#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kd9 s LEU 3 N 0.00 3.69 -0.03 1.04 1.98 -1.26 -4.80 118.68 119.30 3kd9 s LEU 3 Ca 0.00 0.02 0.02 0.00 -2.89 0.00 0.00 54.13 51.28 3kd9 s LEU 3 Cb 0.00 -1.93 0.01 0.00 0.66 0.00 0.00 46.19 44.93 3kd9 s LEU 3 CO 0.00 0.16 -0.08 -0.54 -1.89 0.00 0.00 176.35 174.00 3kd9 s LYS 4 N 0.46 0.98 -0.47 1.98 -0.14 -1.26 -5.06 119.74 116.23 3kd9 s LYS 4 Ca 0.02 -0.26 -0.11 0.00 -1.36 0.00 0.00 55.97 54.26 3kd9 s LYS 4 Cb -0.13 -0.91 0.10 0.00 -1.68 0.00 0.00 37.83 35.21 3kd9 s LYS 4 CO 0.01 0.06 0.35 0.15 -0.76 0.00 0.00 175.35 175.16 3kd9 s LYS 5 N 0.40 2.64 -0.03 1.68 1.02 -1.26 -2.47 119.74 121.72 3kd9 s LYS 5 Ca -0.06 -1.62 -0.22 0.00 0.02 0.00 0.00 55.97 54.09 3kd9 s LYS 5 Cb -0.10 -3.96 -0.05 0.00 -0.52 0.00 0.00 37.83 33.20 3kd9 s LYS 5 CO 0.01 -1.12 0.66 0.08 -0.92 0.00 0.00 175.35 174.06 3kd9 s VAL 6 N 1.45 4.95 -0.06 3.17 1.01 -0.67 0.17 120.40 130.41 3kd9 s VAL 6 Ca 0.04 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.42 3kd9 s VAL 6 Cb -0.26 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.14 3kd9 s VAL 6 CO 0.01 0.33 -0.12 -0.69 0.00 0.00 0.00 175.10 174.64 3kd9 s VAL 7 N 0.31 1.09 -0.20 2.92 1.01 -0.36 -1.83 120.40 123.34 3kd9 s VAL 7 Ca 0.35 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3kd9 s VAL 7 Cb -0.18 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3kd9 s VAL 7 CO 0.18 0.35 -0.17 -0.63 0.00 0.00 0.00 175.10 174.83 3kd9 s ILE 8 N 0.69 2.24 -0.69 2.22 1.01 -0.35 -1.16 121.20 125.16 3kd9 s ILE 8 Ca -0.14 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.33 3kd9 s ILE 8 Cb -0.16 -2.01 0.12 0.00 0.01 0.00 0.00 42.46 40.42 3kd9 s ILE 8 CO 0.03 0.44 0.84 -0.63 0.00 0.00 0.00 174.94 175.62 3kd9 s ILE 9 N 1.29 4.80 0.00 2.92 1.01 -0.14 -0.40 121.20 130.68 3kd9 s ILE 9 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.53 3kd9 s ILE 9 Cb -0.14 -4.58 0.00 0.00 0.01 0.00 0.00 42.46 37.75 3kd9 s ILE 9 CO -0.11 -1.25 0.00 0.61 0.00 0.00 0.00 174.94 174.19 3kd9 n GLY 10 N 5.20 -1.88 0.00 6.18 0.00 -1.20 -0.33 105.19 113.15 3kd9 n GLY 10 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 3kd9 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd9 n GLY 11 N 0.00 3.11 0.00 -0.02 0.00 -1.26 -4.27 105.19 102.74 3kd9 n GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kd9 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd9 n GLY 12 N -0.99 -1.81 0.29 -0.02 0.00 -1.26 -2.34 105.19 99.05 3kd9 n GLY 12 Ca 0.00 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 3kd9 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd9 h ALA 13 N -2.00 -0.62 -0.82 4.61 0.00 -1.93 -0.55 119.26 117.95 3kd9 h ALA 13 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kd9 h ALA 13 Cb 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3kd9 h ALA 13 CO 0.00 -0.86 0.52 0.00 0.00 0.00 0.00 179.25 178.91 3kd9 h ALA 14 N -0.06 1.09 0.29 0.00 0.00 -1.89 -2.19 119.26 116.50 3kd9 h ALA 14 Ca -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kd9 h ALA 14 Cb 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kd9 h ALA 14 CO 0.05 0.33 -0.15 0.78 0.00 0.00 0.00 179.25 180.26 3kd9 h GLY 15 N 1.00 -0.43 1.21 0.00 0.00 -1.69 -2.62 103.07 100.55 3kd9 h GLY 15 Ca 0.33 0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.77 3kd9 h GLY 15 CO -0.12 -0.16 0.17 -0.33 0.00 0.00 0.00 176.54 176.09 3kd9 h MET 16 N -0.41 0.98 -0.20 4.80 2.86 -1.01 -2.16 114.93 119.80 3kd9 h MET 16 Ca -0.04 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.41 3kd9 h MET 16 Cb 0.33 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3kd9 h MET 16 CO 0.05 0.86 0.06 0.77 1.06 0.00 0.00 176.91 179.71 3kd9 h SER 17 N 0.94 0.05 0.07 1.22 0.02 -1.37 0.25 113.55 114.73 3kd9 h SER 17 Ca 0.20 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 3kd9 h SER 17 Cb 0.31 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3kd9 h SER 17 CO -0.00 0.06 -0.27 0.00 -1.14 0.00 0.00 176.83 175.48 3kd9 h ALA 18 N 1.13 -0.41 0.35 3.77 0.00 -1.16 0.10 119.26 123.05 3kd9 h ALA 18 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kd9 h ALA 18 Cb 0.06 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kd9 h ALA 18 CO -0.10 -0.79 -0.28 0.00 0.00 0.00 0.00 179.25 178.08 3kd9 h ALA 19 N 0.32 -0.64 -0.71 0.00 0.00 -1.17 -0.55 119.26 116.51 3kd9 h ALA 19 Ca 0.04 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.05 3kd9 h ALA 19 Cb 0.50 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3kd9 h ALA 19 CO -0.19 -0.89 0.51 1.03 0.00 0.00 0.00 179.25 179.72 3kd9 h SER 20 N -0.64 0.02 0.08 0.00 0.87 -0.22 0.15 113.55 113.81 3kd9 h SER 20 Ca -0.03 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.37 3kd9 h SER 20 Cb 0.56 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3kd9 h SER 20 CO -0.01 0.01 -0.80 -0.09 -0.53 0.00 0.00 176.83 175.40 3kd9 h ARG 21 N 0.02 0.18 -0.90 2.24 9.65 -0.00 -2.58 114.38 122.98 3kd9 h ARG 21 Ca 0.34 -0.30 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3kd9 h ARG 21 Cb 1.32 0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.97 3kd9 h ARG 21 CO -0.01 1.14 0.50 -0.24 2.80 0.00 0.00 179.97 184.16 3kd9 h VAL 22 N -0.59 1.26 -0.19 0.20 3.04 -0.77 -1.87 116.25 117.33 3kd9 h VAL 22 Ca -0.17 -0.63 -0.02 0.00 -1.01 0.00 0.00 66.70 64.87 3kd9 h VAL 22 Cb 1.47 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 3kd9 h VAL 22 CO 0.05 0.29 0.03 0.50 -1.01 0.00 0.00 177.57 177.42 3kd9 h LYS 23 N 1.26 0.32 -0.24 4.17 1.63 -1.09 0.16 116.57 122.78 3kd9 h LYS 23 Ca 0.32 