LEU 255 CO 0.50 0.30 0.79 -0.63 0.23 0.00 0.00 176.35 177.54 3kl9 s ILE 256 N -0.37 4.99 -0.93 -0.59 -1.09 -0.17 -4.37 121.20 118.66 3kl9 s ILE 256 Ca 0.11 -1.45 -0.22 0.00 -2.23 0.00 0.00 60.65 56.86 3kl9 s ILE 256 Cb -0.12 -4.54 0.08 0.00 -1.58 0.00 0.00 42.46 36.30 3kl9 s ILE 256 CO 0.01 -1.17 1.29 -0.60 -1.23 0.00 0.00 174.94 173.24 3kl9 s ARG 257 N 2.09 3.51 0.17 2.79 3.52 -1.26 -1.47 118.95 128.31 3kl9 s ARG 257 Ca 0.16 -1.21 0.15 0.00 -0.13 0.00 0.00 55.73 54.70 3kl9 s ARG 257 Cb -0.18 -5.01 -0.04 0.00 -1.56 0.00 0.00 34.95 28.16 3kl9 s ARG 257 CO -0.00 -2.03 1.17 0.27 -0.81 0.00 0.00 175.30 173.90 3kl9 h PHE 258 N 9.50 0.00 -3.61 5.12 -5.15 -1.94 -3.41 116.94 117.45 3kl9 h PHE 258 Ca 0.10 0.00 -0.21 0.00 -0.20 0.00 0.00 57.97 57.66 3kl9 h PHE 258 Cb 1.02 0.00 -0.27 0.00 0.22 0.00 0.00 35.95 36.92 3kl9 h PHE 258 CO 1.20 0.58 -0.65 -0.47 -2.00 0.00 0.00 178.31 176.97 3kl9 s TYR 259 N -2.92 -0.05 0.14 6.09 6.14 -1.26 -2.47 117.35 123.03 3kl9 s TYR 259 Ca 0.01 0.12 -0.15 0.00 0.64 0.00 0.00 57.07 57.69 3kl9 s TYR 259 Cb 0.08 0.01 0.02 0.00 0.42 0.00 0.00 41.96 42.50 3kl9 s TYR 259 CO 0.78 -0.04 0.39 0.16 0.64 0.00 0.00 175.55 177.48 3kl9 s ASP 260 N -0.06 -0.16 0.43 4.32 1.47 -0.73 -1.14 116.67 120.80 3kl9 s ASP 260 Ca -0.01 -0.47 0.21 0.00 1.18 0.00 0.00 52.55 53.46 3kl9 s ASP 260 Cb -0.01 0.48 1.14 0.00 -0.34 0.00 0.00 42.92 44.19 3kl9 s ASP 260 CO 0.00 -0.90 1.59 -0.65 0.68 0.00 0.00 175.17 175.90 3kl9 h PRO 261 N 2.39 0.00 -0.01 2.11 0.11 -1.81 -1.58 132.00 133.21 3kl9 h PRO 261 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 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 0.46 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.66 3kl9 n GLY 262 N -1.26 -0.86 3.38 -0.55 0.00 -1.26 -5.05 105.19 99.60 3kl9 n GLY 262 Ca -0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.34 -0.71 -0.19 1.61 5.65 -0.59 -4.46 115.29 116.26 3kl9 s HIS 263 Ca 0.04 1.51 -0.05 0.00 0.25 0.00 0.00 55.06 56.81 3kl9 s HIS 263 Cb 0.03 0.35 -0.03 0.00 -1.18 0.00 0.00 32.58 31.75 3kl9 s HIS 263 CO 0.04 -0.38 0.01 -0.51 -0.65 0.00 0.00 174.74 173.25 3kl9 s LEU 264 N 1.28 3.36 -0.23 8.88 1.43 -1.26 -1.77 118.68 130.36 3kl9 s LEU 264 Ca -0.08 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 3kl9 s LEU 264 Cb -0.07 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3kl9 s LEU 264 CO -0.12 0.10 1.41 -0.22 0.23 0.00 0.00 176.35 177.75 3kl9 s LEU 265 N 0.78 3.99 0.41 1.79 2.96 -1.03 -4.92 118.68 122.66 3kl9 s LEU 265 Ca 0.01 1.52 -0.24 0.00 -0.22 0.00 0.00 54.13 55.20 3kl9 s LEU 265 Cb -0.14 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 3kl9 s LEU 265 CO 0.02 -1.05 1.07 -0.76 -1.32 0.00 0.00 176.35 174.32 3kl9 s LEU 266 N 4.39 4.10 0.25 -0.68 1.43 -1.26 -4.84 118.68 122.07 3kl9 s LEU 266 Ca 0.62 2.09 -0.03 0.00 -1.03 0.00 0.00 54.13 55.78 3kl9 s LEU 266 Cb -0.21 -4.21 0.49 0.00 0.03 0.00 0.00 46.19 42.29 3kl9 s LEU 266 CO 0.23 -0.59 1.72 -0.65 0.23 0.00 0.00 176.35 177.29 3kl9 h PRO 267 N 2.38 0.39 0.02 1.29 0.11 -1.94 0.17 132.00 134.42 3kl9 h PRO 267 Ca -0.49 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.63 3kl9 h PRO 267 Cb 1.22 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3kl9 h PRO 267 CO 0.62 0.26 -0.20 0.78 -0.21 0.00 0.00 178.00 179.25 