#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl9 h MET 1 N 0.00 0.31 -0.34 -1.46 2.07 -2.00 -2.19 114.93 111.32 3kl9 h MET 1 Ca 0.00 -0.10 -0.14 0.00 -2.07 0.00 0.00 59.70 57.39 3kl9 h MET 1 Cb 0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.69 3kl9 h MET 1 CO 0.00 0.53 -0.35 0.00 1.07 0.00 0.00 176.91 178.16 3kl9 h THR 2 N 0.28 1.28 -0.26 2.22 1.03 -2.00 -1.43 112.91 114.04 3kl9 h THR 2 Ca 0.05 -1.51 -0.16 0.00 -0.01 0.00 0.00 66.41 64.77 3kl9 h THR 2 Cb 0.57 1.39 -0.01 0.00 -1.07 0.00 0.00 68.15 69.04 3kl9 h THR 2 CO 0.04 0.50 -0.49 0.74 -0.01 0.00 0.00 175.52 176.30 3kl9 h THR 3 N 0.66 1.30 -0.57 0.00 2.02 -1.97 -3.05 112.91 111.30 3kl9 h THR 3 Ca 0.06 -1.69 0.01 0.00 0.77 0.00 0.00 66.41 65.56 3kl9 h THR 3 Cb 0.90 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 3kl9 h THR 3 CO 0.08 0.54 0.37 0.25 0.37 0.00 0.00 175.52 177.13 3kl9 h LEU 4 N 0.56 0.62 -0.47 2.58 6.46 -1.17 -1.90 115.31 122.01 3kl9 h LEU 4 Ca 0.03 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3kl9 h LEU 4 Cb 1.05 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 3kl9 h LEU 4 CO 0.10 0.45 0.29 0.15 -0.62 0.00 0.00 178.44 178.81 3kl9 h PHE 5 N 0.74 0.61 -0.86 1.25 3.04 -1.27 -0.71 116.94 119.73 3kl9 h PHE 5 Ca 0.21 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.23 3kl9 h PHE 5 Cb -0.06 -0.20 -0.06 0.00 2.56 0.00 0.00 35.95 38.19 3kl9 h PHE 5 CO -0.04 0.41 0.53 0.77 -2.02 0.00 0.00 178.31 177.97 3kl9 h SER 6 N 0.62 0.84 -0.31 0.41 0.02 -1.35 0.34 113.55 114.12 3kl9 h SER 6 Ca 0.17 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3kl9 h SER 6 Cb -0.03 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3kl9 h SER 6 CO -0.03 0.54 -0.06 0.11 -1.14 0.00 0.00 176.83 176.24 3kl9 h LYS 7 N 0.97 0.58 -0.53 3.45 1.57 -1.00 -1.76 116.57 119.86 3kl9 h LYS 7 Ca 0.38 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3kl9 h LYS 7 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3kl9 h LYS 7 CO -0.18 0.77 0.29 0.82 -0.57 0.00 0.00 179.45 180.58 3kl9 h ILE 8 N 0.36 1.18 -0.92 1.86 2.04 -0.57 -2.41 117.51 119.05 3kl9 h ILE 8 Ca 0.08 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.55 3kl9 h ILE 8 Cb 0.54 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 3kl9 h ILE 8 CO 0.03 0.19 0.59 0.50 0.00 0.00 0.00 178.15 179.47 3kl9 h LYS 9 N 0.71 0.99 0.15 2.37 3.64 -0.17 -1.55 116.57 122.71 3kl9 h LYS 9 Ca 0.19 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3kl9 h LYS 9 Cb 0.05 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3kl9 h LYS 9 CO -0.03 0.65 -0.07 1.49 -2.27 0.00 0.00 179.45 179.22 3kl9 h GLU 10 N 1.02 -0.19 -0.39 1.90 4.81 -0.85 -2.92 114.58 117.95 3kl9 h GLU 10 Ca 0.40 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.49 3kl9 h GLU 10 Cb 0.25 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3kl9 h GLU 10 CO -0.16 0.13 -0.36 -0.39 -0.73 0.00 0.00 179.01 177.50 3kl9 h VAL 11 N -0.54 1.27 0.00 0.32 -1.51 -1.30 -3.18 116.25 111.31 3kl9 h VAL 11 Ca -0.02 -1.53 -0.05 0.00 -1.23 0.00 0.00 66.70 63.87 3kl9 h VAL 11 Cb 0.42 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 3kl9 h VAL 11 CO 0.03 0.52 -0.22 0.71 -1.23 0.00 0.00 177.57 177.38 3kl9 h THR 12 N 0.77 0.52 -0.01 7.19 1.35 -1.38 -3.01 112.91 118.34 3kl9 h THR 12 Ca 0.07 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3kl9 h THR 12 Cb 0.96 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3kl9 h THR 12 CO 0.09 0.22 -0.11 -0.62 -0.25 0.00 0.00 175.52 174.85 3kl9 n GLU 13 N -3.36 1.41 -2.50 4.72 1.02 -1.10 -4.75 120.64 116.08 3kl9 n GLU 13 Ca 0.00 -0.87 -0.35 0.00 -0.02 0.00 0.00 57.16 55.92 3kl9 n GLU 13 Cb 0.44 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 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 -2.19 3.95 -0.37 -4.62 1.43 -1.14 -5.03 118.68 110.70 3kl9 s LEU 14 Ca 0.32 2.01 -0.07 0.00 -1.03 0.00 0.00 54.13 55.36 3kl9 s LEU 14 Cb 0.20 -4.41 0.06 0.00 0.03 0.00 0.00 46.19 42.07 3kl9 s LEU 14 CO 0.41 -0.73 0.17 0.00 0.23 0.00 0.00 176.35 176.43 3kl9 s ALA 15 N -1.82 3.14 -0.32 4.21 0.00 -1.26 -5.03 121.76 120.68 3kl9 s ALA 15 Ca 0.64 -1.98 0.01 0.00 0.00 0.00 0.00 51.96 50.63 3kl9 s ALA 15 Cb -0.20 -2.42 0.14 0.00 0.00 0.00 0.00 23.12 20.65 3kl9 s ALA 15 CO 0.24 -1.50 0.33 0.00 0.00 0.00 0.00 175.76 174.83 3kl9 s ALA 16 N 1.38 -0.48 0.51 0.00 0.00 -1.26 -4.68 121.76 117.23 3kl9 s ALA 16 Ca 0.01 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.25 3kl9 s ALA 16 Cb -0.21 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.92 3kl9 s ALA 16 CO 0.02 -1.88 0.99 0.08 0.00 0.00 0.00 175.76 174.97 3kl9 s VAL 17 N 2.01 4.33 0.21 0.00 1.01 -1.26 0.55 120.40 127.26 3kl9 s VAL 17 Ca 0.12 1.20 -0.31 0.00 0.00 0.00 0.00 61.98 63.00 3kl9 s VAL 17 Cb -0.14 -3.62 -0.16 0.00 0.00 0.00 0.00 36.38 32.46 3kl9 s VAL 17 CO -0.22 -0.56 0.99 -1.20 0.00 0.00 0.00 175.10 174.11 3kl9 n SER 18 N -1.43 0.79 0.00 3.32 7.64 -1.24 -1.20 113.62 121.50 3kl9 n SER 18 Ca 0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.11 3kl9 n SER 18 Cb 0.54 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 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 1.70 1.43 2.58 0.23 0.00 -1.26 -4.87 105.19 105.01 3kl9 n GLY 19 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 0.97 -0.96 1.61 -0.00 -0.34 -4.93 115.22 109.57 3kl9 n HIS 20 Ca 0.00 -2.95 0.06 0.00 -0.00 0.00 0.00 57.72 54.83 3kl9 n HIS 20 Cb 0.00 -0.37 0.36 0.00 -0.00 0.00 0.00 29.99 29.97 3kl9 n HIS 20 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 3kl9 n GLU 21 N -0.01 4.23 -0.27 -0.41 0.00 -1.26 -4.09 120.64 118.84 3kl9 n GLU 21 Ca 0.11 -3.08 0.01 0.00 0.00 0.00 0.00 57.16 54.20 3kl9 n GLU 21 Cb 0.79 -2.15 0.08 0.00 0.00 0.00 0.00 31.44 30.16 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 3.24 0.41 -0.40 -1.84 0.00 -1.92 0.19 119.26 118.95 3kl9 h ALA 22 Ca 0.03 0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3kl9 h ALA 22 Cb 1.89 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 20.32 3kl9 h ALA 22 CO 0.45 -0.46 0.02 -1.35 0.00 0.00 0.00 179.25 177.91 3kl9 h PRO 23 N -0.03 0.62 0.02 0.00 0.11 -1.83 0.12 132.00 131.01 3kl9 h PRO 23 Ca 0.35 -0.14 -0.21 0.00 0.11 0.00 0.00 66.00 66.12 3kl9 h PRO 23 Cb 0.58 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3kl9 h PRO 23 CO -0.81 0.62 -0.94 0.28 -0.21 0.00 0.00 178.00 176.95 3kl9 h VAL 24 N 0.59 1.53 -0.59 3.15 2.07 -1.72 -2.75 116.25 118.53 3kl9 h VAL 24 Ca 0.13 -2.78 -0.02 0.00 0.82 0.00 0.00 66.70 64.85 3kl9 h VAL 24 Cb 0.34 2.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3kl9 h VAL 24 CO 0.01 0.81 0.29 -0.09 0.02 0.00 0.00 177.57 178.61 3kl9 h ARG 25 N 0.09 0.85 -0.57 1.57 2.43 -0.16 -1.23 114.38 117.36 3kl9 h ARG 25 Ca -0.05 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3kl9 h ARG 25 Cb 1.60 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.97 3kl9 h ARG 25 CO 0.14 0.68 0.23 0.00 -1.51 0.00 0.00 179.97 179.51 3kl9 h ALA 26 N 1.12 0.74 0.00 2.80 0.00 -0.96 0.98 119.26 123.94 3kl9 h ALA 26 Ca 0.20 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kl9 h ALA 26 Cb 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3kl9 h ALA 26 CO -0.03 0.35 -0.16 -0.92 0.00 0.00 0.00 179.25 178.50 3kl9 h TYR 27 N 0.78 -0.41 -0.29 0.00 5.03 -1.34 -2.38 116.97 118.36 3kl9 h TYR 27 Ca 0.19 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.42 3kl9 h TYR 27 Cb 0.20 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 3kl9 h TYR 27 CO 0.01 -0.23 -0.22 -0.07 -1.32 0.00 0.00 178.16 176.33 3kl9 h LEU 28 N -0.26 0.55 -0.76 2.82 3.38 -0.81 -2.44 115.31 117.79 3kl9 h LEU 28 Ca 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kl9 h LEU 28 Cb 0.33 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3kl9 h LEU 28 CO -0.15 0.77 0.48 -0.09 0.09 0.00 0.00 178.44 179.54 3kl9 h ARG 29 N 0.49 1.02 0.00 1.13 2.43 -0.70 0.39 114.38 119.14 3kl9 h ARG 29 Ca 0.07 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3kl9 h ARG 29 Cb 0.65 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3kl9 h ARG 29 CO 0.05 0.70 -0.23 1.49 -1.51 0.00 0.00 179.97 180.46 3kl9 h GLU 30 N 1.04 0.00 0.00 0.20 4.22 -0.95 -1.39 114.58 117.70 3kl9 h GLU 30 Ca 0.28 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.55 3kl9 h GLU 30 Cb -0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3kl9 h GLU 30 CO -0.06 0.23 -1.94 1.63 -2.18 0.00 0.00 179.01 176.70 3kl9 n LYS 31 N -3.61 0.66 0.05 1.92 5.02 -1.03 -4.42 118.16 116.74 3kl9 n LYS 31 Ca -0.01 -0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.06 3kl9 n LYS 31 Cb 0.37 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.49 -0.99 -0.35 4.07 -0.84 -3.41 115.31 114.28 3kl9 h LEU 32 Ca -0.23 -0.92 0.14 0.00 0.08 0.00 0.00 57.88 56.95 3kl9 h LEU 32 Cb 1.57 -0.16 -0.09 0.00 1.08 0.00 0.00 40.66 43.06 3kl9 h LEU 32 CO 0.02 1.50 0.61 0.74 -1.08 0.00 0.00 178.44 180.23 3kl9 h THR 33 N -0.29 0.86 0.00 0.22 2.02 -1.46 -2.15 112.91 112.11 3kl9 h THR 33 Ca -0.20 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3kl9 h THR 33 Cb 1.74 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3kl9 h THR 33 CO 0.14 0.17 0.00 -0.65 0.37 0.00 0.00 175.52 175.55 3kl9 h PRO 34 N 0.92 0.00 -0.30 6.66 0.11 -1.82 -3.33 132.00 134.24 3kl9 h PRO 34 Ca 0.51 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.54 3kl9 h PRO 34 Cb 0.59 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.65 3kl9 h PRO 34 CO -0.30 0.00 -0.02 0.72 -0.21 0.00 0.00 178.00 178.20 3kl9 n HIS 35 N -3.03 0.99 -3.67 0.65 8.25 -0.81 -4.99 115.22 112.61 3kl9 n HIS 35 Ca 0.02 -1.19 -0.15 0.00 -0.26 0.00 0.00 57.72 56.14 3kl9 n HIS 35 Cb 0.39 -0.39 -0.08 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 -3.01 0.03 0.24 1.59 1.01 -1.23 -4.65 120.40 114.38 3kl9 s VAL 36 Ca 0.43 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 62.29 3kl9 s VAL 36 Cb 0.37 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 3kl9 s VAL 36 CO 0.05 -0.12 1.57 0.44 0.00 0.00 0.00 175.10 177.04 3kl9 h ASP 37 N 3.85 0.00 -3.71 3.32 3.32 -1.53 -3.47 116.42 118.19 3kl9 h ASP 37 Ca -0.28 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 3kl9 h ASP 37 Cb 1.16 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.49 3kl9 h ASP 37 CO 0.36 0.66 -0.05 -0.70 -1.72 0.00 0.00 179.24 177.78 3kl9 s GLU 38 N -3.48 0.66 -0.24 3.56 2.12 -1.02 -4.99 118.70 115.30 3kl9 s GLU 38 Ca -0.01 0.88 -0.05 0.00 0.36 0.00 0.00 54.97 56.15 3kl9 s GLU 38 Cb 0.12 0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.77 3kl9 s GLU 38 CO 0.77 -0.10 -0.01 0.08 -0.54 0.00 0.00 175.26 175.46 3kl9 s VAL 39 N 0.65 3.57 0.19 3.70 1.01 -1.26 0.30 120.40 128.57 3kl9 s VAL 39 Ca -0.03 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3kl9 s VAL 39 Cb -0.05 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3kl9 s VAL 39 CO -0.04 0.33 -0.16 0.68 0.00 0.00 0.00 175.10 175.91 3kl9 s VAL 40 N 1.49 1.79 0.08 2.92 -7.23 -0.35 -4.99 120.40 114.10 3kl9 s VAL 40 Ca 0.05 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.21 3kl9 s VAL 40 Cb -0.15 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3kl9 s VAL 40 CO -0.01 -0.46 -0.15 0.28 -0.31 0.00 0.00 175.10 174.45 3kl9 s THR 41 N -2.50 1.21 0.61 5.32 -1.32 -1.26 -0.68 115.64 117.02 3kl9 s THR 41 Ca 0.19 -1.34 -0.01 0.00 -1.21 0.00 0.00 61.69 59.32 3kl9 s THR 41 Cb -0.03 -1.15 