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 3kd9 h LYS 23 Cb 0.01 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 3kd9 h LYS 23 CO -0.05 0.48 0.11 -0.09 -3.45 0.00 0.00 179.45 176.45 3kd9 h ARG 24 N 0.11 0.34 -0.50 1.90 2.43 -1.25 -2.18 114.38 115.22 3kd9 h ARG 24 Ca 0.06 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 3kd9 h ARG 24 Cb 0.32 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3kd9 h ARG 24 CO 0.00 0.35 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.63 3kd9 h LEU 25 N 0.25 0.94 -6.67 3.80 3.38 -1.31 -3.36 115.31 112.34 3kd9 h LEU 25 Ca 0.08 -0.30 -0.60 0.00 0.09 0.00 0.00 57.88 57.14 3kd9 h LEU 25 Cb 0.12 -0.26 -0.41 0.00 0.09 0.00 0.00 40.66 40.21 3kd9 h LEU 25 CO -0.01 1.06 -0.73 0.29 0.09 0.00 0.00 178.44 179.14 3kd9 n LYS 26 N -4.15 1.38 -0.32 1.13 4.76 0.54 -4.97 118.16 116.54 3kd9 n LYS 26 Ca 0.01 -4.05 0.16 0.00 -2.87 0.00 0.00 58.31 51.57 3kd9 n LYS 26 Cb 0.39 -2.03 0.36 0.00 -1.84 0.00 0.00 35.03 31.91 3kd9 n LYS 26 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3kd9 h PRO 27 N 5.18 0.41 0.00 1.97 0.11 -1.55 -1.69 132.00 136.43 3kd9 h PRO 27 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3kd9 h PRO 27 Cb 0.79 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3kd9 h PRO 27 CO 0.62 0.27 0.00 -1.91 -0.21 0.00 0.00 178.00 176.77 3kd9 n GLU 28 N -5.02 0.05 -1.83 1.05 2.13 -1.26 -4.84 120.64 110.93 3kd9 n GLU 28 Ca 0.25 0.24 -0.31 0.00 0.66 0.00 0.00 57.16 58.00 3kd9 n GLU 28 Cb 0.74 -1.59 0.02 0.00 0.27 0.00 0.00 31.44 30.87 3kd9 n GLU 28 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3kd9 s TRP 29 N -3.07 3.51 -0.51 4.31 0.52 -0.64 -4.83 118.94 118.23 3kd9 s TRP 29 Ca 0.08 1.33 -0.15 0.00 0.02 0.00 0.00 56.10 57.37 3kd9 s TRP 29 Cb 0.11 -2.76 0.11 0.00 -1.15 0.00 0.00 33.47 29.78 3kd9 s TRP 29 CO 0.35 -0.80 0.45 0.34 0.02 0.00 0.00 176.95 177.31 3kd9 s ASP 30 N -4.05 6.13 -0.28 2.95 2.15 -1.03 -5.01 116.67 117.53 3kd9 s ASP 30 Ca 0.56 -1.61 -0.09 0.00 0.43 0.00 0.00 52.55 51.84 3kd9 s ASP 30 Cb -0.12 -2.18 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 3kd9 s ASP 30 CO 0.53 -0.76 0.13 -0.69 -0.17 0.00 0.00 175.17 174.21 3kd9 s VAL 31 N 1.60 4.68 -0.08 1.11 1.01 -1.26 -1.67 120.40 125.78 3kd9 s VAL 31 Ca 0.04 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3kd9 s VAL 31 Cb -0.27 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 3kd9 s VAL 31 CO 0.04 0.21 -0.22 -0.54 0.00 0.00 0.00 175.10 174.59 3kd9 s LYS 32 N 1.65 2.69 -0.11 2.72 1.02 -0.76 -1.51 119.74 125.44 3kd9 s LYS 32 Ca 0.06 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.20 3kd9 s LYS 32 Cb -0.16 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3kd9 s LYS 32 CO 0.06 0.22 0.02 0.08 -0.92 0.00 0.00 175.35 174.82 3kd9 s VAL 33 N 0.23 4.49 -0.52 3.17 1.01 -1.12 -1.21 120.40 126.44 3kd9 s VAL 33 Ca -0.14 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3kd9 s VAL 33 Cb -0.16 -2.93 0.13 0.00 0.00 0.00 0.00 36.38 33.42 3kd9 s VAL 33 CO 0.07 0.57 0.29 -0.36 0.00 0.00 0.00 175.10 175.66 3kd9 s PHE 34 N -0.54 3.34 -0.04 5.22 0.08 0.47 -1.05 117.98 125.46 3kd9 s PHE 34 Ca 0.10 -2.97 -0.19 0.00 0.12 0.00 0.00 56.93 53.98 3kd9 s PHE 34 Cb -0.12 -2.97 -0.05 0.00 -0.57 0.00 0.00 43.02 39.31 3kd9 s PHE 34 CO 0.02 -0.81 0.55 -2.00 -0.10 0.00 0.00 175.22 172.88 3kd9 s GLU 35 N -0.00 4.29 0.19 0.44 -6.30 -0.53 -3.23 118.70 113.55 3kd9 s GLU 35 Ca 0.16 0.62 0.02 0.00 -2.50 0.00 0.00 54.97 53.27 3kd9 s GLU 35 Cb -0.23 -3.37 0.08 0.00 0.00 0.00 0.00 34.13 30.61 3kd9 s GLU 35 CO -0.02 0.32 1.44 0.00 0.02 0.00 0.00 175.26 177.01 3kd9 h ALA 36 N 5.95 0.63 -3.19 6.30 0.00 -1.81 1.22 119.26 128.37 3kd9 h ALA 36 Ca -0.44 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.82 3kd9 h ALA 36 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kd9 h ALA 36 CO 0.71 0.83 0.00 -2.37 0.00 0.00 0.00 179.25 178.42 3kd9 n THR 37 N -3.75 0.00 0.81 0.00 5.66 -1.26 -3.16 114.28 112.58 3kd9 n THR 37 Ca -0.03 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.05 3kd9 n THR 37 Cb 0.73 -1.61 -0.06 0.00 -1.55 0.00 0.00 70.33 67.84 3kd9 n THR 37 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3kd9 n GLU 38 N -0.49 1.40 -3.78 1.09 1.02 -1.26 0.10 120.64 118.71 3kd9 n GLU 38 Ca 0.00 -0.37 -0.21 0.00 -0.02 0.00 0.00 57.16 56.55 3kd9 n GLU 38 Cb 0.00 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 3kd9 n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3kd9 s TRP 39 N -2.40 2.80 0.03 -0.32 0.51 -1.26 -4.97 118.94 113.33 3kd9 s TRP 39 Ca 0.10 -0.39 -0.12 0.00 -2.12 0.00 0.00 56.10 53.57 3kd9 s TRP 39 Cb 0.14 -1.91 0.01 0.00 -0.81 0.00 0.00 33.47 30.90 3kd9 s TRP 39 CO 0.60 0.10 0.26 0.08 -0.51 0.00 0.00 176.95 177.49 3kd9 s VAL 40 N -2.39 0.09 0.00 4.03 1.01 -1.26 -4.89 120.40 116.99 3kd9 s VAL 40 Ca 0.43 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3kd9 s VAL 40 Cb -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3kd9 s VAL 40 CO 0.26 -0.40 0.00 -1.20 0.00 0.00 0.00 175.10 173.77 3kd9 n SER 41 N 0.78 0.00 -0.21 3.32 7.64 -0.99 -5.02 113.62 119.14 3kd9 n SER 41 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 3kd9 n SER 41 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 3kd9 n SER 41 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3kd9 n GLU 66 N 0.00 0.00 -0.00 1.43 0.00 -1.26 -4.83 120.64 115.97 3kd9 n GLU 66 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.16 3kd9 n GLU 66 Cb 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 31.44 30.74 3kd9 n GLU 66 