3kl9 h GLY 268 N 0.40 -0.29 1.76 -0.55 0.00 -1.88 0.30 103.07 102.81 3kl9 h GLY 268 Ca 0.43 0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.94 3kl9 h GLY 268 CO -0.44 -0.18 -0.12 1.98 0.00 0.00 0.00 176.54 177.78 3kl9 h MET 269 N -0.33 0.29 -0.16 4.80 1.85 -1.55 -2.31 114.93 117.53 3kl9 h MET 269 Ca 0.05 -0.07 -0.05 0.00 -0.61 0.00 0.00 59.70 59.03 3kl9 h MET 269 Cb 0.40 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.38 3kl9 h MET 269 CO -0.17 0.42 -0.08 -0.22 -0.40 0.00 0.00 176.91 176.46 3kl9 h LYS 270 N 0.28 0.34 -0.63 0.39 3.64 -0.06 -1.02 116.57 119.51 3kl9 h LYS 270 Ca 0.06 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3kl9 h LYS 270 Cb 0.39 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 3kl9 h LYS 270 CO 0.02 0.66 0.37 -0.44 -2.27 0.00 0.00 179.45 177.79 3kl9 h ASP 271 N 0.02 0.57 -0.48 4.20 3.32 -0.23 -2.05 116.42 121.77 3kl9 h ASP 271 Ca 0.04 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3kl9 h ASP 271 Cb 0.55 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3kl9 h ASP 271 CO 0.02 0.39 0.12 0.15 -1.72 0.00 0.00 179.24 178.20 3kl9 h PHE 272 N 0.70 0.81 -0.21 4.55 3.57 -1.37 -0.67 116.94 124.33 3kl9 h PHE 272 Ca 0.27 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3kl9 h PHE 272 Cb 0.10 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3kl9 h PHE 272 CO -0.07 0.73 0.10 -0.07 -2.23 0.00 0.00 178.31 176.77 3kl9 h LEU 273 N 0.66 0.27 -0.40 0.59 3.38 -0.84 -1.27 115.31 117.70 3kl9 h LEU 273 Ca 0.15 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 3kl9 h LEU 273 Cb 0.33 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kl9 h LEU 273 CO 0.00 0.32 -0.60 -0.07 0.09 0.00 0.00 178.44 178.18 3kl9 h LEU 274 N 0.20 0.75 -0.24 1.67 3.38 -1.37 -1.14 115.31 118.56 3kl9 h LEU 274 Ca 0.07 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3kl9 h LEU 274 Cb 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3kl9 h LEU 274 CO -0.01 1.17 0.13 0.74 0.09 0.00 0.00 178.44 180.57 3kl9 h THR 275 N 0.50 1.01 -0.03 0.22 2.02 -1.07 -1.93 112.91 113.62 3kl9 h THR 275 Ca -0.00 -0.09 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 3kl9 h THR 275 Cb 1.18 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3kl9 h THR 275 CO 0.12 0.05 -0.62 0.74 0.37 0.00 0.00 175.52 176.18 3kl9 h THR 276 N 0.27 1.42 -0.38 3.16 2.02 -1.10 -1.99 112.91 116.32 3kl9 h THR 276 Ca 0.10 -2.07 -0.11 0.00 0.77 0.00 0.00 66.41 65.09 3kl9 h THR 276 Cb 0.01 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3kl9 h THR 276 CO -0.06 0.60 -0.19 0.00 0.37 0.00 0.00 175.52 176.25 3kl9 h ALA 277 N 1.28 0.53 -0.36 6.16 0.00 -1.12 -2.27 119.26 123.48 3kl9 h ALA 277 Ca -0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3kl9 h ALA 277 Cb 1.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3kl9 h ALA 277 CO 0.09 0.48 -0.35 1.49 0.00 0.00 0.00 179.25 180.96 3kl9 h GLU 278 N 0.59 0.83 0.00 0.00 4.57 -1.22 -0.36 114.58 118.98 3kl9 h GLU 278 Ca 0.08 -0.41 -0.08 0.00 -1.18 0.00 0.00 59.36 57.77 3kl9 h GLU 278 Cb 0.74 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 3kl9 h GLU 278 CO 0.06 1.05 -0.39 0.93 -1.18 0.00 0.00 179.01 179.48 3kl9 h GLU 279 N 0.69 0.00 -0.38 1.92 5.08 -1.39 -3.19 114.58 117.31 3kl9 h GLU 279 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kl9 