0.05 0.00 -1.51 0.00 0.00 72.50 69.86 3kl9 s THR 41 CO 0.07 -0.19 0.87 1.51 -2.21 0.00 0.00 174.62 174.66 3kl9 s ASP 42 N -1.76 5.04 0.53 8.08 1.47 0.32 -4.96 116.67 125.40 3kl9 s ASP 42 Ca -0.01 0.11 0.27 0.00 1.18 0.00 0.00 52.55 54.10 3kl9 s ASP 42 Cb -0.10 -0.87 1.42 0.00 -0.34 0.00 0.00 42.92 43.03 3kl9 s ASP 42 CO 0.03 -1.35 1.97 1.23 0.68 0.00 0.00 175.17 177.73 3kl9 h GLY 43 N -0.19 0.00 -1.29 2.12 0.00 -1.91 -0.93 103.07 100.86 3kl9 h GLY 43 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3kl9 h GLY 43 CO 0.54 0.00 -0.07 1.04 0.00 0.00 0.00 176.54 178.04 3kl9 n LEU 44 N -4.34 2.36 0.00 3.11 4.32 -1.26 -4.97 117.00 116.22 3kl9 n LEU 44 Ca 0.12 -0.79 0.00 0.00 -0.02 0.00 0.00 56.01 55.32 3kl9 n LEU 44 Cb 0.69 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.48 3kl9 n LEU 44 CO 0.37 0.40 0.00 0.61 -1.22 0.00 0.00 177.39 177.55 3kl9 n GLY 45 N 1.31 0.67 3.74 -0.72 0.00 -0.35 -4.93 105.19 104.91 3kl9 n GLY 45 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.77 2.09 0.02 -0.02 0.00 -1.26 -4.77 107.32 102.59 3kl9 s GLY 46 Ca 0.00 1.38 -0.01 0.00 0.00 0.00 0.00 44.72 46.09 3kl9 s GLY 46 CO 0.00 2.42 0.18 -0.42 0.00 0.00 0.00 173.10 175.28 3kl9 s ILE 47 N 0.29 5.33 -0.08 0.90 1.09 -1.17 -0.53 121.20 127.03 3kl9 s ILE 47 Ca 0.63 -0.27 -0.10 0.00 -1.10 0.00 0.00 60.65 59.81 3kl9 s ILE 47 Cb -0.43 -3.52 0.02 0.00 -1.06 0.00 0.00 42.46 37.47 3kl9 s ILE 47 CO 0.41 0.26 0.26 -0.36 -0.10 0.00 0.00 174.94 175.42 3kl9 s PHE 48 N -1.37 -0.26 -0.06 3.97 0.40 0.14 -1.22 117.98 119.58 3kl9 s PHE 48 Ca 0.29 0.61 -0.09 0.00 -0.60 0.00 0.00 56.93 57.14 3kl9 s PHE 48 Cb -0.13 0.09 -0.05 0.00 0.51 0.00 0.00 43.02 43.45 3kl9 s PHE 48 CO 0.21 -0.18 0.25 0.20 0.70 0.00 0.00 175.22 176.40 3kl9 s GLY 49 N -0.11 2.28 -0.21 4.36 0.00 0.34 -1.21 107.32 112.77 3kl9 s GLY 49 Ca -0.02 -0.50 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 3kl9 s GLY 49 CO 0.01 -0.22 -0.06 -0.42 0.00 0.00 0.00 173.10 172.41 3kl9 s ILE 50 N -1.10 3.24 -0.47 0.90 1.01 0.15 0.11 121.20 125.05 3kl9 s ILE 50 Ca 0.20 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 3kl9 s ILE 50 Cb -0.14 -2.46 0.12 0.00 0.01 0.00 0.00 42.46 39.99 3kl9 s ILE 50 CO 0.09 0.44 0.30 -0.75 0.00 0.00 0.00 174.94 175.02 3kl9 s LYS 51 N 1.41 2.29 0.52 2.79 2.20 0.81 -1.34 119.74 128.42 3kl9 s LYS 51 Ca 0.05 -1.89 -0.23 0.00 -0.36 0.00 0.00 55.97 53.54 3kl9 s LYS 51 Cb -0.14 -3.76 -0.06 0.00 -1.51 0.00 0.00 37.83 32.36 3kl9 s LYS 51 CO -0.04 -1.14 1.37 0.72 -0.36 0.00 0.00 175.35 175.90 3kl9 n HIS 52 N 4.59 2.36 -4.38 4.03 8.25 -1.26 -2.18 115.22 126.64 3kl9 n HIS 52 Ca -0.03 0.43 -0.30 0.00 -0.26 0.00 0.00 57.72 57.57 3kl9 n HIS 52 Cb 0.41 -2.38 -0.12 0.00 1.12 0.00 0.00 29.99 29.02 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 -0.81 3.86 0.11 0.41 0.15 -1.26 -4.82 113.70 111.34 3kl9 s SER 53 Ca 0.69 -0.53 0.26 0.00 0.70 0.00 0.00 55.95 57.06 3kl9 s SER 53 Cb -0.43 -0.56 0.65 0.00 -1.71 0.00 0.00 66.02 63.97 3kl9 s SER 53 CO 0.51 0.19 1.56 -0.62 1.20 0.00 0.00 173.24 176.09 3kl9 n GLU 54 N 0.95 0.19 -1.81 5.44 1.02 -1.26 -4.93 120.64 120.25 3kl9 n GLU 54 Ca -0.16 0.10 -0.38 0.00 -0.02 0.00 0.00 57.16 56.70 3kl9 n GLU 54 Cb 0.53 -1.66 0.04 0.00 -0.02 0.00 0.00 31.44 30.32 3kl9 n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kl9 s ALA 55 N -3.09 2.81 0.10 0.62 0.00 -1.26 -4.95 121.76 115.98 3kl9 s ALA 55 Ca 0.09 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 3kl9 s ALA 55 Cb 0.15 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 3kl9 s ALA 55 CO 0.65 -1.35 1.62 0.28 0.00 0.00 0.00 175.76 176.97 3kl9 h VAL 56 N 1.43 0.33 -1.34 0.00 2.07 -1.95 -3.25 116.25 113.54 3kl9 h VAL 56 Ca -0.51 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.45 3kl9 h VAL 56 Cb 1.30 0.33 -0.42 0.00 -1.52 0.00 0.00 31.29 30.98 3kl9 h VAL 56 CO 0.57 0.00 -0.79 -0.67 0.02 0.00 0.00 177.57 176.70 3kl9 n ASP 57 N -5.43 4.43 -4.69 0.57 2.03 -1.26 -5.07 116.55 107.12 3kl9 n ASP 57 Ca -0.09 -3.61 -0.42 0.00 0.52 0.00 0.00 54.79 51.19 3kl9 n ASP 57 Cb 0.34 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.26 3kl9 n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kl9 s ALA 58 N -3.52 3.74 0.40 -1.67 0.00 -1.23 -4.76 121.76 114.71 3kl9 s ALA 58 Ca 0.46 1.35 -0.25 0.00 0.00 0.00 0.00 51.96 53.53 3kl9 s ALA 58 Cb 0.41 -3.73 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 3kl9 s ALA 58 CO -0.13 -1.14 1.12 -1.25 0.00 0.00 0.00 175.76 174.35 3kl9 s PRO 59 N 2.57 4.09 0.17 0.00 0.04 -1.26 -4.50 135.00 136.12 3kl9 s PRO 59 Ca 0.77 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 3kl9 s PRO 59 Cb -0.43 -2.62 -0.07 0.00 0.04 0.00 0.00 34.50 31.42 3kl9 s PRO 59 CO 0.34 -0.25 1.05 1.03 0.04 0.00 0.00 177.00 179.21 3kl9 s ARG 60 N -2.38 4.65 -0.14 4.56 0.52 -1.26 -0.71 118.95 124.19 3kl9 s ARG 60 Ca 0.57 1.63 0.02 0.00 -0.52 0.00 0.00 55.73 57.43 3kl9 s ARG 60 Cb -0.27 -3.30 0.02 0.00 0.52 0.00 0.00 34.95 31.92 3kl9 s ARG 60 CO 0.34 0.16 -0.18 0.08 0.02 0.00 0.00 175.30 175.72 3kl9 s VAL 61 N -0.31 1.81 -0.23 3.52 1.01 0.68 -1.75 120.40 125.13 3kl9 s VAL 61 Ca 0.48 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 3kl9 s VAL 61 Cb -0.28 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3kl9 s VAL 61 CO 0.33 0.50 0.21 -0.22 0.00 0.00 0.00 175.10 175.93 3kl9 s LEU 62 N 1.10 4.13 -0.24 3.92 2.96 -1.02 0.15 118.68 129.68 3kl9 s LEU 62 Ca -0.02 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3kl9 s LEU 62 Cb -0.14 -2.19 0.04 0.00 0.50 0.00 0.00 46.19 44.40 3kl9 s LEU 62 CO -0.06 0.04 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.20 3kl9 s VAL 63 N 1.10 2.28 -0.05 1.68 1.01 0.89 -0.98 120.40 126.33 3kl9 s VAL 63 Ca 0.10 -1.36 0.02 0.00 0.00 0.00 0.00 61.98 60.74 3kl9 s VAL 63 Cb -0.14 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3kl9 s VAL 63 CO 0.05 0.14 -0.10 0.00 0.00 0.00 0.00 175.10 175.19 3kl9 s ALA 64 N 1.19 1.07 0.00 5.51 0.00 -0.59 -0.89 121.76 128.05 3kl9 s ALA 64 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3kl9 s ALA 64 Cb -0.18 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.47 3kl9 s ALA 64 CO -0.07 0.11 0.00 -1.13 0.00 0.00 0.00 175.76 174.68 3kl9 n SER 65 N 3.67 0.06 -3.82 0.00 3.41 -0.85 -1.15 113.62 114.94 3kl9 n SER 65 Ca -0.22 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.27 3kl9 n SER 65 Cb 0.52 0.00 -0.13 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 2.34 -0.14 -0.15 7.33 -3.43 -1.26 0.53 115.29 120.50 3kl9 s HIS 66 Ca 0.00 0.36 0.16 0.00 -0.80 0.00 0.00 55.06 54.78 3kl9 s HIS 66 Cb 0.00 0.04 -0.00 0.00 -1.43 0.00 0.00 32.58 31.19 3kl9 s HIS 66 CO 0.00 -0.08 1.23 0.52 -2.00 0.00 0.00 174.74 174.42 3kl9 h MET 67 N 6.06 0.00 -7.11 -0.38 2.86 -1.67 -3.41 114.93 111.28 3kl9 h MET 67 Ca -0.27 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 56.92 3kl9 h MET 67 Cb 1.20 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 3kl9 h MET 67 CO 0.43 0.41 0.36 0.16 1.06 0.00 0.00 176.91 179.33 3kl9 s ASP 68 N -6.20 6.77 0.35 1.22 -4.77 -1.26 -4.78 116.67 108.00 3kl9 s ASP 68 Ca 0.02 1.66 0.08 0.00 -3.30 0.00 0.00 52.55 51.00 3kl9 s ASP 68 Cb 0.08 -2.53 -0.07 0.00 -1.09 0.00 0.00 42.92 39.31 3kl9 s ASP 68 CO 0.77 -0.48 -0.04 -1.83 0.70 0.00 0.00 175.17 174.28 3kl9 s GLU 69 N -3.54 1.81 0.47 2.11 -1.05 0.19 -4.18 118.70 114.51 3kl9 s GLU 69 Ca 0.61 -1.97 -0.21 0.00 -0.15 0.00 0.00 54.97 53.25 3kl9 s GLU 69 Cb -0.10 -1.54 -0.08 0.00 -0.44 0.00 0.00 34.13 31.97 3kl9 s GLU 69 CO 0.21 0.04 1.06 0.14 0.95 0.00 0.00 175.26 177.66 3kl9 s VAL 70 N -2.75 3.66 0.00 1.83 -7.23 -1.26 -3.62 120.40 111.03 3kl9 s VAL 70 Ca 0.33 1.10 0.00 0.00 -1.81 0.00 0.00 61.98 61.60 3kl9 s VAL 70 Cb 0.06 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.51 3kl9 s VAL 70 CO 0.16 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 3kl9 n GLY 71 N -0.02 1.69 3.38 2.32 0.00 -0.63 -4.57 105.19 107.36 3kl9 n GLY 71 Ca 0.08 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.76 1.67 -0.02 1.61 0.40 -0.21 -1.10 117.98 118.57 3kl9 s PHE 72 Ca 0.00 -1.25 -0.01 0.00 -0.60 0.00 0.00 56.93 55.08 3kl9 s PHE 72 Cb 0.00 -0.98 0.02 0.00 0.51 0.00 0.00 43.02 42.57 3kl9 s PHE 72 CO 0.00 -0.36 0.04 1.41 0.70 0.00 0.00 175.22 177.01 3kl9 s MET 73 N -3.87 0.01 0.06 0.44 1.75 -0.48 -0.25 119.30 116.96 3kl9 s MET 73 Ca 0.34 0.14 -0.31 0.00 -1.25 0.00 0.00 55.69 54.62 3kl9 s MET 73 Cb 0.06 -0.12 -0.10 0.00 2.84 0.00 0.00 34.83 37.51 3kl9 s MET 73 CO 0.16 -0.09 1.92 0.28 -0.65 0.00 0.00 175.02 176.63 3kl9 n VAL 74 N 3.68 0.60 -0.05 10.11 0.31 -0.45 -0.90 118.33 131.63 3kl9 n VAL 74 Ca -0.21 -0.11 -0.01 0.00 -0.01 0.00 0.00 64.34 64.01 3kl9 n VAL 74 Cb 0.55 -2.20 -0.16 0.00 -0.91 0.00 0.00 33.84 31.12 3kl9 n VAL 74 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kl9 n SER 75 N 6.74 0.05 -3.48 4.52 3.41 0.40 -0.49 113.62 124.76 3kl9 n SER 75 Ca 0.20 0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.69 3kl9 n SER 75 Cb 0.38 1.37 -0.04 0.00 -0.26 0.00 0.00 64.21 65.66 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 -2.95 1.08 -0.27 4.33 -1.05 -1.02 -4.86 118.70 113.96 3kl9 s GLU 76 Ca -0.09 -0.09 -0.09 0.00 -0.15 0.00 0.00 54.97 54.54 3kl9 s GLU 76 Cb 0.10 0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 34.26 3kl9 s GLU 76 CO 0.86 -0.41 0.14 0.42 0.95 0.00 0.00 175.26 177.22 3kl9 s ILE 77 N -2.39 4.83 0.72 1.83 1.01 -1.26 -1.86 121.20 124.07 3kl9 s ILE 77 Ca -0.04 -0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 3kl9 s ILE 77 Cb -0.01 -3.32 0.03 0.00 0.01 0.00 0.00 42.46 39.18 3kl9 s ILE 77 CO -0.02 0.25 1.11 -0.54 0.00 0.00 0.00 174.94 175.74 3kl9 s LYS 78 N 1.68 2.49 0.43 2.79 -0.14 0.19 -4.94 119.74 122.24 3kl9 s LYS 78 Ca 0.06 1.32 0.11 0.00 -1.36 0.00 0.00 55.97 56.10 3kl9 s LYS 78 Cb -0.16 -1.92 0.97 0.00 -1.68 0.00 0.00 37.83 35.05 3kl9 s LYS 78 CO 0.07 -1.48 2.02 -1.35 -0.76 0.00 0.00 175.35 173.85 3kl9 h PRO 79 N -0.53 0.44 0.00 -1.68 0.11 -1.96 -0.78 132.00 127.60 3kl9 h PRO 79 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kl9 h PRO 79 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kl9 h PRO 79 CO 0.52 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 3kl9 n ASP 80 N -4.47 0.00 0.00 -2.05 5.75 -1.26 -0.91 116.55 113.60 3kl9 n ASP 80 Ca 0.07 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 3kl9 n ASP 80 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3kl9 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kl9 n GLY 81 N 0.36 1.12 3.93 6.12 0.00 -0.30 -3.96 105.19 112.47 3kl9 n GLY 81 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.65 2.04 -0.00 2.61 -4.23 -1.26 -4.69 115.64 107.46 3kl9 s THR 82 Ca 0.00 -0.