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3kd9 n VAL 67 N -0.49 0.01 0.30 3.84 0.24 -1.26 -3.83 118.33 117.14 3kd9 n VAL 67 Ca 0.00 -0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.46 3kd9 n VAL 67 Cb 0.14 -1.11 0.63 0.00 -1.47 0.00 0.00 33.84 32.03 3kd9 n VAL 67 CO 0.00 0.00 0.00 2.19 -2.14 0.00 0.00 176.83 176.88 3kd9 h PHE 68 N 4.44 0.00 0.00 6.34 -0.00 -2.01 -0.60 116.94 125.11 3kd9 h PHE 68 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 3kd9 h PHE 68 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 3kd9 h PHE 68 CO 0.61 0.00 -0.07 0.82 -0.00 0.00 0.00 178.31 179.67 3kd9 h ILE 69 N 0.00 0.21 -0.11 0.88 5.03 -1.91 -1.84 117.51 119.77 3kd9 h ILE 69 Ca 0.00 -0.59 -0.16 0.00 -0.12 0.00 0.00 64.86 63.99 3kd9 h ILE 69 Cb 0.51 1.48 -0.01 0.00 -3.03 0.00 0.00 36.82 35.77 3kd9 h ILE 69 CO 0.00 0.07 -0.60 0.11 -0.68 0.00 0.00 178.15 177.05 3kd9 h LYS 70 N 0.00 0.39 -0.00 2.37 1.57 -1.21 -1.65 116.57 118.04 3kd9 h LYS 70 Ca -0.00 -0.26 -0.16 0.00 -1.87 0.00 0.00 60.65 58.35 3kd9 h LYS 70 Cb 0.48 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3kd9 h LYS 70 CO 0.01 0.87 -0.76 1.57 -0.57 0.00 0.00 179.45 180.57 3kd9 h LYS 71 N 0.29 0.01 0.00 3.15 -0.00 -1.43 -2.79 116.57 115.80 3kd9 h LYS 71 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.64 3kd9 h LYS 71 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.36 3kd9 h LYS 71 CO 0.10 0.76 0.00 0.07 -0.00 0.00 0.00 179.45 180.39 3kd9 h ARG 72 N 0.00 0.00 0.00 0.07 -0.00 -1.22 -3.45 114.38 109.78 3kd9 h ARG 72 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 3kd9 h ARG 72 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.32 3kd9 h ARG 72 CO 0.10 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.48 3kd9 n GLY 73 N -0.30 0.67 3.72 0.08 0.00 -1.05 -4.93 105.19 103.37 3kd9 n GLY 73 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3kd9 n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kd9 s ILE 74 N -2.00 5.13 -1.15 -0.61 1.01 -0.64 -4.73 121.20 118.21 3kd9 s ILE 74 Ca 0.00 1.15 -0.16 0.00 0.00 0.00 0.00 60.65 61.65 3kd9 s ILE 74 Cb 0.00 -3.91 0.15 0.00 0.01 0.00 0.00 42.46 38.71 3kd9 s ILE 74 CO 0.00 0.29 1.40 -0.62 0.00 0.00 0.00 174.94 176.01 3kd9 s ASP 75 N 0.71 6.94 0.07 3.58 2.15 -0.57 -3.86 116.67 125.68 3kd9 s ASP 75 Ca 0.31 -2.69 -0.30 0.00 0.43 0.00 0.00 52.55 50.30 3kd9 s ASP 75 Cb -0.16 -2.42 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 3kd9 s ASP 75 CO 0.13 -0.88 0.99 -0.22 -0.17 0.00 0.00 175.17 175.02 3kd9 s LEU 76 N 2.19 4.44 -0.33 -1.34 2.96 -1.26 -2.78 118.68 122.56 3kd9 s LEU 76 Ca 0.42 1.76 0.04 0.00 -0.22 0.00 0.00 54.13 56.13 3kd9 s LEU 76 Cb -0.02 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.18 3kd9 s LEU 76 CO -0.02 -0.17 0.02 -1.00 -1.32 0.00 0.00 176.35 173.86 3kd9 s HIS 77 N 0.46 3.68 0.73 5.38 3.76 -0.22 -4.95 115.29 124.14 3kd9 s HIS 77 Ca 0.50 -2.89 -0.11 0.00 -0.15 0.00 0.00 55.06 52.41 3kd9 s HIS 77 Cb -0.23 -2.76 0.03 0.00 1.11 0.00 0.00 32.58 30.74 3kd9 s HIS 77 CO 0.29 -0.94 1.09 -0.51 -0.85 0.00 0.00 174.74 173.82 3kd9 s LEU 78 N 0.94 2.84 -0.94 0.89 1.43 -1.26 -1.46 118.68 121.12 3kd9 s LEU 78 Ca 0.07 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 3kd9 s LEU 78 Cb -0.19 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 41.98 3kd9 s LEU 78 CO -0.07 -1.57 0.00 0.59 0.23 0.00 0.00 176.35 175.52 3kd9 n ASN 79 N -3.18 -2.95 -3.89 2.29 4.13 0.28 -4.85 115.26 107.10 3kd9 n ASN 79 Ca 0.07 0.25 -0.42 0.00 1.68 0.00 0.00 54.58 56.16 3kd9 n ASN 79 Cb 0.56 -2.69 0.01 0.00 -1.54 0.00 0.00 39.78 36.12 3kd9 n ASN 79 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kd9 n ALA 80 N -1.08 5.38 -1.90 5.41 0.00 0.40 -4.61 120.51 124.12 3kd9 n ALA 80 Ca -0.11 -4.76 -0.42 0.00 0.00 0.00 0.00 53.44 48.15 3kd9 n ALA 80 Cb 0.46 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 3kd9 n ALA 80 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3kd9 s GLU 81 N -3.18 4.19 -0.03 0.00 2.12 -1.22 -4.22 118.70 116.36 3kd9 s GLU 81 Ca 0.33 2.38 -0.26 0.00 0.36 0.00 0.00 54.97 57.78 3kd9 s GLU 81 Cb 0.09 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 3kd9 s GLU 81 CO 0.05 -0.71 0.82 0.08 -0.54 0.00 0.00 175.26 174.96 3kd9 s VAL 82 N 2.13 4.95 -0.09 3.70 1.01 -1.26 -0.34 120.40 130.50 3kd9 s VAL 82 Ca 0.74 1.71 0.04 0.00 0.00 0.00 0.00 61.98 64.46 3kd9 s VAL 82 Cb -0.42 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 3kd9 s VAL 82 CO 0.32 0.22 0.12 0.00 0.00 0.00 0.00 175.10 175.76 3kd9 n ILE 83 N 3.77 0.00 -3.68 2.22 0.13 -0.81 -4.92 119.36 116.06 3kd9 n ILE 83 Ca 0.02 -0.26 -0.14 0.00 -1.10 0.00 0.00 62.75 61.27 3kd9 n ILE 83 Cb 0.51 0.73 -0.07 0.00 -0.84 0.00 0.00 39.64 39.97 3kd9 n ILE 83 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 3kd9 s GLU 84 N -1.77 0.84 -0.13 9.51 2.12 -1.16 -5.01 118.70 123.11 3kd9 s GLU 84 Ca 0.00 -0.20 -0.13 0.00 0.36 0.00 0.00 54.97 55.01 3kd9 s GLU 84 Cb 0.03 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.83 3kd9 s GLU 84 CO 0.15 -0.26 0.36 0.54 -0.54 0.00 0.00 175.26 175.51 3kd9 s VAL 85 N -1.82 0.00 0.20 3.70 0.11 -1.26 -0.75 120.40 120.59 3kd9 s VAL 85 Ca -0.09 -0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.79 3kd9 s VAL 85 Cb -0.02 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 3kd9 s VAL 85 CO 0.02 -0.01 0.46 -0.62 -3.33 0.00 0.00 175.10 171.62 3kd9 s ASP 86 N 0.11 -0.14 0.26 3.54 -1.08 -0.05 -4.61 116.67 114.70 3kd9 s ASP 86 Ca -0.01 -0.69 0.12 0.00 -0.52 0.00 0.00 52.55 51.45 3kd9 s ASP 86 Cb -0.03 