h GLU 279 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3kl9 h GLU 279 CO 0.08 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.48 3kl9 n ALA 280 N -2.30 2.28 -3.56 3.43 0.00 -0.86 -4.99 120.51 114.51 3kl9 n ALA 280 Ca -0.00 -1.08 -0.25 0.00 0.00 0.00 0.00 53.44 52.11 3kl9 n ALA 280 Cb 0.51 -0.57 0.07 0.00 0.00 0.00 0.00 19.45 19.46 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 0.87 -0.54 3.69 0.00 0.00 -0.73 -4.96 105.19 103.52 3kl9 n GLY 281 Ca 0.14 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.29 4.96 0.03 -0.61 -1.09 -0.23 -5.03 121.20 115.95 3kl9 s ILE 282 Ca 0.56 1.54 -0.30 0.00 -2.23 0.00 0.00 60.65 60.22 3kl9 s ILE 282 Cb -0.25 -4.09 -0.06 0.00 -1.58 0.00 0.00 42.46 36.48 3kl9 s ILE 282 CO 0.69 0.13 1.32 -0.75 -1.23 0.00 0.00 174.94 175.11 3kl9 s LYS 283 N 1.50 4.34 0.04 2.79 2.20 -1.26 -4.82 119.74 124.53 3kl9 s LYS 283 Ca 0.38 1.91 -0.10 0.00 -0.36 0.00 0.00 55.97 57.80 3kl9 s LYS 283 Cb -0.17 -3.44 0.01 0.00 -1.51 0.00 0.00 37.83 32.71 3kl9 s LYS 283 CO 0.16 -0.45 0.21 1.52 -0.36 0.00 0.00 175.35 176.43 3kl9 s TYR 284 N 1.75 0.02 0.01 4.03 -0.85 -1.26 -2.00 117.35 119.05 3kl9 s TYR 284 Ca 0.62 -0.21 0.04 0.00 -0.52 0.00 0.00 57.07 57.00 3kl9 s TYR 284 Cb -0.31 -0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.01 3kl9 s TYR 284 CO 0.27 -0.43 -0.13 1.14 -1.52 0.00 0.00 175.55 174.88 3kl9 s GLN 285 N -2.48 0.98 0.40 -3.49 -2.07 0.01 -4.88 119.66 108.12 3kl9 s GLN 285 Ca -0.06 -0.57 -0.26 0.00 -1.82 0.00 0.00 55.36 52.66 3kl9 s GLN 285 Cb -0.01 -0.96 -0.09 0.00 -1.09 0.00 0.00 33.01 30.86 3kl9 s GLN 285 CO -0.03 0.25 1.23 0.71 -1.32 0.00 0.00 175.29 176.13 3kl9 s TYR 286 N -0.52 2.98 -0.12 9.60 1.51 -1.26 -1.00 117.35 128.53 3kl9 s TYR 286 Ca 0.03 1.50 -0.04 0.00 -1.01 0.00 0.00 57.07 57.55 3kl9 s TYR 286 Cb -0.06 -3.52 0.06 0.00 -0.11 0.00 0.00 41.96 38.34 3kl9 s TYR 286 CO 0.00 -1.63 0.22 -0.47 -1.11 0.00 0.00 175.55 172.56 3kl9 s TYR 287 N -1.33 -0.32 -0.56 2.71 5.04 -0.54 -4.74 117.35 117.60 3kl9 s TYR 287 Ca 0.56 0.74 -0.19 0.00 -2.44 0.00 0.00 57.07 55.74 3kl9 s TYR 287 Cb -0.34 -0.16 0.09 0.00 0.35 0.00 0.00 41.96 41.89 3kl9 s TYR 287 CO 0.43 -0.36 0.68 0.00 -1.34 0.00 0.00 175.55 174.96 3kl9 s GLY 289 N 3.28 3.04 0.02 0.00 0.00 -0.29 -4.96 107.32 108.41 3kl9 s GLY 289 Ca 0.13 0.85 0.22 0.00 0.00 0.00 0.00 44.72 45.92 3kl9 s GLY 289 CO 0.08 1.43 0.80 0.28 0.00 0.00 0.00 173.10 175.70 3kl9 n LYS 290 N 1.09 0.40 -4.48 2.90 4.01 -1.26 -4.24 118.16 116.57 3kl9 n LYS 290 Ca -0.01 -0.06 -0.23 0.00 -0.51 0.00 0.00 58.31 57.50 3kl9 n LYS 290 Cb 0.45 -1.57 -0.11 0.00 -0.51 0.00 0.00 35.03 33.30 3kl9 n LYS 290 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3kl9 s GLY 291 N -3.91 2.16 0.49 0.72 0.00 -1.26 -4.64 107.32 100.88 3kl9 s GLY 291 Ca -0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 44.72 42.56 3kl9 s GLY 291 CO 0.85 -1.87 0.79 -0.32 0.00 0.00 0.00 173.10 172.55 3kl9 s GLY 292 N -3.53 1.50 0.49 0.20 0.00 -1.26 -4.60 107.32 100.12 3kl9 s GLY 292 Ca 0.36 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.60 3kl9 s GLY 292 CO 0.16 -0.33 0.03 -0.51 0.00 0.00 0.00 173.10 172.45 3kl9 s THR 293 N -2.76 1.06 0.62 0.90 -4.23 -1.26 -5.02 115.64 104.95 3kl9 s THR 293 Ca 0.48 