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.50 3kl9 s THR 82 Cb 0.00 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 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 -3.67 1.72 0.00 3.99 0.08 0.81 -0.64 117.98 120.27 3kl9 s PHE 83 Ca 0.68 -0.33 -0.01 0.00 0.12 0.00 0.00 56.93 57.39 3kl9 s PHE 83 Cb -0.07 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 3kl9 s PHE 83 CO 0.50 -0.01 0.13 1.03 -0.10 0.00 0.00 175.22 176.77 3kl9 s ARG 84 N -0.59 3.22 0.34 0.44 1.81 -0.78 -1.32 118.95 122.06 3kl9 s ARG 84 Ca 0.07 -0.43 0.06 0.00 -1.72 0.00 0.00 55.73 53.72 3kl9 s ARG 84 Cb -0.08 -2.95 -0.07 0.00 -0.45 0.00 0.00 34.95 31.40 3kl9 s ARG 84 CO -0.00 0.65 -0.01 0.14 -0.68 0.00 0.00 175.30 175.40 3kl9 s VAL 85 N -1.27 1.74 0.05 3.52 -7.23 -1.26 -0.46 120.40 115.49 3kl9 s VAL 85 Ca 0.25 -2.07 0.08 0.00 -1.81 0.00 0.00 61.98 58.44 3kl9 s VAL 85 Cb -0.12 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 3kl9 s VAL 85 CO 0.17 -0.11 -0.23 0.54 -0.31 0.00 0.00 175.10 175.16 3kl9 s VAL 86 N -2.92 1.82 0.22 1.32 0.11 -0.08 -4.28 120.40 116.59 3kl9 s VAL 86 Ca 0.34 -1.27 -0.30 0.00 -2.93 0.00 0.00 61.98 57.82 3kl9 s VAL 86 Cb 0.07 -1.57 -0.09 0.00 -1.53 0.00 0.00 36.38 33.26 3kl9 s VAL 86 CO 0.16 0.25 0.97 -1.83 -3.33 0.00 0.00 175.10 171.32 3kl9 s GLU 87 N -1.21 4.80 -0.31 1.54 -1.05 -1.26 -1.38 118.70 119.83 3kl9 s GLU 87 Ca 0.09 1.53 0.00 0.00 -0.15 0.00 0.00 54.97 56.44 3kl9 s GLU 87 Cb -0.09 -3.28 0.07 0.00 -0.44 0.00 0.00 34.13 30.38 3kl9 s GLU 87 CO 0.02 0.42 0.01 0.42 0.95 0.00 0.00 175.26 177.08 3kl9 s ILE 88 N -0.98 2.72 0.00 1.83 1.01 -0.26 -4.91 121.20 120.61 3kl9 s ILE 88 Ca 0.43 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 59.38 3kl9 s ILE 88 Cb -0.26 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.52 3kl9 s ILE 88 CO 0.33 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.63 3kl9 n GLY 89 N 4.51 0.12 3.64 6.18 0.00 -1.26 -1.61 105.19 116.79 3kl9 n GLY 89 Ca -0.09 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.80 1.67 -0.08 -0.02 0.00 -1.26 -4.89 107.32 100.94 3kl9 s GLY 90 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.70 3kl9 s GLY 90 CO 0.00 2.08 -0.08 -0.98 0.00 0.00 0.00 173.10 174.13 3kl9 s TRP 91 N 3.23 2.92 -0.33 1.90 0.52 -1.26 -4.93 118.94 120.99 3kl9 s TRP 91 Ca 0.41 -0.04 -0.29 0.00 0.02 0.00 0.00 56.10 56.20 3kl9 s TRP 91 Cb -0.14 -1.73 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 3kl9 s TRP 91 CO 0.10 0.27 1.27 1.21 0.02 0.00 0.00 176.95 179.82 3kl9 s ASN 92 N -0.67 6.67 0.51 2.95 3.84 -1.26 -4.92 114.94 122.05 3kl9 s ASN 92 Ca 0.10 1.07 0.34 0.00 0.21 0.00 0.00 52.86 54.57 3kl9 s ASN 92 Cb -0.11 -2.54 1.83 0.00 -0.55 0.00 0.00 41.25 39.88 3kl9 s ASN 92 CO 0.02 -1.11 2.03 -0.65 -2.79 0.00 0.00 177.10 174.59 3kl9 h PRO 93 N 9.28 0.00 0.00 0.43 0.11 -1.98 -0.94 132.00 138.90 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 1.05 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.51 3kl9 n MET 94 N -2.70 0.01 -0.01 1.05 2.81 -1.26 -3.16 117.12 113.87 3kl9 n MET 94 Ca -0.02 0.22 0.04 0.00 -1.81 0.00 0.00 57.70 56.13 3kl9 n MET 94 Cb 0.07 -1.51 0.04 0.00 -0.71 0.00 0.00 33.22 31.10 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 -1.53 0.06 0.01 2.03 0.24 -0.36 -4.72 118.33 114.07 3kl9 n VAL 95 Ca 0.04 -0.53 -0.02 0.00 -2.04 0.00 0.00 64.34 61.79 3kl9 n VAL 95 Cb 0.19 1.12 -0.10 0.00 -1.47 0.00 0.00 33.84 33.58 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 0.41 1.21 -2.43 3.34 0.31 -1.19 -4.90 118.33 115.08 3kl9 n VAL 96 Ca 0.05 -0.71 -0.40 0.00 -0.01 0.00 0.00 64.34 63.26 3kl9 n VAL 96 Cb 0.20 -0.73 -0.04 0.00 -0.91 0.00 0.00 33.84 32.37 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 -5.74 7.20 -0.88 4.52 0.01 -1.26 -4.18 113.70 113.36 3kl9 s SER 97 Ca -0.04 2.32 -0.03 0.00 1.31 0.00 0.00 55.95 59.51 3kl9 s SER 97 Cb 0.09 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 3kl9 s SER 97 CO 0.82 -0.20 0.80 -1.20 0.41 0.00 0.00 173.24 173.87 3kl9 n SER 98 N 1.12 -7.21 -3.98 2.44 7.64 -1.10 -4.98 113.62 107.55 3kl9 n SER 98 Ca -0.01 -0.38 -0.11 0.00 1.01 0.00 0.00 58.87 59.39 3kl9 n SER 98 Cb 0.44 -5.24 -0.12 0.00 -1.01 0.00 0.00 64.21 58.29 3kl9 n SER 98 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3kl9 s GLN 99 N -3.67 0.31 0.34 1.43 -1.52 -1.25 -4.92 119.66 110.38 3kl9 s GLN 99 Ca 0.22 -0.51 -0.18 0.00 -1.95 0.00 0.00 55.36 52.94 3kl9 s GLN 99 Cb -0.03 -0.03 -0.10 0.00 -0.22 0.00 0.00 33.01 32.64 3kl9 s GLN 99 CO 0.74 -0.01 0.81 1.03 -0.25 0.00 0.00 175.29 177.61 3kl9 s ARG 100 N -1.14 4.16 0.12 2.91 0.52 -1.26 -1.94 118.95 122.31 3kl9 s ARG 100 Ca -0.11 0.89 -0.06 0.00 -0.52 0.00 0.00 55.73 55.93 3kl9 s ARG 100 Cb -0.08 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 3kl9 s ARG 100 CO -0.00 0.15 0.15 -0.06 0.02 0.00 0.00 175.30 175.56 3kl9 s PHE 101 N -1.93 0.48 -0.20 -0.53 0.08 0.92 -1.99 117.98 114.80 3kl9 s PHE 101 Ca 0.54 -0.89 -0.04 0.00 0.12 0.00 0.00 56.93 56.66 3kl9 s PHE 101 Cb -0.12 -0.22 -0.01 0.00 -0.57 0.00 0.00 43.02 42.10 3kl9 s PHE 101 CO 0.17 -0.57 -0.04 0.15 -0.10 0.00 0.00 175.22 174.83 3kl9 s LYS 102 N -3.96 3.44 -0.31 0.44 1.02 0.91 -1.77 119.74 119.52 3kl9 s LYS 102 Ca 0.14 -0.60 -0.21 0.00 0.02 0.00 0.00 55.97 55.32 3kl9 s LYS 102 Cb 0.05 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.38 3kl9 s LYS 102 CO -0.04 -0.09 0.66 -1.17 -0.92 0.00 0.00 175.35 173.79 3kl9 s LEU 103 N 1.20 4.15 -0.34 3.17 0.20 0.31 -0.70 118.68 126.68 3kl9 s LEU 103 Ca 0.03 0.42 -0.18 0.00 0.69 0.00 0.00 54.13 55.08 3kl9 s LEU 103 Cb -0.14 -2.85 -0.01 0.00 -0.43 0.00 0.00 46.19 42.75 3kl9 s LEU 103 CO -0.01 -0.52 0.50 -0.76 -0.29 0.00 0.00 176.35 175.27 3kl9 s LEU 104 N 2.69 4.31 0.26 -0.68 1.02 0.69 -1.55 118.68 125.42 3kl9 s LEU 104 Ca 0.26 0.02 -0.06 0.00 0.02 0.00 0.00 54.13 54.38 3kl9 s LEU 104 Cb -0.15 -2.57 -0.06 0.00 0.02 0.00 0.00 46.19 43.44 3kl9 s LEU 104 CO 0.12 -0.44 0.53 -0.89 0.02 0.00 0.00 176.35 175.69 3kl9 s THR 105 N 2.35 5.02 0.18 5.49 2.01 -0.89 -3.46 115.64 126.34 3kl9 s THR 105 Ca 0.18 0.12 -0.13 0.00 0.31 0.00 0.00 61.69 62.17 3kl9 s THR 105 Cb -0.16 -3.70 0.07 0.00 0.01 0.00 0.00 72.50 68.73 3kl9 s THR 105 CO 0.13 -0.23 1.80 -0.09 -0.69 0.00 0.00 174.62 175.53 3kl9 h ARG 106 N 1.97 0.53 -0.85 4.92 2.43 -1.89 -1.85 114.38 119.65 3kl9 h ARG 106 Ca -0.47 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3kl9 h ARG 106 Cb 1.18 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3kl9 h ARG 106 CO 0.67 0.35 0.00 -0.40 -1.51 0.00 0.00 179.97 179.08 3kl9 n ASP 107 N -4.85 0.85 -0.05 -3.80 5.68 -1.26 -4.83 116.55 108.28 3kl9 n ASP 107 Ca 0.04 -1.69 -0.01 0.00 -0.50 0.00 0.00 54.79 52.63 3kl9 n ASP 107 Cb 0.11 -0.42 -0.00 0.00 -1.14 0.00 0.00 41.12 39.66 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 0.08 0.38 3.74 6.12 0.00 -0.69 -5.03 105.19 109.79 3kl9 n GLY 108 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3kl9 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kl9 s HIS 109 N -1.69 2.23 -0.44 1.61 3.76 -1.26 -4.86 115.29 114.64 3kl9 s HIS 109 Ca 0.00 1.48 0.03 0.00 -0.15 0.00 0.00 55.06 56.41 3kl9 s HIS 109 Cb 0.00 -3.63 0.13 0.00 1.11 0.00 0.00 32.58 30.18 3kl9 s HIS 109 CO 0.00 -2.65 0.21 -1.21 -0.85 0.00 0.00 174.74 170.24 3kl9 s GLU 110 N -3.27 1.45 -0.20 1.40 2.02 -1.26 -2.09 118.70 116.75 3kl9 s GLU 110 Ca 0.79 -2.07 -0.10 0.00 0.02 0.00 0.00 54.97 53.61 3kl9 s GLU 110 Cb -0.35 -2.67 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 3kl9 s GLU 110 CO 0.38 -1.11 0.12 0.96 0.02 0.00 0.00 175.26 175.64 3kl9 s ILE 111 N 0.35 5.29 0.12 -1.63 -5.25 -0.60 -4.86 121.20 114.63 3kl9 s ILE 111 Ca 0.16 0.15 -0.31 0.00 -0.99 0.00 0.00 60.65 59.66 3kl9 s ILE 111 Cb -0.24 -3.41 -0.09 0.00 2.95 0.00 0.00 42.46 41.67 3kl9 s ILE 111 CO -0.03 0.44 1.62 -2.84 -1.79 0.00 0.00 174.94 172.34 3kl9 s PRO 112 N 0.37 4.20 -0.03 0.37 0.02 -1.26 -0.53 135.00 138.14 3kl9 s PRO 112 Ca 0.07 2.37 0.01 0.00 0.02 0.00 0.00 61.00 63.47 3kl9 s PRO 112 Cb -0.11 -3.36 0.01 0.00 0.02 0.00 0.00 34.50 31.06 3kl9 s PRO 112 CO -0.02 -0.67 -0.05 0.08 -0.33 0.00 0.00 177.00 176.01 3kl9 s VAL 113 N 1.84 0.48 0.38 3.83 1.01 -0.73 -4.51 120.40 122.70 3kl9 s VAL 113 Ca 0.72 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.64 3kl9 s VAL 113 Cb -0.42 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 3kl9 s VAL 113 CO 0.32 0.19 0.11 0.27 0.00 0.00 0.00 175.10 175.99 3kl9 s ILE 114 N 0.57 2.49 0.09 2.22 -4.36 0.89 -0.06 121.20 123.04 3kl9 s ILE 114 Ca -0.07 -1.80 0.03 0.00 -0.26 0.00 0.00 60.65 58.55 3kl9 s ILE 114 Cb -0.11 -2.94 -0.04 0.00 1.25 0.00 0.00 42.46 40.63 3kl9 s ILE 114 CO -0.00 -0.09 0.11 -0.94 0.24 0.00 0.00 174.94 174.26 3kl9 s SER 115 N -3.83 5.68 -0.02 4.36 1.04 -0.82 -0.07 113.70 120.05 3kl9 s SER 115 Ca 0.38 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.83 3kl9 s SER 115 Cb 0.02 -1.57 -0.00 0.00 0.10 0.00 0.00 66.02 64.57 3kl9 s SER 115 CO 0.21 0.16 -0.01 1.23 0.98 0.00 0.00 173.24 175.81 3kl9 h GLY 116 N 3.13 0.00 0.00 7.32 0.00 -1.51 -2.93 103.07 109.08 3kl9 h GLY 116 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3kl9 h GLY 116 CO 0.67 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.66 3kl9 n PRO 132 N -2.48 0.00 -3.00 4.80 -0.04 -1.26 -4.45 135.00 128.57 3kl9 n PRO 132 Ca -0.01 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 3kl9 n PRO 132 Cb 0.02 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.43 3kl9 n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kl9 s ALA 133 N 0.00 3.35 0.25 0.55 0.00 -1.26 -4.87 121.76 119.78 3kl9 s ALA 133 Ca 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 51.96 52.14 3kl9 s ALA 133 Cb 0.00 -2.99 0.35 0.00 0.00 0.00 0.00 23.12 20.49 3kl9 s ALA 133 CO 0.00 -0.01 1.86 0.82 0.00 0.00 0.00 175.76 178.43 3kl9 h ILE 134 N 4.40 1.06 0.00 0.00 2.04 -1.97 0.61 117.51 123.65 3kl9 h ILE 134 Ca -0.43 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3kl9 h ILE 134 Cb 1.20 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3kl9 h ILE 134 CO 0.73 0.19 0.00 0.00 0.00 0.00 0.00 178.15 179.07 3kl9 n ALA 135 N -2.36 1.35 0.80 1.87 0.00 -1.26 -1.27 120.51 119.64 3kl9 n ALA 135 Ca 0.13 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.65 3kl9 n ALA 135 Cb 0.18 -1.08 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.37 0.81 -4.69 0.00 8.00 0.20 -4.72 116.55 114.79 3kl9 n ASP 136 Ca 0.02 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.29 3kl9 n ASP 136 Cb 0.05 1.19 -0.03 0.00 -0.02 0.00 0.00 41.12 42.31 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 4.28 -0.04 0.53 1.01 -0.40 -4.98 121.20 118.52 3kl9 s ILE 137 Ca 0.05 1.60 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 3kl9 s ILE 137 Cb 0.16 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 3kl9 s ILE 137 CO 0.87 -0.00 1.43 -0.69 0.00 0.00 0.00 174.94 176.54 3kl9 s VAL 138 N 2.22 3.79 -0.16 2.92 1.01 -1.26 -4.58 120.40 124.34 3kl9 s VAL 138 Ca 0.55 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 63.58 3kl9 s VAL 138 Cb -0.24 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3kl9 s VAL 138 CO 0.22 -0.04 0.02 -0.36 0.00 0.00 0.00 175.10 174.94 3kl9 s PHE 139 N 2.91 3.16 -0.08 5.22 0.40 -0.44 -1.24 117.98 127.92 3kl9 s PHE 139 Ca 0.64 -0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.95 3kl9 s PHE 139 Cb -0.30 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.24 3kl9 s PHE 139 CO 0.25 0.13 -0.14 0.34 0.70 0.00 0.00 175.22 176.50 3kl9 s ASP 140 N 0.19 2.07 0.00 1.36 3.68 0.89 -0.13 116.67 124.73 3kl9 s ASP 140 Ca 0.02 -0.35 0.05 0.00 2.13 0.00 0.00 52.55 54.39 3kl9 s ASP 140 Cb -0.13 -0.95 0.10 0.00 -1.45 0.00 0.00 42.92 40.50 3kl9 s ASP 140 CO 0.01 0.05 0.94 0.61 0.13 0.00 0.00 175.17 176.91 3kl9 n GLY 141 N 3.83 1.36 2.54 2.66 0.00 -1.26 -0.08 105.19 114.24 3kl9 n GLY 141 Ca -0.22 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 0.10 0.01 3.89 -0.02 0.00 -1.26 -4.93 105.19 102.98 3kl9 n GLY 142 Ca 0.04 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.97 3.51 0.28 1.61 0.40 -1.26 -5.01 117.98 114.54 3kl9 s PHE 143 Ca 0.22 0.54 0.02 0.00 -0.60 0.00 0.00 56.93 57.11 3kl9 s PHE 143 Cb -0.10 -1.98 0.40 0.00 0.51 0.00 0.00 43.02 41.85 3kl9 s PHE 143 CO 0.27 0.50 1.71 0.00 0.70 0.00 0.00 175.22 178.40 3kl9 h ALA 144 N 3.21 1.08 -2.87 5.36 0.00 -1.93 -3.43 119.26 120.68 3kl9 h ALA 144 Ca -0.47 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.11 3kl9 h ALA 144 Cb 1.