0.55 0.88 0.00 -1.46 0.00 0.00 42.92 42.86 3kd9 s ASP 86 CO 0.01 -1.05 1.13 0.41 0.52 0.00 0.00 175.17 176.19 3kd9 n THR 87 N -0.32 -0.30 -0.11 1.71 -1.04 -1.26 -2.15 114.28 110.81 3kd9 n THR 87 Ca -0.07 1.48 -0.14 0.00 -2.04 0.00 0.00 64.05 63.28 3kd9 n THR 87 Cb 0.62 -2.35 -0.11 0.00 -1.82 0.00 0.00 70.33 66.67 3kd9 n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kd9 n GLY 88 N -1.22 -0.47 3.43 3.41 0.00 -1.26 -4.87 105.19 104.20 3kd9 n GLY 88 Ca 0.25 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 3kd9 n GLY 88 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kd9 s TYR 89 N -2.45 1.74 0.04 1.61 -0.85 -0.91 -1.16 117.35 115.38 3kd9 s TYR 89 Ca -0.25 -1.24 0.05 0.00 -0.52 0.00 0.00 57.07 55.12 3kd9 s TYR 89 Cb 0.07 -1.07 -0.02 0.00 0.38 0.00 0.00 41.96 41.32 3kd9 s TYR 89 CO 0.58 -0.31 -0.15 0.54 -1.52 0.00 0.00 175.55 174.68 3kd9 s VAL 90 N -3.40 1.22 -0.57 -3.49 0.11 0.14 -0.87 120.40 113.54 3kd9 s VAL 90 Ca 0.31 -1.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.31 3kd9 s VAL 90 Cb 0.05 -1.10 0.15 0.00 -1.53 0.00 0.00 36.38 33.95 3kd9 s VAL 90 CO 0.16 0.03 0.36 -0.60 -3.33 0.00 0.00 175.10 171.71 3kd9 s ARG 91 N -1.18 2.30 0.01 1.54 3.52 0.07 -1.41 118.95 123.80 3kd9 s ARG 91 Ca 0.03 -2.54 -0.15 0.00 -0.13 0.00 0.00 55.73 52.94 3kd9 s ARG 91 Cb -0.08 -3.56 -0.06 0.00 -1.56 0.00 0.00 34.95 29.69 3kd9 s ARG 91 CO 0.01 -1.14 0.41 0.54 -0.81 0.00 0.00 175.30 174.32 3kd9 s VAL 92 N -0.11 5.02 -0.56 7.11 0.11 -0.15 -1.93 120.40 129.88 3kd9 s VAL 92 Ca 0.17 0.84 -0.18 0.00 -2.93 0.00 0.00 61.98 59.87 3kd9 s VAL 92 Cb -0.22 -3.72 0.10 0.00 -1.53 0.00 0.00 36.38 31.02 3kd9 s VAL 92 CO -0.02 0.56 0.63 -0.60 -3.33 0.00 0.00 175.10 172.34 3kd9 s ARG 93 N -1.13 3.03 -0.06 1.54 3.52 0.54 -1.43 118.95 124.95 3kd9 s ARG 93 Ca 0.24 -1.39 0.01 0.00 -0.13 0.00 0.00 55.73 54.47 3kd9 s ARG 93 Cb -0.17 -4.25 0.02 0.00 -1.56 0.00 0.00 34.95 28.99 3kd9 s ARG 93 CO 0.14 -1.43 -0.06 -2.00 -0.81 0.00 0.00 175.30 171.14 3kd9 s GLU 94 N 2.34 1.08 -0.69 5.12 2.12 -0.77 -3.42 118.70 124.48 3kd9 s GLU 94 Ca 0.09 -0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.24 3kd9 s GLU 94 Cb -0.25 -1.09 -0.03 0.00 0.26 0.00 0.00 34.13 33.01 3kd9 s GLU 94 CO 0.06 -0.12 0.62 0.09 -0.54 0.00 0.00 175.26 175.37 3kd9 n ASN 95 N 4.31 -5.73 0.00 -1.70 5.03 -1.26 -3.61 115.26 112.30 3kd9 n ASN 95 Ca -0.20 -0.36 0.00 0.00 0.87 0.00 0.00 54.58 54.90 3kd9 n ASN 95 Cb 0.51 -4.05 0.00 0.00 -1.02 0.00 0.00 39.78 35.22 3kd9 n ASN 95 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kd9 n GLY 96 N -1.39 0.73 3.95 7.41 0.00 -1.26 -4.86 105.19 109.76 3kd9 n GLY 96 Ca -0.03 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 3kd9 n GLY 96 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kd9 s GLY 97 N 0.00 1.37 0.61 -0.02 0.00 -1.24 -5.09 107.32 102.96 3kd9 s GLY 97 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.63 3kd9 s GLY 97 CO 0.00 -0.95 1.01 1.85 0.00 0.00 0.00 173.10 175.01 3kd9 s GLU 98 N -4.07 3.56 -0.25 2.90 -6.30 -1.26 -1.84 118.70 111.44 3kd9 s GLU 98 Ca 0.38 0.69 -0.24 0.00 -2.50 0.00 0.00 54.97 53.30 3kd9 s GLU 98 Cb -0.10 -2.10 0.07 0.00 0.00 0.00 0.00 34.13 32.00 3kd9 s GLU 98 CO 0.33 -0.56 0.69 -1.59 0.02 0.00 0.00 175.26 174.15 3kd9 s LYS 99 N -5.15 0.81 -0.10 4.30 0.00 -0.52 -4.88 119.74 114.21 3kd9 s LYS 99 Ca 0.54 0.92 0.03 0.00 0.00 0.00 0.00 55.97 57.47 3kd9 s LYS 99 Cb -0.11 0.40 0.00 0.00 0.00 0.00 0.00 37.83 38.12 3kd9 s LYS 99 CO 0.53 -0.11 -0.21 -1.54 0.00 0.00 0.00 175.35 174.03 3kd9 s SER 100 N 0.29 2.79 -0.01 0.03 1.04 -1.26 -0.98 113.70 115.60 3kd9 s SER 100 Ca -0.01 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 55.96 3kd9 s SER 100 Cb -0.05 -1.28 -0.03 0.00 0.10 0.00 0.00 66.02 64.76 3kd9 s SER 100 CO 0.01 0.12 -0.10 -0.31 0.98 0.00 0.00 173.24 173.95 3kd9 s TYR 101 N 0.48 2.81 0.60 5.02 2.02 -0.50 -4.91 117.35 122.87 3kd9 s TYR 101 Ca -0.16 -0.08 -0.10 0.00 -0.37 0.00 0.00 57.07 56.36 3kd9 s TYR 101 Cb -0.17 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 3kd9 s TYR 101 CO 0.06 0.32 0.98 -2.00 -1.57 0.00 0.00 175.55 173.35 3kd9 s GLU 102 N -1.23 3.56 -0.26 -0.62 2.12 -1.26 -0.68 118.70 120.33 3kd9 s GLU 102 Ca 0.15 0.63 -0.22 0.00 0.36 0.00 0.00 54.97 55.89 3kd9 s GLU 102 Cb -0.11 -2.14 0.07 0.00 0.26 0.00 0.00 34.13 32.21 3kd9 s GLU 102 CO 0.05 -0.52 0.68 1.67 -0.54 0.00 0.00 175.26 176.60 3kd9 s TRP 103 N -3.10 -0.81 -0.06 5.30 1.48 -0.31 -4.87 118.94 116.57 3kd9 s TRP 103 Ca 0.54 1.88 0.21 0.00 -1.06 0.00 0.00 56.10 57.66 3kd9 s TRP 103 Cb -0.11 0.33 -0.31 0.00 -1.16 0.00 0.00 33.47 32.22 3kd9 s TRP 103 CO 0.52 -0.39 0.39 -0.25 -4.06 0.00 0.00 176.95 173.15 3kd9 n ASP 104 N 3.07 0.11 -3.81 -2.66 8.00 0.13 -4.79 116.55 116.59 3kd9 n ASP 104 Ca -0.15 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.20 3kd9 n ASP 104 Cb 0.56 1.78 -0.16 0.00 -0.02 0.00 0.00 41.12 43.28 3kd9 n ASP 104 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kd9 s TYR 105 N -3.28 0.13 0.09 1.24 2.02 -1.09 -4.87 117.35 111.57 3kd9 s TYR 105 Ca -0.08 0.06 0.10 0.00 -0.37 0.00 0.00 57.07 56.77 3kd9 s TYR 105 Cb 0.12 -0.24 -0.03 0.00 -0.40 0.00 0.00 41.96 41.41 3kd9 s TYR 105 CO 0.87 -0.08 -0.25 -1.17 -1.57 0.00 0.00 175.55 173.36 3kd9 s LEU 106 N 0.77 2.25 -0.11 -1.29 2.96 -0.72 -1.23 118.68 121.31 3kd9 s LEU 106 Ca -0.07 -0.66 -0.02 0.00 -0.22 0.00 0.00 54.13 53.16 3kd9 s LEU 106 Cb -0.10 -1.16 0.04 0.00 0.50 0.00 0.00 46.19 45.47 3kd9 s LEU 106 CO -0.02 0.18 0.02 -0.69 -1.32 0.00 0.00 176.35 