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.30 3kl9 s THR 293 Cb -0.10 -2.19 0.36 0.00 1.34 0.00 0.00 72.50 71.91 3kl9 s THR 293 CO 0.45 0.00 2.06 0.44 -0.54 0.00 0.00 174.62 177.03 3kl9 h ASP 294 N 1.42 0.00 0.09 3.99 3.32 -1.95 -0.46 116.42 122.84 3kl9 h ASP 294 Ca -0.42 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 3kl9 h ASP 294 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 3kl9 h ASP 294 CO 0.71 0.00 -0.09 0.00 -1.72 0.00 0.00 179.24 178.14 3kl9 h ALA 295 N 1.64 1.86 -0.79 3.45 0.00 -1.95 -1.09 119.26 122.37 3kl9 h ALA 295 Ca 0.07 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kl9 h ALA 295 Cb 0.57 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3kl9 h ALA 295 CO -0.00 0.11 0.50 0.78 0.00 0.00 0.00 179.25 180.63 3kl9 h GLY 296 N 0.26 1.14 0.76 0.00 0.00 -1.29 -1.73 103.07 102.21 3kl9 h GLY 296 Ca -0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 47.33 46.62 3kl9 h GLY 296 CO 0.01 0.30 -1.70 0.00 0.00 0.00 0.00 176.54 175.16 3kl9 h ALA 297 N 1.34 0.21 -0.50 3.60 0.00 -1.66 -3.40 119.26 118.84 3kl9 h ALA 297 Ca 0.32 -1.17 -0.07 0.00 0.00 0.00 0.00 54.91 53.99 3kl9 h ALA 297 Cb 0.04 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3kl9 h ALA 297 CO -0.12 1.01 0.01 0.00 0.00 0.00 0.00 179.25 180.15 3kl9 h ALA 298 N 0.05 1.08 0.00 0.00 0.00 -1.10 -2.89 119.26 116.40 3kl9 h ALA 298 Ca -0.35 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3kl9 h ALA 298 Cb 1.99 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3kl9 h ALA 298 CO 0.13 0.58 0.00 1.12 0.00 0.00 0.00 179.25 181.08 3kl9 h HIS 299 N 0.78 0.00 -0.06 0.00 2.07 -1.47 -2.57 115.15 113.89 3kl9 h HIS 299 Ca 0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.67 3kl9 h HIS 299 Cb 0.45 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.43 3kl9 h HIS 299 CO 0.03 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.17 3kl9 n LEU 300 N -2.58 2.06 -4.89 6.12 4.77 -1.09 -1.75 117.00 119.63 3kl9 n LEU 300 Ca 0.02 -0.72 -0.29 0.00 -0.03 0.00 0.00 56.01 54.98 3kl9 n LEU 300 Cb 0.26 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3kl9 n LEU 300 CO 0.23 0.36 0.37 -0.54 -1.33 0.00 0.00 177.39 176.48 3kl9 s LYS 301 N -1.94 3.66 2.50 3.23 -0.14 -0.97 -4.77 119.74 121.31 3kl9 s LYS 301 Ca 0.35 0.24 0.00 0.00 -1.36 0.00 0.00 55.97 55.19 3kl9 s LYS 301 Cb 0.20 -2.46 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 3kl9 s LYS 301 CO 0.32 -0.02 0.00 0.09 -0.76 0.00 0.00 175.35 174.98 3kl9 n ASN 302 N -1.52 0.00 0.00 2.83 5.03 -1.26 -1.65 115.26 118.69 3kl9 n ASN 302 Ca 0.00 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.53 3kl9 n ASN 302 Cb 0.54 0.00 0.38 0.00 -1.02 0.00 0.00 39.78 39.68 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 -0.92 0.00 7.41 0.00 -1.26 -4.93 105.19 105.49 3kl9 n GLY 303 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.10 3.49 2.62 -0.02 0.00 -0.66 -5.10 105.19 105.62 3kl9 n GLY 304 Ca 0.06 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 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 0.36 0.25 1.61 1.01 -0.72 -4.95 120.40 117.73 3kl9 s VAL 305 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 3kl9 s VAL 305 Cb 0.00 -1.29 -0.14 0.00 0.00 0.00 0.00 36.38 34.95 3kl9 s VAL 305 CO 0.00 -0.73 1.19 -2.65 0.00 0.00 0.00 175.10 