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3kl9 h ALA 144 CO 0.71 0.57 0.37 0.16 0.00 0.00 0.00 179.25 181.06 3kl9 s ASP 145 N -6.82 0.02 0.19 0.00 3.84 -1.25 -4.59 116.67 108.05 3kl9 s ASP 145 Ca -0.07 -1.03 -0.12 0.00 -0.00 0.00 0.00 52.55 51.32 3kl9 s ASP 145 Cb 0.14 0.76 0.21 0.00 -1.38 0.00 0.00 42.92 42.64 3kl9 s ASP 145 CO 0.79 -1.51 1.71 0.50 -0.00 0.00 0.00 175.17 176.67 3kl9 h LYS 146 N 2.00 0.23 -0.50 2.11 3.64 -1.10 -2.49 116.57 120.45 3kl9 h LYS 146 Ca -0.31 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3kl9 h LYS 146 Cb 1.24 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3kl9 h LYS 146 CO 0.40 0.15 0.31 0.00 -2.27 0.00 0.00 179.45 178.05 3kl9 h ALA 147 N 1.40 0.64 -0.58 5.00 0.00 -1.90 -0.52 119.26 123.30 3kl9 h ALA 147 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kl9 h ALA 147 Cb 0.36 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3kl9 h ALA 147 CO -0.34 0.11 0.37 1.49 0.00 0.00 0.00 179.25 180.88 3kl9 h GLU 148 N 0.67 0.78 -0.79 0.00 4.81 -1.92 0.75 114.58 118.89 3kl9 h GLU 148 Ca 0.18 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3kl9 h GLU 148 Cb -0.04 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.13 3kl9 h GLU 148 CO -0.04 0.54 0.51 0.00 -0.73 0.00 0.00 179.01 179.29 3kl9 h ALA 149 N 1.19 1.02 0.00 2.92 0.00 -1.10 -1.93 119.26 121.36 3kl9 h ALA 149 Ca 0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3kl9 h ALA 149 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3kl9 h ALA 149 CO -0.04 0.34 -0.45 0.93 0.00 0.00 0.00 179.25 180.02 3kl9 h GLU 150 N 1.00 0.00 0.00 0.00 5.08 -0.65 -2.65 114.58 117.35 3kl9 h GLU 150 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3kl9 h GLU 150 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3kl9 h GLU 150 CO -0.10 0.45 0.00 -1.13 -1.00 0.00 0.00 179.01 177.23 3kl9 n SER 151 N -3.95 0.57 -1.14 1.42 3.41 0.22 -0.99 113.62 113.16 3kl9 n SER 151 Ca -0.02 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 3kl9 n SER 151 Cb 0.48 -0.78 0.28 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.16 0.74 -0.86 7.33 3.01 -1.01 -4.93 117.46 119.58 3kl9 n PHE 152 Ca 0.01 -0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.11 3kl9 n PHE 152 Cb 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 3kl9 n PHE 152 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kl9 n GLY 153 N 1.50 0.48 3.71 1.37 0.00 -0.17 -4.88 105.19 107.21 3kl9 n GLY 153 Ca 0.21 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 4.94 0.08 -0.61 1.01 -1.20 -4.24 121.20 119.19 3kl9 s ILE 154 Ca 0.00 1.79 0.01 0.00 0.00 0.00 0.00 60.65 62.45 3kl9 s ILE 154 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 3kl9 s ILE 154 CO 0.00 0.20 -0.06 -0.13 0.00 0.00 0.00 174.94 174.95 3kl9 s ARG 155 N 0.89 0.73 0.38 2.79 1.81 -1.26 -4.38 118.95 119.91 3kl9 s ARG 155 Ca 0.46 -1.20 -0.26 0.00 -1.72 0.00 0.00 55.73 53.01 3kl9 s ARG 155 Cb -0.20 -0.15 -0.12 0.00 -0.45 0.00 0.00 34.95 34.04 3kl9 s ARG 155 CO 0.24 -0.02 1.04 -2.30 -0.68 0.00 0.00 175.30 173.58 3kl9 n PRO 156 N 0.28 1.45 0.00 3.54 -0.02 -1.26 -2.12 135.00 136.87 3kl9 n PRO 156 Ca -0.15 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3kl9 n PRO 156 Cb 0.60 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.14 1.06 3.75 -1.23 0.00 0.35 -5.00 105.19 105.27 3kl9 n GLY 157 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3kl9 n GLY 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kl9 s ASP 158 N -1.83 6.52 0.29 1.61 1.01 -0.90 -4.72 116.67 118.64 3kl9 s ASP 158 Ca 0.00 2.82 -0.28 0.00 0.71 0.00 0.00 52.55 55.80 3kl9 s ASP 158 Cb 0.00 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 3kl9 s ASP 158 CO 0.00 -0.79 0.99 0.28 0.21 0.00 0.00 175.17 175.86 3kl9 s THR 159 N -0.20 3.94 -0.23 -1.27 -1.32 -1.22 -1.34 115.64 114.00 3kl9 s THR 159 Ca 0.59 1.81 0.02 0.00 -1.21 0.00 0.00 61.69 62.90 3kl9 s THR 159 Cb -0.45 -4.09 0.05 0.00 -1.51 0.00 0.00 72.50 66.50 3kl9 s THR 159 CO 0.48 0.32 -0.11 -0.63 -2.21 0.00 0.00 174.62 172.47 3kl9 s ILE 160 N -1.34 1.89 -0.10 5.08 1.01 0.65 -0.23 121.20 128.17 3kl9 s ILE 160 Ca 0.46 -1.30 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 3kl9 s ILE 160 Cb -0.25 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 3kl9 s ILE 160 CO 0.31 0.08 -0.07 -0.69 0.00 0.00 0.00 174.94 174.57 3kl9 s VAL 161 N 1.26 3.62 0.19 2.92 1.01 0.13 -1.04 120.40 128.47 3kl9 s VAL 161 Ca -0.05 -0.49 -0.33 0.00 0.00 0.00 0.00 61.98 61.11 3kl9 s VAL 161 Cb -0.18 -2.51 -0.14 0.00 0.00 0.00 0.00 36.38 33.56 3kl9 s VAL 161 CO -0.07 0.56 1.55 -2.65 0.00 0.00 0.00 175.10 174.49 3kl9 n PRO 162 N 2.76 2.19 -3.42 2.72 -0.02 -1.26 -0.06 135.00 137.90 3kl9 n PRO 162 Ca -0.18 0.79 -0.44 0.00 -2.02 0.00 0.00 63.50 61.65 3kl9 n PRO 162 Cb 0.53 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.78 6.09 -0.21 2.55 2.15 -0.84 -4.76 116.67 122.43 3kl9 s ASP 163 Ca 0.76 -1.28 -0.11 0.00 0.43 0.00 0.00 52.55 52.35 3kl9 s ASP 163 Cb -0.65 -2.16 0.07 0.00 -0.30 0.00 0.00 42.92 39.88 3kl9 s ASP 163 CO 0.40 -0.61 0.50 -0.55 -0.17 0.00 0.00 175.17 174.75 3kl9 s SER 164 N 2.42 -0.64 0.47 -0.34 0.15 -1.26 -4.65 113.70 109.85 3kl9 s SER 164 Ca 0.04 1.12 -0.03 0.00 0.70 0.00 0.00 55.95 57.77 3kl9 s SER 164 Cb -0.23 1.08 -0.02 0.00 -1.71 0.00 0.00 66.02 65.13 3kl9 s SER 164 CO 0.07 -0.21 0.74 -0.94 1.20 0.00 0.00 173.24 174.10 3kl9 s SER 165 N 1.67 6.10 -0.10 5.45 1.04 -1.26 -4.45 113.70 122.15 3kl9 s SER 165 Ca -0.09 0.71 -0.23 0.00 0.48 0.00 0.00 55.95 56.83 3kl9 s SER 165 Cb -0.08 -2.01 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 3kl9 s SER 165 CO -0.15 -0.62 0.67 0.00 0.98 0.00 0.00 173.24 174.12 3kl9 s ALA 166 N -2.67 3.39 0.09 5.32 0.00 -1.26 -4.38 121.76 122.25 3kl9 s ALA 166 Ca 0.47 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.52 3kl9 s ALA 166 Cb -0.10 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 3kl9 s ALA 166 CO 0.42 -0.18 -0.14 0.96 0.00 0.00 0.00 175.76 176.81 3kl9 s ILE 167 N 1.01 1.23 0.26 0.00 -4.36 0.77 -4.98 121.20 115.13 3kl9 s ILE 167 Ca 0.35 -1.49 -0.29 0.00 -0.26 0.00 0.00 60.65 58.96 3kl9 s ILE 167 Cb -0.17 -1.29 -0.09 0.00 1.25 0.00 0.00 42.46 42.16 3kl9 s ILE 167 CO 0.16 -0.30 0.97 -0.22 0.24 0.00 0.00 174.94 175.79 3kl9 s LEU 168 N -2.04 4.59 0.85 0.37 2.96 -1.26 0.34 118.68 124.47 3kl9 s LEU 168 Ca 0.03 1.99 -0.12 0.00 -0.22 0.00 0.00 54.13 55.81 3kl9 s LEU 168 Cb -0.08 -3.68 0.10 0.00 0.50 0.00 0.00 46.19 43.04 3kl9 s LEU 168 CO 0.03 0.07 1.13 0.42 -1.32 0.00 0.00 176.35 176.67 3kl9 s THR 169 N -1.24 2.43 0.25 3.68 -4.23 -0.44 -4.85 115.64 111.24 3kl9 s THR 169 Ca 0.43 0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 3kl9 s THR 169 Cb -0.26 -2.95 0.23 0.00 1.34 0.00 0.00 72.50 70.87 3kl9 s THR 169 CO 0.32 -0.18 1.80 0.00 -0.54 0.00 0.00 174.62 176.02 3kl9 h ALA 170 N -1.24 1.25 0.00 3.99 0.00 -1.98 0.22 119.26 121.50 3kl9 h ALA 170 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kl9 h ALA 170 Cb 1.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kl9 h ALA 170 CO 0.62 0.07 0.00 0.27 0.00 0.00 0.00 179.25 180.21 3kl9 n ASN 171 N -4.75 0.00 -1.69 0.00 0.23 -1.26 -4.92 115.26 102.86 3kl9 n ASN 171 Ca 0.15 0.33 -0.16 0.00 -0.53 0.00 0.00 54.58 54.37 3kl9 n ASN 171 Cb 0.33 -0.44 -0.02 0.00 -2.08 0.00 0.00 39.78 37.56 3kl9 n ASN 171 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3kl9 n GLU 172 N -1.44 -1.25 -0.00 -3.83 1.02 0.07 -4.84 120.64 110.36 3kl9 n GLU 172 Ca 0.09 0.86 0.03 0.00 -0.02 0.00 0.00 57.16 58.12 3kl9 n GLU 172 Cb 0.31 -5.21 -0.05 0.00 -0.02 0.00 0.00 31.44 26.48 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 -2.55 2.03 -4.35 3.49 4.76 -1.26 -4.96 118.16 115.31 3kl9 n LYS 173 Ca -0.18 -0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.01 3kl9 n LYS 173 Cb 0.62 -1.02 -0.11 0.00 -1.84 0.00 0.00 35.03 32.68 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 -2.32 2.72 0.15 4.39 0.01 -1.26 -2.19 114.94 116.43 3kl9 s ASN 174 Ca -0.01 -0.94 0.11 0.00 -0.71 0.00 0.00 52.86 51.31 3kl9 s ASN 174 Cb 0.05 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.50 3kl9 s ASN 174 CO 0.28 -0.08 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.90 3kl9 s ILE 175 N -2.46 2.21 -0.17 0.60 1.01 0.36 -1.32 121.20 121.42 3kl9 s ILE 175 Ca 0.20 -1.82 0.01 0.00 0.00 0.00 0.00 60.65 59.04 3kl9 s ILE 175 Cb -0.04 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.47 3kl9 s ILE 175 CO 0.07 0.00 -0.19 -0.63 0.00 0.00 0.00 174.94 174.19 3kl9 s ILE 176 N -1.28 1.99 0.38 2.92 1.01 0.15 -2.04 121.20 124.33 3kl9 s ILE 176 Ca 0.15 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 3kl9 s ILE 176 Cb -0.09 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.62 3kl9 s ILE 176 CO 0.07 0.53 0.68 -1.54 0.00 0.00 0.00 174.94 174.68 3kl9 n SER 177 N 4.62 -1.96 -4.93 3.58 3.41 -0.60 -0.16 113.62 117.58 3kl9 n SER 177 Ca -0.20 -2.72 -0.26 0.00 -0.26 0.00 0.00 58.87 55.43 3kl9 n SER 177 Cb 0.50 3.38 -0.00 0.00 -0.26 0.00 0.00 64.21 67.83 3kl9 n SER 177 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3kl9 s LYS 178 N -2.36 3.41 -1.82 4.33 -2.85 -1.24 -0.10 119.74 119.11 3kl9 s LYS 178 Ca 0.21 -0.08 0.00 0.00 -1.00 0.00 0.00 55.97 55.10 3kl9 s LYS 178 Cb -0.03 -2.49 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 3kl9 s LYS 178 CO 0.15 -0.14 0.00 0.00 0.10 0.00 0.00 175.35 175.47 3kl9 n ALA 179 N -2.11 -0.45 0.07 0.59 0.00 -1.26 -4.81 120.51 112.55 3kl9 n ALA 179 Ca -0.01 0.24 0.14 0.00 0.00 0.00 0.00 53.44 53.81 3kl9 n ALA 179 Cb 0.56 -1.94 0.63 0.00 0.00 0.00 0.00 19.45 18.70 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 0.10 -2.91 0.00 -0.00 -1.93 -0.80 115.95 110.40 3kl9 h TRP 180 Ca -0.41 0.00 -0.62 0.00 -0.00 0.00 0.00 58.89 57.86 3kl9 h TRP 180 Cb 1.27 -0.03 -0.13 0.00 -0.00 0.00 0.00 29.16 30.26 3kl9 h TRP 180 CO 0.56 0.05 0.56 0.34 -0.00 0.00 0.00 178.44 179.95 3kl9 s ASP 181 N -6.53 6.25 -0.26 2.65 2.15 -1.26 -1.19 116.67 118.48 3kl9 s ASP 181 Ca -0.06 -0.67 0.17 0.00 0.43 0.00 0.00 52.55 52.42 3kl9 s ASP 181 Cb 0.19 -2.43 0.48 0.00 -0.30 0.00 0.00 42.92 40.86 3kl9 s ASP 181 CO 0.71 -1.34 1.15 -3.20 -0.17 0.00 0.00 175.17 172.32 3kl9 n ASN 182 N 7.63 2.85 0.09 -0.34 4.05 -1.02 -4.68 115.26 123.84 3kl9 n ASN 182 Ca -0.01 -2.74 0.11 0.00 0.45 0.00 0.00 54.58 52.38 3kl9 n ASN 182 Cb 0.47 -0.42 0.44 0.00 1.23 0.00 0.00 39.78 41.50 3kl9 n ASN 182 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3kl9 n ARG 183 N -0.61 0.14 0.09 1.20 5.12 -0.34 -1.22 116.66 121.05 3kl9 n ARG 183 Ca 0.22 0.36 -0.13 0.00 -1.93 0.00 0.00 57.85 56.36 3kl9 n ARG 183 Cb 0.88 -1.77 -0.06 0.00 -1.16 0.00 0.00 32.46 30.35 3kl9 n ARG 183 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 3kl9 h TYR 184 N 0.00 -0.99 -0.42 -1.55 5.03 -1.35 -1.66 116.97 116.03 3kl9 h TYR 