174.53 3kd9 s VAL 107 N -0.96 0.32 -0.37 1.68 1.01 -0.31 -0.51 120.40 121.27 3kd9 s VAL 107 Ca 0.11 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 3kd9 s VAL 107 Cb -0.10 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.67 3kd9 s VAL 107 CO 0.04 0.08 0.85 -0.36 0.00 0.00 0.00 175.10 175.71 3kd9 s PHE 108 N 1.98 3.10 -0.06 5.22 0.08 -0.62 -0.97 117.98 126.71 3kd9 s PHE 108 Ca 0.03 0.66 0.25 0.00 0.12 0.00 0.00 56.93 57.99 3kd9 s PHE 108 Cb -0.14 -3.52 0.44 0.00 -0.57 0.00 0.00 43.02 39.24 3kd9 s PHE 108 CO -0.06 -0.78 1.16 0.00 -0.10 0.00 0.00 175.22 175.44 3kd9 n ALA 109 N 6.58 2.47 1.58 5.36 0.00 0.55 -1.67 120.51 135.38 3kd9 n ALA 109 Ca 0.05 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 51.02 3kd9 n ALA 109 Cb 0.48 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3kd9 n ALA 109 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kd9 n ASN 110 N 0.23 0.43 0.00 0.00 2.04 -0.02 -4.12 115.26 113.83 3kd9 n ASN 110 Ca 0.07 -2.00 0.00 0.00 -0.44 0.00 0.00 54.58 52.21 3kd9 n ASN 110 Cb 1.07 -0.21 0.00 0.00 -2.53 0.00 0.00 39.78 38.11 3kd9 n ASN 110 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3kd9 n GLY 111 N 0.30 0.92 3.14 4.83 0.00 -1.26 -4.72 105.19 108.40 3kd9 n GLY 111 Ca 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 3kd9 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd9 s ALA 112 N -1.45 1.01 0.23 4.61 0.00 -1.26 -1.87 121.76 123.03 3kd9 s ALA 112 Ca 0.00 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.09 3kd9 s ALA 112 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3kd9 s ALA 112 CO 0.00 0.09 -0.03 -1.12 0.00 0.00 0.00 175.76 174.70 3kd9 s SER 113 N -1.79 4.49 0.42 0.00 0.01 0.79 -4.80 113.70 112.82 3kd9 s SER 113 Ca -0.03 -0.60 -0.26 0.00 1.31 0.00 0.00 55.95 56.38 3kd9 s SER 113 Cb -0.09 -0.83 -0.09 0.00 0.21 0.00 0.00 66.02 65.22 3kd9 s SER 113 CO 0.02 0.04 1.34 -2.84 0.41 0.00 0.00 173.24 172.21 3kd9 s PRO 114 N -3.34 3.87 -0.38 12.44 0.02 -1.26 0.06 135.00 146.41 3kd9 s PRO 114 Ca 0.29 2.24 -0.08 0.00 0.02 0.00 0.00 61.00 63.47 3kd9 s PRO 114 Cb -0.07 -2.72 0.05 0.00 0.02 0.00 0.00 34.50 31.78 3kd9 s PRO 114 CO 0.18 -0.60 0.18 -1.14 -0.33 0.00 0.00 177.00 175.30 3kd9 s GLN 115 N -2.31 2.63 0.25 5.54 0.74 0.60 -4.79 119.66 122.31 3kd9 s GLN 115 Ca 0.58 -1.29 -0.19 0.00 0.05 0.00 0.00 55.36 54.52 3kd9 s GLN 115 Cb -0.40 -3.63 -0.08 0.00 1.10 0.00 0.00 33.01 29.99 3kd9 s GLN 115 CO 0.51 -0.79 0.73 0.14 -0.55 0.00 0.00 175.29 175.33 3kd9 s VAL 116 N 1.43 4.59 0.73 1.34 -7.23 -1.26 -4.16 120.40 115.84 3kd9 s VAL 116 Ca 0.01 1.21 -0.11 0.00 -1.81 0.00 0.00 61.98 61.28 3kd9 s VAL 116 Cb -0.21 -3.80 0.03 0.00 0.56 0.00 0.00 36.38 32.96 3kd9 s VAL 116 CO 0.03 0.12 1.08 -2.84 -0.31 0.00 0.00 175.10 173.17 3kd9 s PRO 117 N -2.21 2.58 -1.17 4.82 0.02 -1.26 -4.93 135.00 132.86 3kd9 s PRO 117 Ca 0.46 1.09 -0.11 0.00 0.02 0.00 0.00 61.00 62.46 3kd9 s PRO 117 Cb -0.15 -1.94 0.23 0.00 0.02 0.00 0.00 34.50 32.66 3kd9 s PRO 117 CO 0.20 -1.39 1.31 0.00 -0.33 0.00 0.00 177.00 176.79 3kd9 n ALA 118 N -3.28 4.17 -2.18 -1.55 0.00 -1.26 -4.96 120.51 111.45 3kd9 n ALA 118 Ca 0.08 -4.47 -0.11 0.00 0.00 0.00 0.00 53.44 48.94 3kd9 n ALA 118 Cb 0.53 -2.74 -0.10 0.00 0.00 0.00 0.00 19.45 17.14 3kd9 n ALA 118 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3kd9 s ILE 119 N -0.03 0.72 -0.01 0.00 -4.36 -1.26 -5.11 121.20 111.14 3kd9 s ILE 119 Ca 0.37 -1.95 -0.37 0.00 -0.26 0.00 0.00 60.65 58.44 3kd9 s ILE 119 Cb -0.05 -1.75 -0.15 0.00 1.25 0.00 0.00 42.46 41.75 3kd9 s ILE 119 CO -0.03 -0.81 1.57 1.21 0.24 0.00 0.00 174.94 177.12 3kd9 n GLU 120 N -0.08 1.52 -3.59 0.37 2.13 -1.25 -3.33 120.64 116.41 3kd9 n GLU 120 Ca -0.11 0.55 -0.23 0.00 0.66 0.00 0.00 57.16 58.04 3kd9 n GLU 120 Cb 0.61 -2.26 0.07 0.00 0.27 0.00 0.00 31.44 30.13 3kd9 n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kd9 n GLY 121 N 3.40 -0.47 0.23 8.31 0.00 -1.26 -2.34 105.19 113.06 3kd9 n GLY 121 Ca 0.21 0.20 0.16 0.00 0.00 0.00 0.00 46.02 46.58 3kd9 n GLY 121 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kd9 h VAL 122 N -2.36 0.00 -0.81 1.61 2.07 -1.85 -2.87 116.25 112.04 3kd9 h VAL 122 Ca -0.58 -0.03 -0.57 0.00 0.82 0.00 0.00 66.70 66.34 3kd9 h VAL 122 Cb 1.36 0.73 -0.37 0.00 -1.52 0.00 0.00 31.29 31.49 3kd9 h VAL 122 CO 0.56 0.00 -0.22 0.59 0.02 0.00 0.00 177.57 178.52 3kd9 n ASN 123 N -2.58 5.72 -4.78 0.57 5.03 -1.26 -4.82 115.26 113.14 3kd9 n ASN 123 Ca -0.02 -3.77 -0.37 0.00 0.87 0.00 0.00 54.58 51.30 3kd9 n ASN 123 Cb 0.07 -0.57 -0.05 0.00 -1.02 0.00 0.00 39.78 38.20 3kd9 n ASN 123 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kd9 s LEU 124 N -3.66 4.28 0.58 3.41 1.02 -1.09 -4.91 118.68 118.31 3kd9 s LEU 124 Ca 0.55 1.95 0.33 0.00 0.02 0.00 0.00 54.13 56.98 3kd9 s LEU 124 Cb 0.44 -4.05 1.35 0.00 0.02 0.00 0.00 46.19 43.95 3kd9 s LEU 124 CO 0.02 -0.23 1.62 0.11 0.02 0.00 0.00 176.35 177.89 3kd9 h LYS 125 N 2.96 0.00 -0.50 1.70 1.57 -1.88 -1.18 116.57 119.25 3kd9 h LYS 125 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3kd9 h LYS 125 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3kd9 h LYS 125 CO 0.64 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 3kd9 n GLY 126 N -1.70 1.31 3.83 3.86 0.00 -1.26 -4.89 105.19 106.33 3kd9 n GLY 126 Ca 0.23 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 3kd9 n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kd9 s VAL 127 N -1.50 5.42 0.30 1.61 1.01 -0.45 -0.62 120.40 126.16 3kd9 s VAL 127 Ca 0.30 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.51 