172.92 3kl9 n PRO 306 N 4.97 1.57 -4.18 2.72 -0.02 -1.25 -4.14 135.00 134.67 3kl9 n PRO 306 Ca -0.03 0.56 -0.11 0.00 -2.02 0.00 0.00 63.50 61.89 3kl9 n PRO 306 Cb 0.41 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.14 0.20 0.15 2.55 0.01 -1.26 -1.61 113.70 113.60 3kl9 s SER 307 Ca 0.65 -1.31 -0.03 0.00 1.31 0.00 0.00 55.95 56.56 3kl9 s SER 307 Cb -0.72 0.36 0.01 0.00 0.21 0.00 0.00 66.02 65.88 3kl9 s SER 307 CO 0.55 -0.81 0.25 0.35 0.41 0.00 0.00 173.24 173.99 3kl9 n THR 308 N -0.21 0.00 -3.85 1.44 -2.24 -1.08 -4.67 114.28 103.67 3kl9 n THR 308 Ca -0.01 -0.54 -0.29 0.00 -2.27 0.00 0.00 64.05 60.93 3kl9 n THR 308 Cb 0.65 0.41 -0.16 0.00 -2.10 0.00 0.00 70.33 69.13 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 -2.62 1.16 -0.25 4.28 2.01 -1.26 -0.27 115.64 118.70 3kl9 s THR 309 Ca 0.09 -1.14 -0.29 0.00 0.31 0.00 0.00 61.69 60.66 3kl9 s THR 309 Cb -0.01 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 3kl9 s THR 309 CO 0.06 -0.28 1.62 -0.63 -0.69 0.00 0.00 174.62 174.71 3kl9 s ILE 310 N 1.54 3.69 0.08 1.82 -1.09 0.18 -4.63 121.20 122.79 3kl9 s ILE 310 Ca -0.00 0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 59.16 3kl9 s ILE 310 Cb -0.18 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 3kl9 s ILE 310 CO -0.10 -0.34 0.03 -0.83 -1.23 0.00 0.00 174.94 172.47 3kl9 s GLY 311 N 4.43 0.56 0.19 6.18 0.00 -1.26 -2.83 107.32 114.59 3kl9 s GLY 311 Ca 0.72 -1.20 0.11 0.00 0.00 0.00 0.00 44.72 44.34 3kl9 s GLY 311 CO 0.30 -1.25 -0.22 0.14 0.00 0.00 0.00 173.10 172.07 3kl9 s VAL 312 N -3.95 2.19 0.14 1.40 1.01 -1.24 -0.94 120.40 119.02 3kl9 s VAL 312 Ca 0.12 -2.04 0.04 0.00 0.00 0.00 0.00 61.98 60.10 3kl9 s VAL 312 Cb 0.07 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3kl9 s VAL 312 CO -0.07 -0.21 0.15 0.00 0.00 0.00 0.00 175.10 174.98 3kl9 s ALA 314 N -1.68 -0.88 0.06 0.00 0.00 0.47 -4.75 121.76 114.98 3kl9 s ALA 314 Ca 0.31 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 3kl9 s ALA 314 Cb -0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 3kl9 s ALA 314 CO 0.24 -0.19 1.10 1.03 0.00 0.00 0.00 175.76 177.95 3kl9 s ARG 315 N -0.05 4.52 -0.91 0.00 0.52 0.62 -0.95 118.95 122.70 3kl9 s ARG 315 Ca -0.02 1.63 -0.04 0.00 -0.52 0.00 0.00 55.73 56.78 3kl9 s ARG 315 Cb -0.03 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 32.07 3kl9 s ARG 315 CO 0.01 -0.11 0.78 0.66 0.02 0.00 0.00 175.30 176.66 3kl9 n TYR 316 N 3.59 -1.82 -1.49 -0.53 4.01 -1.26 -0.43 117.16 119.23 3kl9 n TYR 316 Ca 0.07 0.69 -0.38 0.00 -0.16 0.00 0.00 57.90 58.11 3kl9 n TYR 316 Cb 0.48 -3.97 0.04 0.00 -0.31 0.00 0.00 39.34 35.58 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 -3.82 2.39 -3.31 -0.72 -0.00 -1.26 -3.51 119.36 109.15 3kl9 n ILE 317 Ca -0.08 -0.50 -0.18 0.00 -0.00 0.00 0.00 62.75 61.99 3kl9 n ILE 317 Cb 0.57 -0.74 0.06 0.00 -0.00 0.00 0.00 39.64 39.54 3kl9 n ILE 317 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 3kl9 n HIS 318 N -1.61 -2.14 -3.58 1.39 8.25 -1.26 -5.00 115.22 111.27 3kl9 n HIS 318 Ca 0.12 0.77 0.00 0.00 -0.26 0.00 0.00 57.72 58.35 3kl9 n HIS 318 Cb 0.47 -4.12 0.00 0.00 1.12 0.00 0.00 29.99 27.46 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 -2.03 0.00 0.11 0.41 3.41 -1.23 -4.71 113.62 109.58 3kl9 n SER 319 Ca -0.02 -0.84 0.10 0.00 -0.26 0.00 0.00 58.87 57.84 3kl9 n SER 319 Cb 0.56 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.84 0.00 -2.44 7.33 3.86 -1.89 -3.39 115.15 119.47 3kl9 h HIS 320 Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 3kl9 h HIS 320 Cb 0.00 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 28.05 3kl9 h HIS 320 CO 0.00 0.10 -0.63 1.04 0.86 0.00 0.00 177.93 179.30 3kl9 n GLN 321 N -2.79 2.16 -3.03 2.45 1.13 -1.26 -3.18 117.38 112.85 3kl9 n GLN 321 Ca -0.01 -4.49 -0.40 0.00 -1.94 0.00 0.00 57.00 50.16 3kl9 n GLN 321 Cb 0.59 -2.18 -0.05 0.00 0.11 0.00 0.00 30.24 28.71 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 -2.05 4.92 -0.14 5.09 2.01 0.16 -4.66 115.64 120.98 3kl9 s THR 322 Ca 0.35 1.50 0.02 0.00 0.31 0.00 0.00 61.69 63.87 3kl9 s THR 322 Cb 0.09 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.55 3kl9 s THR 322 CO -0.07 0.31 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.76 3kl9 s LEU 323 N 0.41 2.28 0.17 4.42 0.20 0.43 -1.55 118.68 125.04 3kl9 s LEU 323 Ca 0.38 -0.53 -0.13 0.00 0.69 0.00 0.00 54.13 54.53 3kl9 s LEU 323 Cb -0.19 -1.50 0.01 0.00 -0.43 0.00 0.00 46.19 44.09 3kl9 s LEU 323 CO 0.20 0.09 0.39 -0.72 -0.29 0.00 0.00 176.35 176.02 3kl9 s TYR 324 N 0.75 0.15 -0.15 5.38 -0.85 -0.72 -0.28 117.35 121.63 3kl9 s TYR 324 Ca -0.08 -0.50 -0.05 0.00 -0.52 0.00 0.00 57.07 55.91 3kl9 s TYR 324 Cb -0.16 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 3kl9 s TYR 324 CO 0.00 -0.80 0.04 0.00 -1.52 0.00 0.00 175.55 173.27 3kl9 s ALA 325 N -3.92 3.35 0.28 9.51 0.00 -1.26 -0.23 121.76 129.49 3kl9 s ALA 325 Ca 0.13 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3kl9 s ALA 325 Cb 0.01 -1.76 0.40 0.00 0.00 0.00 0.00 23.12 21.77 3kl9 s ALA 325 CO -0.02 0.32 1.73 0.52 0.00 0.00 0.00 175.76 178.31 3kl9 h MET 326 N 6.19 0.54 -0.45 0.00 2.86 -1.82 -2.83 114.93 119.42 3kl9 h MET 326 Ca -0.41 -0.19 0.08 0.00 -2.06 0.00 0.00 59.70 57.13 3kl9 h MET 326 Cb 1.18 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.73 3kl9 h MET 326 CO 0.64 0.71 0.02 0.22 1.06 0.00 0.00 176.91 179.57 3kl9 h ASP 327 N 0.48 -0.15 -0.76 1.22 3.58 -1.95 -2.05 116.42 116.78 3kl9 h ASP 327 Ca 0.08 0.10 0.10 0.00 0.42 0.00 0.00 57.03 57.72 3kl9 h ASP 327 Cb 0.63 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.78 3kl9 h ASP 327 CO 0.04 -0.04 0.40 0.44 -2.88 0.00 0.00 179.24 177.20 3kl9 h ASP 328 N 0.13 0.54 -0.11 2.28 3.32 -1.84 -1.06 116.42 119.69 3kl9 h ASP 328 Ca 0.22 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.36 3kl9 h ASP 328 Cb 0.32 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3kl9 h ASP 328 CO -0.36 0.31 -0.08 0.15 -1.72 0.00 0.00 179.24 177.54 3kl9 h PHE 329 N 0.67 -0.18 -0.48 4.55 3.57 -1.34 -1.60 116.94 122.12 3kl9 h PHE 329 Ca 0.37 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.93 3kl9 h PHE 329 Cb 0.38 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 3kl9 h PHE 329 CO -0.09 -0.12 0.23 -0.07 -2.23 0.00 0.00 178.31 176.03 3kl9 h LEU 330 N -0.08 0.32 -0.26 0.59 3.38 -0.80 0.19 115.31 118.65 3kl9 h LEU 330 Ca 0.07 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3kl9 h LEU 330 Cb 0.18 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3kl9 h LEU 330 CO -0.16 0.22 0.06 -0.33 0.09 0.00 0.00 178.44 178.32 