184 Ca 0.00 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.27 3kl9 h TYR 184 Cb 0.36 0.43 -0.02 0.00 1.55 0.00 0.00 36.73 39.05 3kl9 h TYR 184 CO 0.00 -0.45 -0.04 0.78 -1.32 0.00 0.00 178.16 177.13 3kl9 h GLY 185 N -0.55 0.75 0.82 1.82 0.00 -1.36 0.29 103.07 104.84 3kl9 h GLY 185 Ca 0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3kl9 h GLY 185 CO -0.25 0.46 -0.36 -2.08 0.00 0.00 0.00 176.54 174.32 3kl9 h VAL 186 N 0.65 0.27 -0.76 4.60 2.07 -1.34 -1.33 116.25 120.40 3kl9 h VAL 186 Ca 0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 3kl9 h VAL 186 Cb 0.46 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3kl9 h VAL 186 CO 0.02 0.00 0.47 0.25 0.02 0.00 0.00 177.57 178.33 3kl9 h LEU 187 N -0.87 0.90 -0.49 2.57 6.46 -1.21 -1.87 115.31 120.80 3kl9 h LEU 187 Ca -0.06 -0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.71 3kl9 h LEU 187 Cb 0.71 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 40.36 3kl9 h LEU 187 CO 0.05 0.69 0.17 -0.03 -0.62 0.00 0.00 178.44 178.70 3kl9 h MET 188 N 1.03 0.34 -0.35 1.25 4.05 -0.81 0.43 114.93 120.87 3kl9 h MET 188 Ca 0.27 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.64 3kl9 h MET 188 Cb -0.06 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 3kl9 h MET 188 CO -0.05 0.22 0.07 0.28 0.23 0.00 0.00 176.91 177.66 3kl9 h VAL 189 N 0.35 1.23 -0.61 -5.77 2.07 -1.01 -2.04 116.25 110.47 3kl9 h VAL 189 Ca 0.23 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3kl9 h VAL 189 Cb 0.24 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3kl9 h VAL 189 CO -0.24 0.27 0.39 -1.28 0.02 0.00 0.00 177.57 176.73 3kl9 h SER 190 N 0.42 0.66 -0.13 0.57 0.87 -0.94 -0.99 113.55 114.00 3kl9 h SER 190 Ca 0.11 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 3kl9 h SER 190 Cb 0.33 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3kl9 h SER 190 CO 0.00 0.47 -0.17 -0.33 -0.53 0.00 0.00 176.83 176.27 3kl9 h GLU 191 N 0.78 0.53 -0.42 2.24 4.39 -0.85 -2.77 114.58 118.48 3kl9 h GLU 191 Ca 0.23 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 3kl9 h GLU 191 Cb -0.04 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3kl9 h GLU 191 CO -0.07 0.68 0.15 1.25 -1.16 0.00 0.00 179.01 179.86 3kl9 h LEU 192 N 0.48 0.60 -0.64 1.33 6.46 -0.89 -0.84 115.31 121.80 3kl9 h LEU 192 Ca 0.08 -0.18 0.07 0.00 -0.12 0.00 0.00 57.88 57.72 3kl9 h LEU 192 Cb 0.58 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 3kl9 h LEU 192 CO 0.04 0.62 0.34 0.00 -0.62 0.00 0.00 178.44 178.82 3kl9 h ALA 193 N 1.00 0.86 -0.10 1.25 0.00 -0.93 -1.50 119.26 119.84 3kl9 h ALA 193 Ca 0.14 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kl9 h ALA 193 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kl9 h ALA 193 CO -0.01 -0.01 -0.21 1.49 0.00 0.00 0.00 179.25 180.51 3kl9 h GLU 194 N 0.61 0.31 -0.56 0.00 4.81 -1.38 -2.64 114.58 115.74 3kl9 h GLU 194 Ca 0.30 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3kl9 h GLU 194 Cb 0.23 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3kl9 h GLU 194 CO -0.20 0.81 0.37 0.00 -0.73 0.00 0.00 179.01 179.26 3kl9 h ALA 195 N 0.50 1.61 -0.04 2.92 0.00 -0.97 -2.49 119.26 120.79 3kl9 h ALA 195 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kl9 h ALA 195 Cb 0.81 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kl9 h ALA 195 CO 0.05 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.94 3kl9 n LEU 196 N -4.45 1.48 -0.09 0.00 4.32 -0.58 -4.53 117.00 113.14 3kl9 n LEU 196 Ca 0.05 -0.52 -0.12 0.00 -0.02 0.00 0.00 56.01 55.40 3kl9 n LEU 196 Cb 0.05 -0.02 -0.07 0.00 -1.62 0.00 0.00 43.42 41.76 3kl9 n LEU 196 CO 0.36 0.26 0.54 -1.28 -1.22 0.00 0.00 177.39 176.05 3kl9 h SER 197 N 2.25 -1.61 0.24 -1.43 0.87 -1.06 -1.65 113.55 111.15 3kl9 h SER 197 Ca 0.00 0.22 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 3kl9 h SER 197 Cb 0.48 0.67 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 3kl9 h SER 197 CO 0.00 -0.41 -0.46 1.23 -0.53 0.00 0.00 176.83 176.66 3kl9 h GLY 198 N -0.42 0.30 -1.73 5.77 0.00 -1.82 -3.47 103.07 101.69 3kl9 h GLY 198 Ca 0.09 -0.30 -0.53 0.00 0.00 0.00 0.00 47.33 46.59 3kl9 h GLY 198 CO -0.54 0.27 -0.14 -1.06 0.00 0.00 0.00 176.54 175.07 3kl9 n GLN 199 N -3.99 -0.20 -4.44 4.80 1.13 -0.62 -5.06 117.38 109.00 3kl9 n GLN 199 Ca -0.02 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.82 3kl9 n GLN 199 Cb 0.52 -2.12 -0.16 0.00 0.11 0.00 0.00 30.24 28.58 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 -3.95 1.34 0.23 -1.09 -2.85 -1.26 -5.06 119.74 107.10 3kl9 s LYS 200 Ca 0.64 -0.31 0.08 0.00 -1.00 0.00 0.00 55.97 55.38 3kl9 s LYS 200 Cb -0.25 -1.17 -0.04 0.00 -2.06 0.00 0.00 37.83 34.32 3kl9 s LYS 200 CO 0.60 0.01 0.03 -0.51 0.10 0.00 0.00 175.35 175.59 3kl9 s LEU 201 N 0.65 3.35 0.00 2.77 1.43 -1.26 -5.01 118.68 120.60 3kl9 s LEU 201 Ca -0.12 -0.49 0.26 0.00 -1.03 0.00 0.00 54.13 52.75 3kl9 s LEU 201 Cb -0.14 -1.92 1.55 0.00 0.03 0.00 0.00 46.19 45.71 3kl9 s LEU 201 CO 0.02 0.02 1.98 0.61 0.23 0.00 0.00 176.35 179.22 3kl9 n GLY 202 N -0.68 -0.98 3.32 -3.19 0.00 -1.26 -4.41 105.19 98.00 3kl9 n GLY 202 Ca -0.08 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.83 2.56 -0.57 1.61 2.20 -1.23 -4.17 114.94 113.51 3kl9 s ASN 203 Ca 0.39 -0.88 -0.26 0.00 -0.94 0.00 0.00 52.86 51.16 3kl9 s ASN 203 Cb 0.18 -0.14 0.04 0.00 -2.00 0.00 0.00 41.25 39.32 3kl9 s ASN 203 CO 0.30 -0.07 1.09 -0.70 -2.94 0.00 0.00 177.10 174.77 3kl9 s GLU 204 N -2.92 3.42 -0.26 3.55 2.56 0.11 -4.38 118.70 120.79 3kl9 s GLU 204 Ca 0.16 0.01 -0.20 0.00 0.00 0.00 0.00 54.97 54.94 3kl9 s GLU 204 Cb -0.05 -4.04 -0.02 0.00 2.00 0.00 0.00 34.13 32.03 3kl9 s GLU 204 CO 0.06 -1.62 0.61 -1.17 -0.56 0.00 0.00 175.26 172.58 3kl9 s LEU 205 N 4.55 4.07 -0.29 2.70 2.96 -0.92 -0.23 118.68 131.52 3kl9 s LEU 205 Ca 0.37 0.62 -0.08 0.00 -0.22 0.00 0.00 54.13 54.82 3kl9 s LEU 205 Cb -0.10 -2.81 -0.00 0.00 0.50 0.00 0.00 46.19 43.78 3kl9 s LEU 205 CO 0.22 -0.37 0.11 -0.31 -1.32 0.00 0.00 176.35 174.68 3kl9 s TYR 206 N 2.48 3.15 -0.19 5.38 1.51 0.12 -0.14 117.35 129.67 3kl9 s TYR 206 Ca 0.25 -0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 55.60 3kl9 s TYR 206 Cb -0.15 -2.29 0.05 0.00 -0.11 0.00 0.00 41.96 39.45 3kl9 s TYR 206 CO 0.09 -0.49 -0.02 -1.17 -1.11 0.00 0.00 175.55 172.85 3kl9 s LEU 207 N 1.57 1.68 0.00 -1.29 0.20 0.12 -0.08 118.68 120.88 3kl9 s LEU 207 Ca 0.04 -0.82 0.00 0.00 0.69 0.00 0.00 54.13 54.04 3kl9 s LEU 207 Cb -0.17 -0.86 0.00 0.00 -0.43 0.00 0.00 46.19 44.73 3kl9 s LEU 207 CO 0.04 -0.24 0.00 0.61 -0.29 0.00 0.00 176.35 176.47 3kl9 n GLY 208 N 4.89 2.11 3.12 7.98 0.00 -0.07 0.13 105.19 123.35 3kl9 n GLY 208 Ca -0.11 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.30 0.90 1.61 0.15 -0.36 -2.01 113.70 115.69 3kl9 s SER 209 Ca 0.00 0.58 -0.13 0.00 0.70 0.00 0.00 55.95 57.10 3kl9 s SER 209 Cb 0.00 0.51 0.13 0.00 -1.71 0.00 0.00 66.02 64.95 3kl9 s SER 209 CO 0.00 -0.14 1.16 0.20 1.20 0.00 0.00 173.24 175.65 3kl9 s ASN 210 N 0.85 3.63 0.18 5.45 0.01 0.19 -3.03 114.94 122.21 3kl9 s ASN 210 Ca -0.06 0.87 0.08 0.00 -0.71 0.00 0.00 52.86 53.05 3kl9 s ASN 210 Cb -0.07 -1.39 -0.04 0.00 0.41 0.00 0.00 41.25 40.16 3kl9 s ASN 210 CO -0.06 -2.47 -0.05 0.54 -1.51 0.00 0.00 177.10 173.56 3kl9 s VAL 211 N -3.37 3.45 -1.47 1.60 0.11 -1.26 -1.87 120.40 117.59 3kl9 s VAL 211 Ca 0.64 -1.55 -0.05 0.00 -2.93 0.00 0.00 61.98 58.09 3kl9 s VAL 211 Cb -0.13 -2.72 0.04 0.00 -1.53 0.00 0.00 36.38 32.04 3kl9 s VAL 211 CO 0.52 -0.11 0.58 0.00 -3.33 0.00 0.00 175.10 172.76 3kl9 n GLN 212 N -0.05 -3.65 0.06 1.54 6.02 -1.26 -0.72 117.38 119.33 3kl9 n GLN 212 Ca -0.10 0.44 -0.17 0.00 -0.01 0.00 0.00 57.00 57.16 3kl9 n GLN 212 Cb 0.55 -4.80 -0.08 0.00 1.02 0.00 0.00 30.24 26.93 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 -1.80 0.56 0.00 -1.09 4.22 -1.90 -0.06 114.58 114.51 3kl9 h GLU 213 Ca -0.62 -0.61 0.00 0.00 0.08 0.00 0.00 59.36 58.21 3kl9 h GLU 213 Cb 1.38 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.80 3kl9 h GLU 213 CO 0.66 1.23 0.00 0.93 -2.18 0.00 0.00 179.01 179.64 3kl9 h GLU 214 N 0.31 0.00 -0.36 1.92 4.39 -1.90 -1.09 114.58 117.84 3kl9 h GLU 214 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3kl9 h GLU 214 Cb 1.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 3kl9 h GLU 214 CO 0.19 0.00 0.00 1.33 -1.16 0.00 0.00 179.01 179.37 3kl9 n VAL 215 N -2.59 2.02 0.00 3.13 0.24 -1.25 -4.03 118.33 115.85 3kl9 n VAL 215 Ca 0.01 -1.56 0.00 0.00 -2.04 0.00 0.00 64.34 60.75 3kl9 n VAL 215 Cb 0.24 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 3kl9 n VAL 215 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kl9 n GLY 216 N 0.04 1.06 3.48 7.63 0.00 -1.05 -4.82 105.19 111.53 3kl9 n GLY 216 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.89 -0.04 0.99 4.77 -0.44 -4.90 117.00 114.49 3kl9 n LEU 217 Ca 0.00 -0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 55.34 3kl9 n LEU 217 Cb 0.00 -2.86 -0.08 0.00 -2.33 0.00 0.00 43.42 38.15 3kl9 n LEU 217 CO 0.00 0.46 0.61 0.03 -1.33 0.00 0.00 177.39 177.17 3kl9 h ARG 218 N -2.09 0.24 0.00 3.23 3.08 -1.18 -2.74 114.38 114.93 3kl9 h ARG 218 Ca -0.55 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.34 3kl9 h ARG 218 Cb 1.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 3kl9 h ARG 218 CO 0.58 0.66 -0.12 0.78 -1.07 0.00 0.00 179.97 180.80 3kl9 h GLY 219 N -0.16 0.00 1.43 0.04 0.00 -1.04 -2.90 103.07 100.43 3kl9 h GLY 219 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3kl9 h GLY 219 CO 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.52 3kl9 h ALA 220 N 1.88 1.15 -0.20 3.60 0.00 -1.66 -1.12 119.26 122.89 3kl9 h ALA 220 Ca -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3kl9 h ALA 220 Cb 0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3kl9 h ALA 220 CO 0.02 0.55 -0.05 0.45 0.00 0.00 0.00 179.25 180.21 3kl9 h HIS 221 N 0.65 -0.12 0.21 0.00 -0.00 -1.47 -3.07 115.15 111.35 3kl9 h HIS 221 Ca 0.12 0.02 -0.31 0.00 -0.00 0.00 0.00 60.37 60.21 3kl9 h HIS 221 Cb 0.47 0.08 0.03 0.00 -0.00 0.00 0.00 27.41 27.99 3kl9 h HIS 221 CO 0.02 -0.09 -1.40 1.79 -0.00 0.00 0.00 177.93 178.25 3kl9 h THR 222 N -0.01 1.25 0.25 2.45 1.35 -1.53 -2.65 112.91 114.02 3kl9 h THR 222 Ca 0.10 -2.62 -0.01 0.00 -0.55 0.00 0.00 66.41 63.33 3kl9 h THR 222 Cb 0.16 3.