3kd9 s VAL 127 Cb 0.17 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3kd9 s VAL 127 CO 0.19 0.57 0.21 -0.36 0.00 0.00 0.00 175.10 175.71 3kd9 s PHE 128 N -0.66 1.59 -0.08 5.22 0.08 -0.23 -4.91 117.98 119.00 3kd9 s PHE 128 Ca 0.13 -1.51 -0.06 0.00 0.12 0.00 0.00 56.93 55.61 3kd9 s PHE 128 Cb -0.12 -0.75 0.03 0.00 -0.57 0.00 0.00 43.02 41.61 3kd9 s PHE 128 CO 0.02 -0.70 0.20 0.95 -0.10 0.00 0.00 175.22 175.60 3kd9 s THR 129 N -3.62 -0.02 -0.72 0.64 -4.23 -1.26 -0.85 115.64 105.58 3kd9 s THR 129 Ca 0.38 0.07 -0.20 0.00 -1.18 0.00 0.00 61.69 60.76 3kd9 s THR 129 Cb 0.04 -0.30 0.10 0.00 1.34 0.00 0.00 72.50 73.68 3kd9 s THR 129 CO 0.21 0.03 0.92 0.00 -0.54 0.00 0.00 174.62 175.23 3kd9 s ALA 130 N 0.59 3.32 0.00 3.99 0.00 -1.26 -4.84 121.76 123.56 3kd9 s ALA 130 Ca -0.04 -2.28 0.00 0.00 0.00 0.00 0.00 51.96 49.64 3kd9 s ALA 130 Cb -0.05 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3kd9 s ALA 130 CO -0.03 -2.67 0.00 -3.47 0.00 0.00 0.00 175.76 169.59 3kd9 n ASP 131 N 6.79 0.00 -4.66 0.00 -0.08 -1.26 -5.04 116.55 112.30 3kd9 n ASP 131 Ca 0.02 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.87 3kd9 n ASP 131 Cb 0.45 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.90 3kd9 n ASP 131 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3kd9 n LEU 132 N 0.00 2.87 -0.29 -2.67 7.99 -1.26 -4.85 117.00 118.80 3kd9 n LEU 132 Ca 0.00 1.19 0.28 0.00 -0.01 0.00 0.00 56.01 57.47 3kd9 n LEU 132 Cb 0.00 -1.41 0.52 0.00 -0.11 0.00 0.00 43.42 42.42 3kd9 n LEU 132 CO 0.00 -0.79 0.94 -0.81 -1.51 0.00 0.00 177.39 175.23 3kd9 n PRO 133 N 0.92 -0.06 -0.10 3.23 -0.04 -1.26 -0.38 135.00 137.31 3kd9 n PRO 133 Ca 0.08 1.25 0.16 0.00 -0.04 0.00 0.00 63.50 64.95 3kd9 n PRO 133 Cb 0.34 -2.24 0.55 0.00 -0.04 0.00 0.00 33.50 32.11 3kd9 n PRO 133 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3kd9 h PRO 134 N 0.00 0.29 -0.85 0.54 0.13 -2.01 -1.63 132.00 128.47 3kd9 h PRO 134 Ca 0.75 -0.02 0.22 0.00 -0.87 0.00 0.00 66.00 66.09 3kd9 h PRO 134 Cb 1.98 -0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.90 3kd9 h PRO 134 CO -0.71 0.19 0.17 -0.44 -0.23 0.00 0.00 178.00 176.99 3kd9 h ASP 135 N 0.30 -0.09 0.67 1.44 5.19 -1.04 0.61 116.42 123.49 3kd9 h ASP 135 Ca 0.32 0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.90 3kd9 h ASP 135 Cb 0.83 0.29 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 3kd9 h ASP 135 CO -0.08 -0.16 -0.44 0.00 -3.12 0.00 0.00 179.24 175.44 3kd9 h ALA 136 N 1.76 -1.10 -0.09 3.45 0.00 -1.47 0.65 119.26 122.47 3kd9 h ALA 136 Ca 0.52 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3kd9 h ALA 136 Cb 1.01 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 3kd9 h ALA 136 CO -0.66 -1.14 -0.20 1.37 0.00 0.00 0.00 179.25 178.62 3kd9 h LEU 137 N -1.06 -0.62 0.21 0.00 -0.00 -1.12 -0.02 115.31 112.70 3kd9 h LEU 137 Ca -0.08 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 3kd9 h LEU 137 Cb 0.86 0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.76 3kd9 h LEU 137 CO 0.07 -0.26 -0.42 0.00 -0.00 0.00 0.00 178.44 177.83 3kd9 h ALA 138 N 0.69 -0.97 -0.34 0.17 0.00 0.32 0.44 119.26 119.56 3kd9 h ALA 138 Ca 0.09 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3kd9 h ALA 138 Cb 0.40 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 3kd9 h ALA 138 CO -0.25 -1.05 -0.17 0.82 0.00 0.00 0.00 179.25 178.59 3kd9 h ILE 139 N -0.68 0.48 0.00 0.00 5.03 0.45 0.19 117.51 122.98 3kd9 h ILE 139 Ca -0.02 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.70 3kd9 h ILE 139 Cb 0.65 0.48 -0.00 0.00 -3.03 0.00 0.00 36.82 34.91 3kd9 h ILE 139 CO -0.17 0.00 -0.08 0.03 -0.68 0.00 0.00 178.15 177.25 3kd9 h ARG 140 N -0.12 0.00 0.32 2.37 2.47 -0.72 -1.08 114.38 117.62 3kd9 h ARG 140 Ca 0.17 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.88 3kd9 h ARG 140 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 3kd9 h ARG 140 CO -0.42 0.08 -0.15 0.93 0.56 0.00 0.00 179.97 180.97 3kd9 h GLU 141 N 0.00 -0.41 -1.25 0.04 3.07 0.28 0.49 114.58 116.80 3kd9 h GLU 141 Ca -0.00 0.03 0.37 0.00 -0.50 0.00 0.00 59.36 59.26 3kd9 h GLU 141 Cb 0.16 0.09 -0.10 0.00 -0.84 0.00 0.00 28.75 28.06 3kd9 h GLU 141 CO 0.01 -0.28 0.83 -0.92 -1.40 0.00 0.00 179.01 177.25 3kd9 h TYR 142 N -0.65 0.45 0.12 4.33 3.20 -0.85 0.86 116.97 124.43 3kd9 h TYR 142 Ca -0.04 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.56 3kd9 h TYR 142 Cb 0.33 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3kd9 h TYR 142 CO 0.06 -0.07 -1.34 0.52 -1.64 0.00 0.00 178.16 175.70 3kd9 h MET 143 N 0.17 0.26 -2.38 1.82 2.86 -1.16 -3.00 114.93 113.51 3kd9 h MET 143 Ca 0.71 -0.45 -0.81 0.00 -2.06 0.00 0.00 59.70 57.09 3kd9 h MET 143 Cb 2.24 0.17 -0.27 0.00 0.06 0.00 0.00 31.60 33.80 3kd9 h MET 143 CO -0.28 1.18 1.05 0.39 1.06 0.00 0.00 176.91 180.31 3kd9 n GLU 144 N -3.50 5.26 0.00 1.72 4.71 0.29 -4.45 120.64 124.67 3kd9 n GLU 144 Ca -0.11 -4.60 0.00 0.00 -0.01 0.00 0.00 57.16 52.44 3kd9 n GLU 144 Cb 1.03 -2.48 0.00 0.00 -1.01 0.00 0.00 31.44 28.98 3kd9 n GLU 144 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 3kd9 n LYS 145 N 0.25 0.00 -1.71 3.49 4.81 -0.88 -4.75 118.16 119.37 3kd9 n LYS 145 Ca 0.44 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.46 3kd9 n LYS 145 Cb 0.27 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.29 3kd9 n LYS 145 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3kd9 n TYR 146 N 0.00 2.69 -1.97 5.64 4.02 -1.13 -4.87 117.16 121.55 3kd9 n TYR 146 Ca 0.00 0.03 