3kl9 h GLU 331 N 0.46 0.16 -0.47 1.13 4.39 -1.03 -0.95 114.58 118.27 3kl9 h GLU 331 Ca 0.21 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 3kl9 h GLU 331 Cb 0.14 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3kl9 h GLU 331 CO -0.16 0.10 -0.07 0.00 -1.16 0.00 0.00 179.01 177.73 3kl9 h ALA 332 N 1.18 1.01 -0.06 3.43 0.00 -0.78 0.07 119.26 124.11 3kl9 h ALA 332 Ca 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kl9 h ALA 332 Cb 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kl9 h ALA 332 CO -0.15 0.60 0.00 0.37 0.00 0.00 0.00 179.25 180.08 3kl9 h GLN 333 N 0.74 0.10 -0.87 0.00 5.75 -0.77 0.16 115.11 120.23 3kl9 h GLN 333 Ca 0.13 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.68 3kl9 h GLN 333 Cb 0.54 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.03 3kl9 h GLN 333 CO 0.03 0.36 0.57 0.00 -2.65 0.00 0.00 178.83 177.14 3kl9 h ALA 334 N 0.73 1.59 -0.10 3.38 0.00 -1.03 -0.84 119.26 122.99 3kl9 h ALA 334 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kl9 h ALA 334 Cb 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kl9 h ALA 334 CO 0.00 0.26 0.00 0.35 0.00 0.00 0.00 179.25 179.86 3kl9 h PHE 335 N 0.93 0.19 -0.68 0.00 -0.00 -0.70 -2.35 116.94 114.33 3kl9 h PHE 335 Ca 0.39 -0.03 0.05 0.00 -0.00 0.00 0.00 57.97 58.38 3kl9 h PHE 335 Cb 0.29 -0.05 -0.05 0.00 -0.00 0.00 0.00 35.95 36.14 3kl9 h PHE 335 CO -0.00 0.42 0.39 1.25 -0.00 0.00 0.00 178.31 180.37 3kl9 h LEU 336 N -0.10 0.60 0.21 0.59 6.46 -0.10 -1.49 115.31 121.48 3kl9 h LEU 336 Ca 0.03 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 3kl9 h LEU 336 Cb 0.34 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 3kl9 h LEU 336 CO 0.00 0.40 -0.10 1.56 -0.62 0.00 0.00 178.44 179.68 3kl9 h GLN 337 N 0.74 -0.27 -0.40 1.25 4.20 -1.13 -1.74 115.11 117.75 3kl9 h GLN 337 Ca 0.29 0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.08 3kl9 h GLN 337 Cb 0.14 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 3kl9 h GLN 337 CO -0.16 -0.14 0.13 0.00 -0.67 0.00 0.00 178.83 177.99 3kl9 h ALA 338 N 0.45 0.46 0.36 3.87 0.00 -1.17 -1.74 119.26 121.50 3kl9 h ALA 338 Ca -0.03 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kl9 h ALA 338 Cb 0.26 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3kl9 h ALA 338 CO 0.05 -0.27 -0.41 -0.07 0.00 0.00 0.00 179.25 178.55 3kl9 h LEU 339 N 0.28 -1.13 -1.72 0.00 3.38 -1.11 -1.72 115.31 113.29 3kl9 h LEU 339 Ca 0.19 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 3kl9 h LEU 339 Cb 0.19 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3kl9 h LEU 339 CO -0.21 -0.55 -0.18 -0.37 0.09 0.00 0.00 178.44 177.23 3kl9 h VAL 340 N -0.80 0.81 0.00 1.22 -1.51 -1.17 -1.60 116.25 113.20 3kl9 h VAL 340 Ca -0.03 -0.69 -0.14 0.00 -1.23 0.00 0.00 66.70 64.62 3kl9 h VAL 340 Cb 0.73 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 3kl9 h VAL 340 CO -0.09 0.17 -0.64 0.11 -1.23 0.00 0.00 177.57 175.89 3kl9 h LYS 341 N 0.00 0.00 -0.00 5.19 1.57 -1.07 -3.21 116.57 119.05 3kl9 h LYS 341 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kl9 h LYS 341 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3kl9 h LYS 341 CO 0.02 0.64 -0.56 1.17 -0.57 0.00 0.00 179.45 180.16 3kl9 n LYS 342 N -3.73 0.32 -2.65 3.15 4.81 -0.67 -4.63 118.16 114.76 3kl9 