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 3kl9 h THR 222 CO -0.21 0.79 -0.12 0.77 -0.25 0.00 0.00 175.52 176.51 3kl9 h SER 223 N 0.01 -0.28 -0.60 5.36 4.64 -1.35 -1.30 113.55 120.03 3kl9 h SER 223 Ca -0.25 -0.19 0.12 0.00 -0.47 0.00 0.00 61.79 60.99 3kl9 h SER 223 Cb 2.03 0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 64.10 3kl9 h SER 223 CO 0.22 0.05 0.09 0.74 -0.87 0.00 0.00 176.83 177.06 3kl9 h THR 224 N -0.63 0.59 -0.49 2.95 2.02 -1.65 -1.07 112.91 114.62 3kl9 h THR 224 Ca -0.03 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3kl9 h THR 224 Cb 0.45 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3kl9 h THR 224 CO 0.06 0.04 0.31 0.74 0.37 0.00 0.00 175.52 177.03 3kl9 h THR 225 N 0.21 1.14 -0.21 3.16 2.02 -1.42 -2.08 112.91 115.73 3kl9 h THR 225 Ca 0.32 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3kl9 h THR 225 Cb 0.49 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3kl9 h THR 225 CO -0.44 0.14 0.09 0.50 0.37 0.00 0.00 175.52 176.18 3kl9 h LYS 226 N 0.66 0.30 -0.15 6.66 3.64 -0.04 -3.22 116.57 124.42 3kl9 h LYS 226 Ca 0.18 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3kl9 h LYS 226 Cb -0.03 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3kl9 h LYS 226 CO -0.04 0.35 0.00 1.19 -2.27 0.00 0.00 179.45 178.69 3kl9 n PHE 227 N -4.83 0.17 -3.83 1.91 0.99 -0.56 -5.00 117.46 106.31 3kl9 n PHE 227 Ca -0.04 -0.09 -0.30 0.00 -0.00 0.00 0.00 57.45 57.03 3kl9 n PHE 227 Cb 0.12 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 38.60 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 1.24 -4.24 -4.88 4.37 4.64 -0.78 -4.92 116.55 111.97 3kl9 n ASP 228 Ca 0.16 -1.01 -0.30 0.00 -1.38 0.00 0.00 54.79 52.26 3kl9 n ASP 228 Cb 0.57 -1.47 0.04 0.00 -1.04 0.00 0.00 41.12 39.22 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 -5.56 2.94 -0.11 -0.67 0.04 -1.26 -4.82 135.00 125.55 3kl9 s PRO 229 Ca 0.14 0.48 0.12 0.00 0.04 0.00 0.00 61.00 61.79 3kl9 s PRO 229 Cb -0.08 -2.03 -0.24 0.00 0.04 0.00 0.00 34.50 32.19 3kl9 s PRO 229 CO 0.86 -0.98 0.39 0.39 0.04 0.00 0.00 177.00 177.70 3kl9 n GLU 230 N -2.97 0.66 -3.94 4.56 1.02 -0.71 -4.86 120.64 114.39 3kl9 n GLU 230 Ca 0.07 0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 57.26 3kl9 n GLU 230 Cb 0.57 -1.68 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 3kl9 n GLU 230 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kl9 s VAL 231 N -2.55 0.10 -0.04 2.62 1.01 -1.24 -3.95 120.40 116.35 3kl9 s VAL 231 Ca -0.10 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3kl9 s VAL 231 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.35 3kl9 s VAL 231 CO 0.81 0.00 -0.14 0.12 0.00 0.00 0.00 175.10 175.90 3kl9 s PHE 232 N -0.10 1.44 -0.26 5.22 2.19 -0.52 -2.43 117.98 123.52 3kl9 s PHE 232 Ca -0.00 -0.43 0.00 0.00 0.33 0.00 0.00 56.93 56.83 3kl9 s PHE 232 Cb -0.01 -1.00 0.04 0.00 -1.31 0.00 0.00 43.02 40.74 3kl9 s PHE 232 CO -0.00 -0.18 -0.07 -0.51 1.83 0.00 0.00 175.22 176.29 3kl9 s LEU 233 N 0.24 3.39 0.26 6.12 1.02 -0.15 -2.68 118.68 126.88 3kl9 s LEU 233 Ca -0.06 -1.14 -0.25 0.00 0.02 0.00 0.00 54.13 52.69 3kl9 s LEU 233 Cb -0.12 -1.62 -0.09 0.00 0.02 0.00 0.00 46.19 44.38 3kl9 s LEU 233 CO 0.02 -0.18 0.87 0.00 0.02 0.00 0.00 176.35 177.08 3kl9 s ALA 234 N 1.23 3.32 -0.31 4.21 0.00 0.56 -1.54 121.76 129.23 3kl9 s ALA 234 Ca -0.04 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.38 3kl9 s ALA 234 Cb -0.18 -3.07 0.09 0.00 0.00 0.00 0.00 23.12 19.96 3kl9 s ALA 234 CO -0.04 0.24 0.01 0.08 0.00 0.00 0.00 175.76 176.04 3kl9 s VAL 235 N -1.45 1.96 0.10 0.00 1.01 -0.30 0.12 120.40 121.84 3kl9 s VAL 235 Ca 0.45 -1.93 -0.06 0.00 0.00 0.00 0.00 61.98 60.43 3kl9 s VAL 235 Cb -0.20 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3kl9 s VAL 235 CO 0.25 -0.44 0.15 -0.62 0.00 0.00 0.00 175.10 174.44 3kl9 s ASP 236 N 1.11 0.20 0.27 3.32 3.68 -1.21 -4.24 116.67 119.81 3kl9 s ASP 236 Ca 0.05 -0.83 0.09 0.00 2.13 0.00 0.00 52.55 53.98 3kl9 s ASP 236 Cb -0.19 0.32 -0.04 0.00 -1.45 0.00 0.00 42.92 41.56 3kl9 s ASP 236 CO -0.10 -0.73 0.08 0.00 0.13 0.00 0.00 175.17 174.55 3kl9 s SER 238 N -3.75 1.40 0.36 0.00 0.01 0.65 -4.91 113.70 107.45 3kl9 s SER 238 Ca 0.33 -1.15 -0.28 0.00 1.31 0.00 0.00 55.95 56.15 3kl9 s SER 238 Cb -0.06 0.08 -0.11 0.00 0.21 0.00 0.00 66.02 66.14 3kl9 s SER 238 CO 0.22 -0.52 1.51 -2.84 0.41 0.00 0.00 173.24 172.01 3kl9 s PRO 239 N -3.88 4.11 -0.08 12.44 0.02 -1.26 -0.79 135.00 145.57 3kl9 s PRO 239 Ca 0.23 2.57 -0.16 0.00 0.02 0.00 0.00 61.00 63.67 3kl9 s PRO 239 Cb 0.05 -2.98 -0.05 0.00 0.02 0.00 0.00 34.50 31.54 3kl9 s PRO 239 CO 0.04 -0.55 0.40 0.00 -0.33 0.00 0.00 177.00 176.56 3kl9 s ALA 240 N -0.88 3.60 -1.53 -1.55 0.00 0.23 -4.56 121.76 117.07 3kl9 s ALA 240 Ca 0.55 -0.27 0.13 0.00 0.00 0.00 0.00 51.96 52.37 3kl9 s ALA 240 Cb -0.47 -2.47 0.12 0.00 0.00 0.00 0.00 23.12 20.30 3kl9 s ALA 240 CO 0.60 0.23 0.93 0.41 0.00 0.00 0.00 175.76 177.92 3kl9 n GLY 241 N 2.68 0.02 0.35 0.00 0.00 -0.44 -4.70 105.19 103.10 3kl9 n GLY 241 Ca -0.11 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.62 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 2.45 0.82 1.12 1.61 3.04 -1.36 0.14 116.42 124.24 3kl9 h ASP 242 Ca 0.00 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 3kl9 h ASP 242 Cb 0.54 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.73 3kl9 h ASP 242 CO 0.00 0.41 0.00 0.55 -2.04 0.00 0.00 179.24 178.16 3kl9 n VAL 243 N -4.69 0.68 -1.19 4.15 3.14 -1.26 -2.62 118.33 116.53 3kl9 n VAL 243 Ca 0.19 -0.05 0.06 0.00 -2.96 0.00 0.00 64.34 61.58 3kl9 n VAL 243 Cb 0.39 -0.84 0.20 0.00 -1.06 0.00 0.00 33.84 32.53 3kl9 n VAL 243 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3kl9 n TYR 244 N -2.22 0.54 -0.84 1.45 0.53 -0.02 -4.98 117.16 111.62 3kl9 n TYR 244 Ca 0.04 -1.15 0.00 0.00 -1.02 0.00 0.00 57.90 55.77 3kl9 n TYR 244 Cb 0.34 -0.29 0.00 0.00 -1.03 0.00 0.00 39.34 38.36 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 -1.03 0.25 0.75 2.72 0.00 -0.83 -4.99 105.19 102.06 3kl9 n GLY 245 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.13 0.80 3.94 -0.02 0.00 0.29 -4.97 105.19 104.10 3kl9 n GLY 246 Ca 0.00 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.89 3.46 0.00 1.61 -2.07 -1.26 -3.44 119.66 115.07 3kl9 s GLN 247 Ca 0.13 -0.52 0.00 0.00 -1.82 0.00 0.00 55.36 53.15 3kl9 s GLN 247 Cb -0.01 -2.93 0.00 0.00 -1.09 0.00 0.00 33.01 28.98 3kl9 s GLN 247 CO 0.08 0.48 0.00 0.41 -1.32 0.00 0.00 175.29 174.95 3kl9 n GLY 248 N -0.58 0.77 3.23 2.60 0.00 -1.26 -2.35 105.19 107.60 3kl9 n GLY 248 Ca -0.06 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 3kl9 n GLY 248 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kl9 s LYS 249 N -0.23 2.91 -0.04 1.61 2.20 -1.26 -1.33 119.74 123.60 3kl9 s LYS 249 Ca 0.00 -0.94 -0.38 0.00 -0.36 0.00 0.00 55.97 54.29 3kl9 s LYS 249 Cb 0.00 -3.06 -0.17 0.00 -1.51 0.00 0.00 37.83 33.09 3kl9 s LYS 249 CO 0.00 -0.40 1.45 -0.89 -0.36 0.00 0.00 175.35 175.16 3kl9 n ILE 250 N 4.71 0.09 -0.58 5.43 -0.00 -1.26 -1.55 119.36 126.20 3kl9 n ILE 250 Ca -0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 3kl9 n ILE 250 Cb 0.47 -0.89 0.00 0.00 -0.00 0.00 0.00 39.64 39.22 3kl9 n ILE 250 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3kl9 n GLY 251 N 3.01 0.77 1.64 7.39 0.00 -1.26 -4.93 105.19 111.81 3kl9 n GLY 251 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 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 5.14 0.00 1.61 9.92 -0.60 -4.95 116.55 127.67 3kl9 n ASP 252 Ca 0.00 -2.77 0.00 0.00 -0.53 0.00 0.00 54.79 51.49 3kl9 n ASP 252 Cb 0.00 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 39.86 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 0.63 -1.84 3.85 0.44 0.00 -1.26 -3.83 105.19 103.18 3kl9 n GLY 253 Ca 0.26 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 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 4.51 -0.11 2.61 -1.32 -0.51 -4.63 115.64 116.19 3kl9 s THR 254 Ca 0.00 0.91 -0.15 0.00 -1.21 0.00 0.00 61.69 61.24 3kl9 s THR 254 Cb 0.00 -3.73 -0.05 0.00 -1.51 0.00 0.00 72.50 67.21 3kl9 s THR 254 CO 0.00 -0.97 0.36 -0.76 -2.21 0.00 0.00 174.62 171.04 3kl9 s LEU 255 N -4.98 4.32 -0.69 9.08 1.43 -0.82 -0.61 118.68 126.41 3kl9 s LEU 255 Ca 0.57 0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 54.20 3kl9 s LEU 255 Cb -0.12 -2.50 0.15 0.00 0.03 0.00 0.00 46.19 43.76 3kl9 s LEU 255 CO 0.49 0.14 0.71 -0.63 0.23 0.00 0.00 176.35 177.29 3kl9 s ILE 256 N 0.06 5.18 -0.90 -0.59 -1.09 -0.31 -4.13 121.20 119.43 3kl9 s ILE 256 Ca 0.21 -1.69 -0.21 0.00 -2.23 0.00 0.00 60.65 56.73 3kl9 s ILE 256 Cb -0.14 -4.47 0.09 0.00 -1.58 0.00 0.00 42.46 36.36 3kl9 s ILE 256 CO 0.08 -1.06 1.19 -0.60 -1.23 0.00 0.00 174.94 173.32 3kl9 s ARG 257 N 1.54 3.49 0.43 2.79 3.52 -1.26 -2.09 118.95 127.38 3kl9 s ARG 257 Ca 0.13 -1.35 0.23 0.00 -0.13 0.00 0.00 55.73 54.62 3kl9 s ARG 257 Cb -0.19 -4.88 0.51 0.00 -1.56 0.00 0.00 34.95 28.82 3kl9 s ARG 257 CO -0.01 -1.92 1.66 0.27 -0.81 0.00 0.00 175.30 174.49 3kl9 h PHE 258 N 9.28 0.00 -2.42 5.12 -5.15 -1.95 -3.41 116.94 118.41 3kl9 h PHE 258 Ca 0.07 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.76 3kl9 h PHE 258 Cb 1.03 0.00 -0.23 0.00 0.22 0.00 0.00 35.95 36.97 3kl9 h PHE 258 CO 1.16 0.11 -0.10 -0.47 -2.00 0.00 0.00 178.31 177.01 3kl9 s TYR 259 N -3.28 -0.63 0.16 6.09 6.14 -1.26 -2.58 117.35 121.98 3kl9 s TYR 259 Ca 0.05 1.48 -0.04 0.00 0.64 0.00 0.00 57.07 59.20 3kl9 s TYR 259 Cb 0.07 0.25 -0.03 0.00 0.42 0.00 0.00 41.96 42.66 3kl9 s TYR 259 CO 0.66 -0.31 0.16 0.16 0.64 0.00 0.00 175.55 176.86 3kl9 s ASP 260 N 0.53 0.18 0.11 4.32 1.47 -0.73 0.18 116.67 122.73 3kl9 s ASP 260 Ca -0.02 -1.11 0.07 0.00 1.18 0.00 0.00 52.55 52.66 3kl9 s ASP 260 Cb -0.04 0.37 0.36 0.00 -0.34 0.00 0.00 42.92 43.26 3kl9 s ASP 260 CO -0.03 -0.82 1.15 -2.65 0.68 0.00 0.00 175.17 173.51 3kl9 n PRO 261 N -0.17 0.04 0.00 2.11 -0.02 -1.26 -1.86 135.00 133.84 3kl9 n PRO 261 Ca -0.05 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3kl9 n PRO 261 Cb 0.64 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3kl9 n PRO 261 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kl9 n GLY 262 N -1.39 0.06 3.48 -1.23 0.00 -1.26 -5.05 105.19 99.80 3kl9 n GLY 262 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.30 -0.69 -0.15 1.61 5.65 -0.78 -4.55 115.29 116.07 3kl9 s HIS 263 Ca 0.00 1.61 -0.02 0.00 0.25 0.00 0.00 55.06 56.90 3kl9 s HIS 263 Cb 0.00 0.28 -0.02 0.00 -1.18 0.00 0.00 32.58 31.66 3kl9 s HIS 263 CO 0.00 -0.34 -0.08 -0.51 -0.65 0.00 0.00 174.74 173.17 3kl9 s LEU 264 N 0.58 2.98 -0.32 8.88 1.43 -1.26 -1.77 118.68 129.19 3kl9 s LEU 264 Ca -0.02 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 3kl9 s LEU 264 Cb -0.05 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 3kl9 s LEU 264 CO -0.03 0.14 1.42 -0.22 0.23 0.00 0.00 176.35 177.88 3kl9 s LEU 265 N 0.53 3.78 0.61 1.79 2.96 -1.07 -4.90 118.68 122.38 3kl9 s LEU 265 Ca -0.05 1.18 -0.17 0.00 -0.22 0.00 0.00 54.13 54.87 3kl9 s LEU 265 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 3kl9 s LEU 265 CO 0.03 -1.25 1.11 -0.76 -1.32 0.00 0.00 176.35 174.16 3kl9 s LEU 266 N 4.95 3.52 0.23 -0.68 1.43 -1.26 -4.82 118.68 122.06 3kl9 s LEU 266 Ca 0.62 2.03 -0.07 0.00 -1.03 0.00 0.00 54.13 55.68 3kl9 s LEU 266 Cb -0.18 -4.56 0.28 0.00 0.03 0.00 0.00 46.19 41.77 3kl9 s LEU 266 CO 0.28 -1.43 1.86 -0.65 0.23 0.00 0.00 176.35 176.64 3kl9 h PRO 267 N 0.47 0.98 -0.46 1.29 0.11 -1.94 -0.32 132.00 132.14 3kl9 h PRO 267 Ca -0.48 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.58 3kl9 h PRO 267 Cb 1.25 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3kl9 h PRO 267 CO 0.55 0.65 0.29 0.78 -0.21 0.00 0.00 178.00 180.07 3kl9 h GLY 268 N 1.01 0.64 1.35 -0.55 0.00 -1.89 -1.71 103.07 101.93 3kl9 h GLY 268 Ca 0.35 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 3kl9 h GLY 268 CO -0.14 0.22 -0.54 1.98 0.00 0.00 0.00 176.54 178.06 3kl9 h MET 269 N 0.60 0.69 -0.01 4.80 1.85 -1.69 -2.86 114.93 118.29 3kl9 h MET 269 Ca 0.17 -0.43 0.00 0.00 -0.61 0.00 0.00 59.70 58.84 3kl9 h MET 269 Cb -0.05 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.02 3kl9 h MET 269 CO -0.05 1.05 -0.01 -0.22 -0.40 0.00 0.00 176.91 177.28 3kl9 h LYS 270 N 0.53 -0.01 -0.48 0.39 3.64 -0.86 -0.78 116.57 119.00 3kl9 h LYS 270 