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 3kd9 n TYR 146 Cb 0.00 -2.67 -0.03 0.00 -0.02 0.00 0.00 39.34 36.62 3kd9 n TYR 146 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 3kd9 s LYS 147 N 1.40 4.24 -0.09 -0.72 0.00 -1.26 -4.45 119.74 118.86 3kd9 s LYS 147 Ca 0.77 2.34 0.01 0.00 0.00 0.00 0.00 55.97 59.08 3kd9 s LYS 147 Cb -0.52 -3.13 0.02 0.00 0.00 0.00 0.00 37.83 34.20 3kd9 s LYS 147 CO 0.34 -0.52 -0.09 0.08 0.00 0.00 0.00 175.35 175.15 3kd9 s VAL 148 N 0.56 1.03 -0.09 1.79 1.01 -1.26 -5.01 120.40 118.43 3kd9 s VAL 148 Ca 0.65 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 3kd9 s VAL 148 Cb -0.43 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3kd9 s VAL 148 CO 0.38 0.35 -0.23 -0.62 0.00 0.00 0.00 175.10 174.97 3kd9 n GLU 149 N 4.40 0.36 -3.70 2.72 1.02 -1.26 -4.96 120.64 119.23 3kd9 n GLU 149 Ca -0.18 0.14 -0.37 0.00 -0.02 0.00 0.00 57.16 56.74 3kd9 n GLU 149 Cb 0.51 -1.12 -0.10 0.00 -0.02 0.00 0.00 31.44 30.71 3kd9 n GLU 149 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3kd9 s ASN 150 N -5.88 5.95 -0.09 1.62 -0.87 -1.26 -2.10 114.94 112.29 3kd9 s ASN 150 Ca -0.19 0.05 0.03 0.00 -1.57 0.00 0.00 52.86 51.18 3kd9 s ASN 150 Cb 0.03 -2.07 -0.01 0.00 -0.02 0.00 0.00 41.25 39.17 3kd9 s ASN 150 CO 0.29 0.05 -0.20 0.54 -2.57 0.00 0.00 177.10 175.21 3kd9 s VAL 151 N 1.17 2.47 -0.17 1.60 0.11 -0.72 -0.17 120.40 124.68 3kd9 s VAL 151 Ca 0.07 -0.89 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 3kd9 s VAL 151 Cb -0.14 -1.97 -0.02 0.00 -1.53 0.00 0.00 36.38 32.72 3kd9 s VAL 151 CO 0.05 0.55 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.62 3kd9 s VAL 152 N 0.12 3.46 -0.15 2.04 1.01 -0.31 -2.77 120.40 123.81 3kd9 s VAL 152 Ca -0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3kd9 s VAL 152 Cb -0.16 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3kd9 s VAL 152 CO 0.06 0.48 -0.00 -0.63 0.00 0.00 0.00 175.10 175.01 3kd9 s ILE 153 N 0.71 4.24 -0.28 2.22 1.01 -0.77 0.09 121.20 128.43 3kd9 s ILE 153 Ca -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 3kd9 s ILE 153 Cb -0.15 -2.86 0.03 0.00 0.01 0.00 0.00 42.46 39.49 3kd9 s ILE 153 CO 0.02 0.51 -0.01 -0.63 0.00 0.00 0.00 174.94 174.83 3kd9 s ILE 154 N 0.12 3.14 0.00 2.92 1.01 0.70 -1.22 121.20 127.87 3kd9 s ILE 154 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.55 3kd9 s ILE 154 Cb -0.13 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3kd9 s ILE 154 CO 0.02 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.62 3kd9 n GLY 155 N 4.69 3.57 1.77 6.18 0.00 0.30 -1.60 105.19 120.11 3kd9 n GLY 155 Ca -0.15 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 3kd9 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd9 n GLY 156 N -0.62 4.70 0.00 -0.02 0.00 -1.26 -4.60 105.19 103.38 3kd9 n GLY 156 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3kd9 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd9 n GLY 157 N -1.14 -0.75 0.16 -0.02 0.00 -1.26 -1.37 105.19 100.81 3kd9 n GLY 157 Ca 0.48 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 3kd9 n GLY 157 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kd9 h TYR 158 N -0.42 0.63 -0.85 1.61 0.05 -1.95 -1.91 116.97 114.15 3kd9 h TYR 158 Ca 0.00 -0.24 0.01 0.00 0.05 0.00 0.00 58.73 58.54 3kd9 h TYR 158 Cb 0.00 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.59 3kd9 h TYR 158 CO 0.00 0.98 0.55 -0.84 -1.05 0.00 0.00 178.16 177.80 3kd9 h ILE 159 N 0.11 1.22 0.26 -2.88 3.07 -1.94 0.13 117.51 117.48 3kd9 h ILE 159 Ca -0.00 -0.42 -0.01 0.00 1.55 0.00 0.00 64.86 65.97 3kd9 h ILE 159 Cb 0.97 -0.02 0.00 0.00 -0.27 0.00 0.00 36.82 37.50 3kd9 h ILE 159 CO 0.08 0.22 -0.13 1.23 -1.05 0.00 0.00 178.15 178.50 3kd9 h GLY 160 N 1.15 -0.37 1.01 0.16 0.00 -1.78 -1.72 103.07 101.52 3kd9 h GLY 160 Ca 0.31 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.78 3kd9 h GLY 160 CO -0.07 -0.13 0.48 -2.22 0.00 0.00 0.00 176.54 174.60 3kd9 h ILE 161 N -0.51 1.19 -0.41 2.60 2.04 -1.09 0.08 117.51 121.41 3kd9 h ILE 161 Ca -0.04 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 3kd9 h ILE 161 Cb 0.38 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3kd9 h ILE 161 CO 0.06 0.18 -0.09 -0.33 0.00 0.00 0.00 178.15 177.97 3kd9 h GLU 162 N 0.98 0.71 -0.33 2.37 5.08 -0.72 -1.88 114.58 120.80 3kd9 h GLU 162 Ca 0.26 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3kd9 h GLU 162 Cb -0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3kd9 h GLU 162 CO -0.06 0.79 -0.20 0.52 -1.00 0.00 0.00 179.01 179.06 3kd9 h MET 163 N 0.65 0.62 0.47 2.33 2.86 -0.80 -2.62 114.93 118.44 3kd9 h MET 163 Ca 0.12 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 3kd9 h MET 163 Cb 0.54 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3kd9 h MET 163 CO 0.03 0.78 -0.23 0.00 1.06 0.00 0.00 176.91 178.55 3kd9 h ALA 164 N 1.23 -0.64 -1.24 6.32 0.00 -0.50 -2.32 119.26 122.12 3kd9 h ALA 164 Ca 0.09 -0.17 0.37 0.00 0.00 0.00 0.00 54.91 55.19 3kd9 h ALA 164 Cb 0.65 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 3kd9 h ALA 164 CO 0.05 -0.79 0.83 1.49 0.00 0.00 0.00 179.25 180.82 3kd9 h GLU 165 N -0.77 0.17 0.00 0.00 4.81 -1.22 0.70 114.58 118.28 3kd9 h GLU 165 Ca -0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3kd9 h GLU 165 Cb 0.55 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3kd9 h GLU 165 CO 0.11 0.11 0.00 0.00 -0.73 0.00 0.00 179.01 178.50 3kd9 n ALA 166 N -2.59 -0.26 0.05 2.92 0.00 -0.91 -2.13 120.51 117.60 3kd9 n ALA 166 Ca 0.31 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.94 