n LYS 342 Ca -0.01 -0.22 -0.42 0.00 -0.87 0.00 0.00 58.31 56.79 3kl9 n LYS 342 Cb 0.65 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.17 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 -2.83 3.62 0.00 3.14 1.43 -0.69 -4.69 118.68 118.66 3kl9 s LEU 343 Ca 0.14 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 3kl9 s LEU 343 Cb 0.18 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 3kl9 s LEU 343 CO 0.69 -1.42 0.20 -0.90 0.23 0.00 0.00 176.35 175.15 3kl9 n ASP 344 N 8.19 0.23 -0.28 2.29 3.85 -1.26 -3.36 116.55 126.21 3kl9 n ASP 344 Ca 0.07 -3.01 0.09 0.00 -0.71 0.00 0.00 54.79 51.23 3kl9 n ASP 344 Cb 0.49 1.26 0.23 0.00 -1.35 0.00 0.00 41.12 41.75 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 0.26 0.37 0.11 9.65 -1.88 -0.53 114.38 122.36 3kl9 h ARG 345 Ca -0.25 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.59 3kl9 h ARG 345 Cb 1.11 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 3kl9 h ARG 345 CO 0.38 0.17 -0.18 0.77 2.80 0.00 0.00 179.97 183.91 3kl9 h SER 346 N 0.26 -0.42 0.02 -3.80 0.02 -1.95 -2.07 113.55 105.61 3kl9 h SER 346 Ca 0.48 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.27 3kl9 h SER 346 Cb 0.89 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3kl9 h SER 346 CO -0.57 -0.26 -0.47 0.71 -1.14 0.00 0.00 176.83 175.09 3kl9 h THR 347 N -0.55 1.31 -0.20 -2.27 1.35 -1.66 -0.42 112.91 110.47 3kl9 h THR 347 Ca -0.05 -1.68 -0.15 0.00 -0.55 0.00 0.00 66.41 63.99 3kl9 h THR 347 Cb 0.41 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 3kl9 h THR 347 CO 0.08 0.52 -0.48 -0.37 -0.25 0.00 0.00 175.52 175.02 3kl9 h VAL 348 N 0.42 1.31 -0.42 6.82 -1.51 -1.17 0.25 116.25 121.95 3kl9 h VAL 348 Ca 0.02 -1.70 -0.08 0.00 -1.23 0.00 0.00 66.70 63.72 3kl9 h VAL 348 Cb 0.98 1.68 -0.02 0.00 -2.13 0.00 0.00 31.29 31.81 3kl9 h VAL 348 CO 0.09 0.53 -0.06 0.44 -1.23 0.00 0.00 177.57 177.33 3kl9 h ASP 349 N 0.43 0.70 -0.41 4.19 5.19 -1.05 0.11 116.42 125.57 3kl9 h ASP 349 Ca 0.02 -0.18 -0.06 0.00 -0.62 0.00 0.00 57.03 56.19 3kl9 h ASP 349 Cb 1.00 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 3kl9 h ASP 349 CO 0.09 0.81 0.01 0.25 -3.12 0.00 0.00 179.24 177.28 3kl9 h LEU 350 N 0.66 0.70 -0.98 1.55 6.46 -0.89 -1.09 115.31 121.72 3kl9 h LEU 350 Ca 0.12 -0.30 0.07 0.00 -0.12 0.00 0.00 57.88 57.65 3kl9 h LEU 350 Cb 0.50 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.18 3kl9 h LEU 350 CO 0.03 0.83 0.63 0.40 -0.62 0.00 0.00 178.44 179.71 3kl9 h ILE 351 N 0.55 1.07 -0.95 4.05 2.04 -0.54 -2.60 117.51 121.14 3kl9 h ILE 351 Ca 0.12 -0.39 -0.46 0.00 1.00 0.00 0.00 64.86 65.13 3kl9 h ILE 351 Cb 0.46 -0.16 -0.27 0.00 -0.74 0.00 0.00 36.82 36.10 3kl9 h ILE 351 CO 0.02 0.21 0.58 0.29 0.00 0.00 0.00 178.15 179.25 3kl9 n LYS 352 N -4.53 2.54 -2.49 2.37 5.02 0.34 -4.34 118.16 117.07 3kl9 n LYS 352 Ca 0.15 -3.03 -0.43 0.00 -2.02 0.00 0.00 58.31 52.98 3kl9 n LYS 352 Cb 0.19 -2.19 -0.02 0.00 -0.02 0.00 0.00 35.03 32.99 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 -3.24 2.71 0.00 2.13 2.46 -0.45 -4.96 115.29 113.94 3kl9 s HIS 353 Ca 0.57 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.89 3kl9 s HIS 353 Cb 0.47 -4.20 0.00 0.00 -0.13 0.00 0.00 32.58 28.73 3kl9 s HIS 353 CO 0.11 -1.51 0.35 0.66 -2.47 0.00 0.00 174.74 171.88