Ca 0.01 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3kl9 h LYS 270 Cb 1.10 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 3kl9 h LYS 270 CO 0.11 -0.01 0.13 -0.44 -2.27 0.00 0.00 179.45 176.98 3kl9 h ASP 271 N -0.01 0.09 -0.33 4.20 3.32 -1.31 -0.69 116.42 121.68 3kl9 h ASP 271 Ca 0.01 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.16 3kl9 h ASP 271 Cb 0.02 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3kl9 h ASP 271 CO -0.02 0.08 0.15 0.15 -1.72 0.00 0.00 179.24 177.88 3kl9 h PHE 272 N 0.29 0.27 -0.08 4.55 3.57 -1.28 0.18 116.94 124.44 3kl9 h PHE 272 Ca 0.24 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.76 3kl9 h PHE 272 Cb 0.28 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3kl9 h PHE 272 CO -0.19 0.14 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.95 3kl9 h LEU 273 N 0.31 -0.03 -0.38 0.59 3.38 -0.27 -0.04 115.31 118.88 3kl9 h LEU 273 Ca 0.14 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3kl9 h LEU 273 Cb 0.08 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3kl9 h LEU 273 CO -0.12 -0.00 -0.30 -0.07 0.09 0.00 0.00 178.44 178.04 3kl9 h LEU 274 N 0.03 0.92 -0.14 1.67 3.38 -0.90 0.17 115.31 120.44 3kl9 h LEU 274 Ca 0.03 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.60 3kl9 h LEU 274 Cb 0.04 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3kl9 h LEU 274 CO -0.06 1.17 -0.14 0.74 0.09 0.00 0.00 178.44 180.24 3kl9 h THR 275 N 0.68 0.61 -0.25 0.22 2.02 -0.61 -2.24 112.91 113.33 3kl9 h THR 275 Ca 0.07 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 3kl9 h THR 275 Cb 0.88 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3kl9 h THR 275 CO 0.08 0.00 -0.04 0.74 0.37 0.00 0.00 175.52 176.67 3kl9 h THR 276 N -0.17 1.27 -0.94 3.16 2.02 -0.67 -2.38 112.91 115.20 3kl9 h THR 276 Ca 0.10 -1.01 0.09 0.00 0.77 0.00 0.00 66.41 66.35 3kl9 h THR 276 Cb 0.31 1.42 -0.07 0.00 -1.74 0.00 0.00 68.15 68.08 3kl9 h THR 276 CO -0.24 0.32 0.61 0.00 0.37 0.00 0.00 175.52 176.57 3kl9 h ALA 277 N 0.78 1.54 0.15 6.16 0.00 -0.64 -0.96 119.26 126.30 3kl9 h ALA 277 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kl9 h ALA 277 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kl9 h ALA 277 CO 0.02 0.27 -0.07 1.49 0.00 0.00 0.00 179.25 180.96 3kl9 h GLU 278 N 1.00 -0.19 -0.94 0.00 4.57 -1.31 -0.33 114.58 117.38 3kl9 h GLU 278 Ca 0.43 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.74 3kl9 h GLU 278 Cb 0.34 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.90 3kl9 h GLU 278 CO -0.19 0.15 0.60 0.93 -1.18 0.00 0.00 179.01 179.32 3kl9 h GLU 279 N -0.56 0.88 -0.16 1.92 5.08 -1.09 -2.75 114.58 117.90 3kl9 h GLU 279 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3kl9 h GLU 279 Cb 0.43 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3kl9 h GLU 279 CO 0.03 0.58 0.00 0.00 -1.00 0.00 0.00 179.01 178.62 3kl9 n ALA 280 N -2.39 2.50 -3.41 3.43 0.00 -0.39 -4.95 120.51 115.30 3kl9 n ALA 280 Ca 0.17 -0.65 -0.20 0.00 0.00 0.00 0.00 53.44 52.76 3kl9 n ALA 280 Cb 0.36 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.87 3kl9 n ALA 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kl9 n GLY 281 N 1.27 -0.29 3.71 0.00 0.00 -0.96 -4.98 105.19 103.95 3kl9 n GLY 281 Ca 0.17 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.27 5.00 -0.21 -0.61 -1.09 -0.17 -5.04 121.20 115.82 3kl9 s ILE 282 Ca 0.48 1.55 -0.29 0.00 -2.23 0.00 0.00 60.65 60.15 3kl9 s ILE 282 Cb -0.21 -4.09 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 3kl9 s ILE 282 CO 0.60 0.21 1.03 -0.75 -1.23 0.00 0.00 174.94 174.80 3kl9 s LYS 283 N 1.03 4.29 0.08 2.79 2.20 -1.26 -4.81 119.74 124.05 3kl9 s LYS 283 Ca 0.39 1.36 -0.01 0.00 -0.36 0.00 0.00 55.97 57.35 3kl9 s LYS 283 Cb -0.18 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 3kl9 s LYS 283 CO 0.19 -0.56 -0.00 1.52 -0.36 0.00 0.00 175.35 176.13 3kl9 s TYR 284 N 2.96 0.63 -0.03 4.03 -0.85 -1.26 -1.43 117.35 121.40 3kl9 s TYR 284 Ca 0.45 -1.12 -0.02 0.00 -0.52 0.00 0.00 57.07 55.85 3kl9 s TYR 284 Cb -0.16 -0.42 0.02 0.00 0.38 0.00 0.00 41.96 41.78 3kl9 s TYR 284 CO 0.08 -0.42 0.07 1.14 -1.52 0.00 0.00 175.55 174.90 3kl9 s GLN 285 N -3.96 0.06 0.38 -3.49 -2.07 0.22 -4.86 119.66 105.94 3kl9 s GLN 285 Ca 0.12 0.15 -0.27 0.00 -1.82 0.00 0.00 55.36 53.55 3kl9 s GLN 285 Cb 0.08 -0.05 -0.09 0.00 -1.09 0.00 0.00 33.01 31.86 3kl9 s GLN 285 CO -0.06 -0.06 1.27 0.71 -1.32 0.00 0.00 175.29 175.83 3kl9 s TYR 286 N 0.41 2.94 -0.12 9.60 1.51 -1.26 -1.16 117.35 129.26 3kl9 s TYR 286 Ca -0.03 1.45 -0.04 0.00 -1.01 0.00 0.00 57.07 57.44 3kl9 s TYR 286 Cb -0.04 -3.61 0.06 0.00 -0.11 0.00 0.00 41.96 38.25 3kl9 s TYR 286 CO -0.01 -1.85 0.16 -0.47 -1.11 0.00 0.00 175.55 172.27 3kl9 s TYR 287 N -1.26 -0.16 -0.52 2.71 5.04 -0.89 -4.79 117.35 117.49 3kl9 s TYR 287 Ca 0.55 0.43 -0.22 0.00 -2.44 0.00 0.00 57.07 55.39 3kl9 s TYR 287 Cb -0.37 -0.33 0.04 0.00 0.35 0.00 0.00 41.96 41.66 3kl9 s TYR 287 CO 0.48 -0.37 0.78 0.00 -1.34 0.00 0.00 175.55 175.10 3kl9 s GLY 289 N 2.65 2.64 -0.00 0.00 0.00 0.13 -4.97 107.32 107.76 3kl9 s GLY 289 Ca 0.24 0.81 0.04 0.00 0.00 0.00 0.00 44.72 45.81 3kl9 s GLY 289 CO 0.17 1.17 0.16 0.28 0.00 0.00 0.00 173.10 174.88 3kl9 n LYS 290 N -1.16 4.70 -4.57 2.90 5.02 -1.26 -4.34 118.16 119.45 3kl9 n LYS 290 Ca 0.11 -0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.13 3kl9 n LYS 290 Cb 0.51 -0.76 -0.10 0.00 -0.02 0.00 0.00 35.03 34.66 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 -1.58 2.44 0.36 0.72 0.00 -1.26 -4.74 107.32 103.26 3kl9 s GLY 291 Ca 0.01 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 42.90 3kl9 s GLY 291 CO 0.17 -1.98 0.63 -0.32 0.00 0.00 0.00 173.10 171.60 3kl9 s GLY 292 N -3.64 1.68 0.49 0.20 0.00 -1.26 -4.50 107.32 100.28 3kl9 s GLY 292 Ca 0.30 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.45 3kl9 s GLY 292 CO 0.14 -0.47 0.02 -0.51 0.00 0.00 0.00 173.10 172.29 3kl9 s THR 293 N -2.31 1.13 0.53 0.90 -4.23 -1.26 -5.03 115.64 105.38 3kl9 s THR 293 Ca 0.45 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.22 3kl9 s THR 293 Cb -0.10 -2.25 0.40 0.00 1.34 0.00 0.00 72.50 71.89 3kl9 s THR 293 CO 0.35 0.00 1.99 0.44 -0.54 0.00 0.00 174.62 176.85 3kl9 h ASP 294 N 1.45 0.00 0.05 3.99 3.32 -1.95 -1.97 116.42 121.31 3kl9 h ASP 294 Ca -0.43 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 3kl9 h ASP 294 Cb 1.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 3kl9 h ASP 294 CO 0.72 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 178.20 3kl9 h ALA 295 N 1.71 1.86 -0.75 3.45 0.00 -1.96 -1.94 119.26 121.63 3kl9 h ALA 295 Ca 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kl9 h ALA 295 Cb 1.07 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3kl9 h ALA 295 CO -0.00 0.05 0.46 0.78 0.00 0.00 0.00 179.25 180.54 3kl9 h GLY 296 N 0.13 1.07 1.04 0.00 0.00 -1.59 -1.81 103.07 101.90 3kl9 h GLY 296 Ca -0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 47.33 46.57 3kl9 h GLY 296 CO 0.01 0.41 -1.67 0.00 0.00 0.00 0.00 176.54 175.28 3kl9 h ALA 297 N 1.49 0.23 -0.29 3.60 0.00 -1.61 -3.40 119.26 119.28 3kl9 h ALA 297 Ca 0.27 -1.15 -0.14 0.00 0.00 0.00 0.00 54.91 53.89 3kl9 h ALA 297 Cb -0.07 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kl9 h ALA 297 CO -0.05 1.10 -0.38 0.00 0.00 0.00 0.00 179.25 179.92 3kl9 h ALA 298 N 0.29 0.79 0.00 0.00 0.00 -1.16 -3.10 119.26 116.09 3kl9 h ALA 298 Ca -0.31 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3kl9 h ALA 298 Cb 2.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3kl9 h ALA 298 CO 0.17 0.65 0.00 1.12 0.00 0.00 0.00 179.25 181.19 3kl9 h HIS 299 N 0.56 0.00 -0.02 0.00 2.07 -1.51 -2.43 115.15 113.82 3kl9 h HIS 299 Ca 0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.57 3kl9 h HIS 299 Cb 0.90 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.88 3kl9 h HIS 299 CO 0.04 0.00 -0.07 1.28 -3.07 0.00 0.00 177.93 176.11 3kl9 n LEU 300 N -2.70 1.90 -4.92 6.12 4.77 -1.17 -2.02 117.00 118.98 3kl9 n LEU 300 Ca 0.01 -0.63 -0.26 0.00 -0.03 0.00 0.00 56.01 55.10 3kl9 n LEU 300 Cb 0.25 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3kl9 n LEU 300 CO 0.23 0.32 0.44 -0.54 -1.33 0.00 0.00 177.39 176.52 3kl9 s LYS 301 N -2.11 3.13 1.42 3.23 -0.14 -0.91 -4.71 119.74 119.65 3kl9 s LYS 301 Ca 0.32 -0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.86 3kl9 s LYS 301 Cb 0.20 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.98 3kl9 s LYS 301 CO 0.37 -0.45 0.00 0.09 -0.76 0.00 0.00 175.35 174.60 3kl9 n ASN 302 N -2.36 0.00 -0.40 2.83 5.03 -1.26 -1.48 115.26 117.61 3kl9 n ASN 302 Ca 0.02 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.53 3kl9 n ASN 302 Cb 0.57 0.00 0.19 0.00 -1.02 0.00 0.00 39.78 39.51 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 0.00 0.00 7.41 0.00 -1.26 -4.97 105.19 106.37 3kl9 n GLY 303 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.90 2.60 2.65 -0.02 0.00 -0.55 -5.10 105.19 105.67 3kl9 n GLY 304 Ca 0.10 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.74 -0.19 0.21 1.61 1.01 -0.86 -4.94 120.40 116.49 3kl9 s VAL 305 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 3kl9 s VAL 305 Cb 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 36.38 35.30 3kl9 s VAL 305 CO 0.00 -0.68 0.93 -2.65 0.00 0.00 0.00 175.10 172.70 3kl9 n PRO 306 N 4.66 0.84 -3.90 2.72 -0.02 -1.25 -4.27 135.00 133.78 3kl9 n PRO 306 Ca 0.05 0.30 -0.09 0.00 -2.02 0.00 0.00 63.50 61.73 3kl9 n PRO 306 Cb 0.43 -1.62 -0.08 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.46 0.15 0.00 2.55 0.01 -1.26 -1.43 113.70 113.25 3kl9 s SER 307 Ca 0.67 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.36 3kl9 s SER 307 Cb -0.85 0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.66 3kl9 s SER 307 CO 0.56 -0.61 0.00 0.35 0.41 0.00 0.00 173.24 173.96 3kl9 n THR 308 N 0.40 0.00 -3.67 1.44 -2.24 -1.09 -4.67 114.28 104.44 3kl9 n THR 308 Ca -0.17 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.33 3kl9 n THR 308 Cb 0.60 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.75 0.30 -0.37 4.28 2.01 -1.25 -0.32 115.64 118.54 3kl9 s THR 309 Ca 0.00 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 3kl9 s THR 309 Cb 0.00 -0.96 -0.00 0.00 0.01 0.00 0.00 72.50 71.55 3kl9 s THR 309 CO 0.00 -0.35 1.61 -0.63 -0.69 0.00 0.00 174.62 174.56 3kl9 s ILE 310 N 1.95 3.68 0.39 1.82 -1.09 0.31 -4.67 121.20 123.60 3kl9 s ILE 310 Ca 0.02 0.69 0.04 0.00 -2.23 0.00 0.00 60.65 59.18 3kl9 s ILE 310 Cb -0.17 -3.92 -0.06 0.00 -1.58 0.00 0.00 42.46 36.74 3kl9 s ILE 310 CO -0.14 -0.58 0.05 -0.83 -1.23 0.00 0.00 174.94 172.20 3kl9 s GLY 311 N 5.03 2.42 -0.07 6.18 0.00 -1.26 -3.29 107.32 116.33 3kl9 s GLY 311 Ca 0.71 -1.78 -0.12 0.00 0.00 0.00 0.00 44.72 43.53 3kl9 s GLY 311 CO 0.33 -1.96 0.29 0.14 0.00 0.00 0.00 173.10 171.91 3kl9 s VAL 312 N -3.05 0.03 0.15 1.40 1.01 -1.24 -1.94 120.40 116.76 3kl9 s VAL 312 Ca 0.30 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3kl9 s VAL 312 Cb 0.07 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 3kl9 s VAL 312 CO 0.14 -0.13 0.29 0.00 0.00 0.00 0.00 175.10 175.41 3kl9 s ALA 314 N -1.75 -0.76 0.02 0.00 0.00 0.03 -4.73 121.76 114.58 3kl9 s ALA 314 Ca 0.35 0.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 3kl9 s ALA 314 Cb -0.11 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 3kl9 s ALA 314 CO 0.29 -0.25 0.67 1.03 0.00 0.00 0.00 175.76 177.49 3kl9 s ARG 315 N -1.26 4.40 -1.00 0.00 0.52 0.46 0.75 118.95 122.82 3kl9 s ARG 315 Ca -0.13 0.88 -0.01 0.00 -0.52 0.00 0.00 55.73 55.95 3kl9 s ARG 315 Cb -0.05 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 3kl9 s ARG 315 CO 0.04 0.34 0.84 0.66 0.02 0.00 0.00 175.30 177.20 3kl9 n TYR 316 N 2.71 -1.92 -1.21 -0.53 4.01 -1.26 -1.23 117.16 117.73 3kl9 n TYR 316 Ca -0.05 0.79 -0.35 0.00 -0.16 0.00 0.00 57.90 58.13 3kl9 n TYR 316 Cb 0.51 -4.49 0.10 0.00 -0.31 0.00 0.00 39.34 35.15 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 -3.53 2.26 -3.53 -0.72 -0.00 -1.26 -3.76 119.36 108.82 3kl9 n ILE 317 Ca -0.21 -0.30 -0.22 0.00 -0.00 0.00 0.00 62.75 62.03 3kl9 n ILE 317 Cb 0.64 -1.09 0.08 0.00 -0.00 0.00 0.00 39.64 39.27 3kl9 n ILE 317 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 3kl9 n HIS 318 N -2.88 -2.64 -4.05 1.39 8.25 -1.26 -4.99 115.22 109.03 3kl9 n HIS 318 Ca 0.13 0.98 -0.13 0.00 -0.26 0.00 0.00 57.72 58.44 3kl9 n HIS 318 Cb 0.50 -5.03 -0.03 0.00 1.12 0.00 0.00 29.99 26.55 3kl9 n HIS 318 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kl9 s SER 319 N -3.65 0.71 0.20 0.41 1.04 -1.25 -4.71 113.70 106.46 3kl9 s SER 319 Ca 0.39 -1.40 0.26 0.00 0.48 0.00 0.00 55.95 55.69 3kl9 s SER 319 Cb -0.17 0.68 0.87 0.00 0.10 0.00 0.00 66.02 67.49 3kl9 s SER 319 CO 0.72 -1.33 1.77 1.41 0.98 0.00 0.00 173.24 176.79 3kl9 n HIS 320 N -0.54 0.84 -3.59 5.02 8.25 -1.26 -4.39 115.22 119.54 3kl9 n HIS 320 Ca -0.00 0.26 -0.28 0.00 -0.26 0.00 0.00 57.72 57.44 3kl9 n HIS 320 Cb 0.61 -0.93 -0.11 0.00 1.12 0.00 0.00 29.99 30.69 3kl9 n HIS 320 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kl9 s GLN 321 N -3.14 1.38 -0.02 -0.41 -1.52 -1.26 -3.60 119.66 111.10 3kl9 s GLN 321 Ca 0.09 -2.38 -0.16 0.00 -1.95 0.00 0.00 55.36 50.96 3kl9 s GLN 321 Cb 0.12 -2.13 -0.05 0.00 -0.22 0.00 0.00 33.01 30.73 3kl9 s GLN 321 CO 0.55 -1.31 0.42 0.99 -0.25 0.00 0.00 175.29 175.69 3kl9 s THR 322 N -0.24 5.05 -0.08 -0.19 2.01 0.85 -4.67 115.64 118.37 3kl9 s THR 322 Ca 0.27 0.87 0.04 0.00 0.31 0.00 0.00 61.69 63.17 3kl9 s THR 322 Cb -0.05 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 3kl9 s THR 322 CO -0.14 0.53 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.91 3kl9 s LEU 323 N -0.71 2.43 0.17 4.42 0.20 -0.37 -1.56 118.68 123.26 3kl9 s LEU 323 Ca 0.24 -0.38 -0.20 0.00 0.69 0.00 0.00 54.13 54.49 3kl9 s LEU 323 Cb -0.16 -1.49 0.05 0.00 -0.43 0.00 0.00 46.19 44.15 3kl9 s LEU 323 CO 0.13 0.25 0.54 -0.72 -0.29 0.00 0.00 176.35 176.25 3kl9 s TYR 324 N -0.17 -0.32 -0.17 5.38 -0.85 -0.87 -0.40 117.35 119.96 3kl9 s TYR 324 Ca -0.02 0.03 -0.09 0.00 -0.52 0.00 0.00 57.07 56.48 3kl9 s TYR 324 Cb -0.14 0.45 -0.05 0.00 0.38 0.00 0.00 41.96 42.61 3kl9 s TYR 324 CO 0.04 -0.86 0.12 0.00 -1.52 0.00 0.00 175.55 173.33 3kl9 s ALA 325 N -3.81 3.70 0.31 9.51 0.00 -1.26 -0.49 121.76 129.72 3kl9 s ALA 325 Ca 0.04 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3kl9 s ALA 325 Cb -0.01 -2.06 0.50 0.00 0.00 0.00 0.00 23.12 21.55 3kl9 s ALA 325 CO -0.09 0.31 1.83 0.52 0.00 0.00 0.00 175.76 178.33 3kl9 h MET 326 N 6.14 0.62 -0.88 0.00 2.86 -1.81 -2.47 114.93 119.39 3kl9 h MET 326 Ca -0.45 -0.15 0.17 0.00 -2.06 0.00 0.00 59.70 57.22 3kl9 h MET 326 Cb 1.18 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.65 3kl9 h MET 326 CO 0.69 0.65 0.45 0.22 1.06 0.00 0.00 176.91 179.98 3kl9 h ASP 327 N 0.59 0.50 -0.05 1.22 3.58 -1.94 -1.64 116.42 118.68 3kl9 h ASP 327 Ca 0.12 0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.58 3kl9 h ASP 327 Cb 0.38 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 3kl9 h ASP 327 CO 0.01 0.16 -0.29 0.44 -2.88 0.00 0.00 179.24 176.68 3kl9 h ASP 328 N 0.57 0.51 -0.30 2.28 3.32 -1.81 -1.88 116.42 119.11 3kl9 h ASP 328 Ca 0.51 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 3kl9 h ASP 328 Cb 0.81 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3kl9 h ASP 328 CO -0.42 0.78 0.10 0.15 -1.72 0.00 0.00 179.24 178.14 3kl9 h PHE 329 N 0.43 0.48 -0.69 4.55 3.57 -1.31 -1.73 116.94 122.25 3kl9 h PHE 329 Ca 0.06 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.60 3kl9 h PHE 329 Cb 0.73 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 3kl9 h PHE 329 CO 0.02 0.49 0.34 -0.07 -2.23 0.00 0.00 178.31 176.86 3kl9 h LEU 330 N 0.33 0.45 -0.24 0.59 3.38 -0.97 -0.59 115.31 118.25 3kl9 h LEU 330 Ca 0.10 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3kl9 h LEU 330 Cb 0.23 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kl9 h LEU 330 CO -0.00 0.26 -0.05 -0.33 0.09 0.00 0.00 178.44 178.40 3kl9 h GLU 331 N 0.59 0.46 -0.14 1.13 4.39 -1.21 -1.88 114.58 117.93 3kl9 h GLU 331 Ca 0.34 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 3kl9 h GLU 331 Cb 0.34 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3kl9 h GLU 331 CO -0.26 0.69 -0.35 0.00 -1.16 0.00 0.00 179.01 177.93 3kl9 h ALA 332 N 0.76 1.16 -0.07 3.43 0.00 -1.04 -1.67 119.26 121.83 3kl9 h ALA 332 Ca 0.06 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 3kl9 h ALA 332 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kl9 h ALA 332 CO 0.02 0.55 -0.28 0.37 0.00 0.00 0.00 179.25 179.91 3kl9 h GLN 333 N 0.24 0.32 -0.52 0.00 5.75 -1.09 -1.33 115.11 118.48 3kl9 h GLN 333 Ca 0.03 -0.25 0.09 0.00 -0.15 0.00 0.00 58.65 58.37 3kl9 h GLN 333 Cb 0.73 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.30 3kl9 h GLN 333 CO 0.06 0.88 0.35 0.00 -2.65 0.00 0.00 178.83 177.47 3kl9 h ALA 334 N 0.44 2.04 -0.13 3.38 0.00 -1.28 -1.31 119.26 122.41 3kl9 h ALA 334 Ca -0.01 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 3kl9 h ALA 334 Cb 0.92 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3kl9 h ALA 334 CO 0.06 -0.16 -0.82 0.35 0.00 0.00 0.00 179.25 178.68 3kl9 h PHE 335 N 0.34 1.07 0.13 0.00 -0.00 -1.17 -2.68 116.94 114.64 3kl9 h PHE 335 Ca 0.24 -0.49 -0.01 0.00 -0.00 0.00 0.00 57.97 57.71 3kl9 h PHE 335 Cb 0.49 -0.16 0.00 0.00 -0.00 0.00 0.00 35.95 36.28 3kl9 h PHE 335 CO -0.00 1.33 -0.06 1.25 -0.00 0.00 0.00 178.31 180.82 3kl9 h LEU 336 N 0.51 -0.15 -0.28 0.59 6.46 -0.59 -0.37 115.31 121.49 3kl9 h LEU 336 Ca -0.07 -0.21 0.06 0.00 -0.12 0.00 0.00 57.88 57.54 3kl9 h LEU 336 Cb 1.45 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 41.35 3kl9 h LEU 336 CO 0.17 0.14 -0.31 1.56 -0.62 0.00 0.00 178.44 179.37 3kl9 h GLN 337 N -0.44 -0.30 -0.89 1.25 4.20 -1.35 -0.57 115.11 117.00 3kl9 h GLN 337 Ca -0.02 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.79 3kl9 h GLN 337 Cb 0.35 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.13 3kl9 h GLN 337 CO 0.03 -0.20 0.55 0.00 -0.67 0.00 0.00 178.83 178.54 3kl9 h ALA 338 N 0.63 1.26 0.02 3.87 0.00 -1.39 -0.84 119.26 122.79 3kl9 h ALA 338 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kl9 h ALA 338 Cb 0.53 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kl9 h ALA 338 CO -0.45 0.27 -0.01 -0.07 0.00 0.00 0.00 179.25 178.99 3kl9 h LEU 339 N 0.98 -0.02 -0.62 0.00 3.38 0.02 -2.54 115.31 116.50 3kl9 h LEU 339 Ca 0.40 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 3kl9 h LEU 339 Cb 0.24 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kl9 h LEU 339 CO -0.20 0.26 -0.61 -0.37 0.09 0.00 0.00 178.44 177.61 3kl9 h VAL 340 N -0.30 1.39 0.00 1.22 -1.51 -1.02 -1.98 116.25 114.04 3kl9 h VAL 340 Ca -0.00 -1.99 -0.02 0.00 -1.23 0.00 0.00 66.70 63.45 3kl9 h VAL 340 Cb 0.29 2.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.45 3kl9 h VAL 340 CO 0.00 0.59 -0.08 0.11 -1.23 0.00 0.00 177.57 176.96 3kl9 h LYS 341 N 0.19 0.00 0.00 5.19 1.57 -1.15 -3.03 116.57 119.35 3kl9 h LYS 341 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kl9 h LYS 341 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3kl9 h LYS 341 CO 0.10 0.08 -1.01 1.17 -0.57 0.00 0.00 179.45 179.22 3kl9 n LYS 342 N -3.71 0.64 -2.34 3.15 4.81 -0.96 -4.73 118.16 115.02 3kl9 n LYS 342 Ca -0.02 -0.02 -0.43 0.00 -0.87 0.00 0.00 58.31 56.97 3kl9 n LYS 342 Cb 0.19 -1.41 -0.02 0.00 0.02 0.00 0.00 35.03 33.80 3kl9 n LYS 342 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3kl9 s LEU 343 N -3.05 3.79 0.00 3.14 1.43 -0.78 -4.75 118.68 118.46 3kl9 s LEU 343 Ca 0.06 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.34 3kl9 s LEU 343 Cb 0.14 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 3kl9 s LEU 343 CO 0.79 -1.22 0.13 -0.90 0.23 0.00 0.00 176.35 175.38 3kl9 n ASP 344 N 8.15 -0.34 -0.16 2.29 3.85 -1.26 -3.52 116.55 125.55 3kl9 n ASP 344 Ca 0.16 -1.73 -0.03 0.00 -0.71 0.00 0.00 54.79 52.48 3kl9 n ASP 344 Cb 0.47 0.71 0.03 0.00 -1.35 0.00 0.00 41.12 40.98 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 -0.03 -0.06 0.11 9.65 -1.86 -1.06 114.38 121.13 3kl9 h ARG 345 Ca -0.09 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.62 3kl9 h ARG 345 Cb 0.42 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 3kl9 h ARG 345 CO 0.12 -0.02 -0.70 0.66 2.80 0.00 0.00 179.97 182.83 3kl9 h SER 346 N -0.03 0.37 0.43 -3.80 4.64 -1.96 -2.27 113.55 110.93 3kl9 h SER 346 Ca 0.24 -0.24 -0.22 0.00 -0.47 0.00 0.00 61.79 61.11 3kl9 h SER 346 Cb 0.40 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3kl9 h SER 346 CO -0.54 0.95 -0.93 0.71 -0.87 0.00 0.00 176.83 176.16 3kl9 h THR 347 N 0.21 1.44 0.00 2.95 1.35 -1.75 0.00 112.91 117.11 3kl9 h THR 347 Ca -0.02 -2.52 -0.14 0.00 -0.55 0.00 0.00 66.41 63.18 3kl9 h THR 347 Cb 1.26 2.45 -0.02 0.00 -1.73 0.00 0.00 68.15 70.11 3kl9 h THR 347 CO 0.11 0.75 -0.65 -0.37 -0.25 0.00 0.00 175.52 175.11 3kl9 h VAL 348 N 0.18 1.43 -0.32 6.82 -1.51 -1.26 -2.03 116.25 119.57 3kl9 h VAL 348 Ca -0.07 -2.25 -0.13 0.00 -1.23 0.00 0.00 66.70 63.02 3kl9 h VAL 348 Cb 1.56 2.23 -0.01 0.00 -2.13 0.00 0.00 31.29 32.94 3kl9 h VAL 348 CO 0.15 0.64 -0.33 0.44 -1.23 0.00 0.00 177.57 177.24 3kl9 h ASP 349 N 0.00 0.72 0.15 4.19 5.19 -1.32 -1.47 116.42 123.89 3kl9 h ASP 349 Ca -0.01 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.10 3kl9 h ASP 349 Cb 1.17 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.49 3kl9 h ASP 349 CO 0.08 0.99 -0.07 0.25 -3.12 0.00 0.00 179.24 177.37 3kl9 h LEU 350 N 0.59 -0.17 -0.85 1.55 6.46 -0.85 -1.78 115.31 120.25 3kl9 h LEU 350 Ca 0.06 -0.10 0.17 0.00 -0.12 0.00 0.00 57.88 57.90 3kl9 h LEU 350 Cb 0.84 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 40.71 3kl9 h LEU 350 CO 0.07 -0.01 0.40 0.40 -0.62 0.00 0.00 178.44 178.68 3kl9 h ILE 351 N -0.33 0.62 -0.64 4.05 2.04 -1.35 -2.00 117.51 119.90 3kl9 h ILE 351 Ca -0.02 -0.18 -0.26 0.00 1.00 0.00 0.00 64.86 65.40 3kl9 h ILE 351 Cb 0.26 0.07 -0.16 0.00 -0.74 0.00 0.00 36.82 36.25 3kl9 h ILE 351 CO 0.03 0.09 0.33 0.29 0.00 0.00 0.00 178.15 178.90 3kl9 n LYS 352 N -4.96 2.60 -2.48 2.37 5.02 -0.56 -4.26 118.16 115.89 3kl9 n LYS 352 Ca 0.18 -2.29 -0.42 0.00 -2.02 0.00 0.00 58.31 53.77 3kl9 n LYS 352 Cb 0.51 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 3kl9 n LYS 352 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3kl9 s HIS 353 N -2.42 2.41 -0.17 2.13 2.46 -0.70 -4.97 115.29 114.03 3kl9 s HIS 353 Ca 0.42 0.40 0.01 0.00 0.47 0.00 0.00 55.06 56.37 3kl9 s HIS 353 Cb 0.34 -4.46 0.01 0.00 -0.13 0.00 0.00 32.58 28.34 3kl9 s HIS 353 CO 0.09 -1.84 0.54 0.66 -2.47 0.00 0.00 174.74 171.73