3kd9 n ALA 166 Cb 1.24 0.00 0.71 0.00 0.00 0.00 0.00 19.45 21.40 3kd9 n ALA 166 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kd9 h PHE 167 N 0.00 0.00 -0.27 0.00 0.04 -1.13 0.22 116.94 115.81 3kd9 h PHE 167 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 3kd9 h PHE 167 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3kd9 h PHE 167 CO 0.12 0.00 -0.36 0.00 -0.60 0.00 0.00 178.31 177.46 3kd9 h ALA 168 N 1.73 0.86 0.00 2.45 0.00 -0.95 -1.70 119.26 121.65 3kd9 h ALA 168 Ca 0.21 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kd9 h ALA 168 Cb 0.89 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kd9 h ALA 168 CO -0.00 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3kd9 n ALA 169 N -2.50 2.42 1.16 0.00 0.00 0.70 -2.44 120.51 119.85 3kd9 n ALA 169 Ca -0.01 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.43 3kd9 n ALA 169 Cb 0.50 -1.47 0.43 0.00 0.00 0.00 0.00 19.45 18.90 3kd9 n ALA 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kd9 n GLN 170 N -1.33 0.38 0.00 0.00 1.13 -0.67 -4.88 117.38 112.01 3kd9 n GLN 170 Ca 0.13 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 3kd9 n GLN 170 Cb 0.25 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.11 3kd9 n GLN 170 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kd9 n GLY 171 N 1.40 2.17 3.74 1.08 0.00 -1.02 -5.01 105.19 107.55 3kd9 n GLY 171 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3kd9 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kd9 s LYS 172 N -0.45 2.20 -0.00 1.61 3.01 -0.97 -4.98 119.74 120.15 3kd9 s LYS 172 Ca 0.00 1.53 -0.21 0.00 -1.01 0.00 0.00 55.97 56.28 3kd9 s LYS 172 Cb 0.00 -1.86 -0.05 0.00 -1.01 0.00 0.00 37.83 34.90 3kd9 s LYS 172 CO 0.00 -1.74 0.60 1.21 0.51 0.00 0.00 175.35 175.92 3kd9 s ASN 173 N -2.49 6.98 -0.02 2.83 3.84 -0.89 -4.38 114.94 120.80 3kd9 s ASN 173 Ca 0.69 1.16 0.06 0.00 0.21 0.00 0.00 52.86 54.98 3kd9 s ASN 173 Cb -0.24 -2.37 -0.01 0.00 -0.55 0.00 0.00 41.25 38.08 3kd9 s ASN 173 CO 0.47 0.10 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.99 3kd9 s VAL 174 N -0.18 1.62 -0.06 -5.21 1.01 -1.26 -1.76 120.40 114.56 3kd9 s VAL 174 Ca 0.31 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3kd9 s VAL 174 Cb -0.18 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.87 3kd9 s VAL 174 CO 0.17 0.46 -0.08 -0.89 0.00 0.00 0.00 175.10 174.76 3kd9 s THR 175 N -0.44 0.81 -0.11 3.92 2.01 -1.11 -1.06 115.64 119.66 3kd9 s THR 175 Ca 0.07 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 3kd9 s THR 175 Cb -0.08 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 3kd9 s THR 175 CO -0.00 0.29 -0.06 -0.32 -0.69 0.00 0.00 174.62 173.83 3kd9 s MET 176 N 0.93 3.15 -0.17 4.92 1.75 0.17 -1.84 119.30 128.21 3kd9 s MET 176 Ca -0.10 -0.55 0.00 0.00 -1.25 0.00 0.00 55.69 53.79 3kd9 s MET 176 Cb -0.15 -2.71 0.01 0.00 2.84 0.00 0.00 34.83 34.82 3kd9 s MET 176 CO 0.01 0.46 -0.16 0.42 -0.65 0.00 0.00 175.02 175.09 3kd9 s ILE 177 N -0.26 2.46 -0.05 10.11 1.01 -0.36 -0.46 121.20 133.66 3kd9 s ILE 177 Ca 0.04 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.88 3kd9 s ILE 177 Cb -0.13 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.32 3kd9 s ILE 177 CO 0.03 0.52 -0.07 0.68 0.00 0.00 0.00 174.94 176.09 3kd9 s VAL 178 N 1.06 0.73 -0.42 2.92 -7.23 -0.61 -0.54 120.40 116.31 3kd9 s VAL 178 Ca -0.01 -0.25 0.26 0.00 -1.81 0.00 0.00 61.98 60.18 3kd9 s VAL 178 Cb -0.14 -0.71 0.32 0.00 0.56 0.00 0.00 36.38 36.40 3kd9 s VAL 178 CO -0.05 0.26 1.76 0.08 -0.31 0.00 0.00 175.10 176.85 3kd9 h ARG 179 N 7.03 0.00 -7.23 4.82 0.11 -1.84 0.36 114.38 117.62 3kd9 h ARG 179 Ca -0.36 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.27 3kd9 h ARG 179 Cb 1.17 0.00 0.08 0.00 1.11 0.00 0.00 29.97 32.32 3kd9 h ARG 179 CO 0.48 0.00 0.18 0.20 0.10 0.00 0.00 179.97 180.93 3kd9 s GLY 180 N -3.87 1.73 0.23 0.08 0.00 -1.26 -3.94 107.32 100.28 3kd9 s GLY 180 Ca 0.06 -1.11 0.23 0.00 0.00 0.00 0.00 44.72 43.91 3kd9 s GLY 180 CO 0.56 -0.68 1.70 -1.84 0.00 0.00 0.00 173.10 172.84 3kd9 n GLU 181 N -2.86 0.18 -3.58 2.90 0.00 -1.26 -2.17 120.64 113.85 3kd9 n GLU 181 Ca 0.09 0.39 -0.07 0.00 0.00 0.00 0.00 57.16 57.57 3kd9 n GLU 181 Cb 0.60 -1.84 -0.02 0.00 0.00 0.00 0.00 31.44 30.19 3kd9 n GLU 181 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 3kd9 s ARG 182 N -3.28 1.04 0.65 3.44 1.70 -1.26 -4.86 118.95 116.38 3kd9 s ARG 182 Ca 0.05 -0.46 -0.15 0.00 -0.47 0.00 0.00 55.73 54.70 3kd9 s ARG 182 Cb 0.10 0.43 -0.00 0.00 -0.57 0.00 0.00 34.95 34.90 3kd9 s ARG 182 CO 0.39 -0.46 1.11 0.14 -1.08 0.00 0.00 175.30 175.40 3kd9 s VAL 183 N -3.29 3.29 -1.37 4.99 -7.23 -1.26 -3.03 120.40 112.50 3kd9 s VAL 183 Ca 0.07 0.60 -0.07 0.00 -1.81 0.00 0.00 61.98 60.77 3kd9 s VAL 183 Cb -0.01 -3.13 0.04 0.00 0.56 0.00 0.00 36.38 33.84 3kd9 s VAL 183 CO -0.06 -0.37 0.49 0.18 -0.31 0.00 0.00 175.10 175.03 3kd9 n LEU 184 N -2.39 -1.93 -0.37 1.32 4.77 -0.47 -4.83 117.00 113.09 3kd9 n LEU 184 Ca 0.10 -0.31 0.28 0.00 -0.03 0.00 0.00 56.01 56.06 3kd9 n LEU 184 Cb 0.52 -2.44 0.55 0.00 -2.33 0.00 0.00 43.42 39.72 3kd9 n LEU 184 CO 0.48 0.16 1.18 -0.09 -1.33 0.00 0.00 177.39 177.79 3kd9 h ARG 185 N -1.04 0.25 -0.00 3.23 2.43 -1.81 -2.06 114.38 115.37 3kd9 h ARG 185 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3kd9 h ARG 185 Cb 1.31 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3kd9 h ARG 185 CO 0.53 0.16 -0.71 0.54 -1.51 0.00 0.00 179.97 178.99 3kd9 n ARG 186 N -4.82 1.84 -0.07 0.20 1.74 -1.26 -4.66 116.66 109.62 3kd9 n ARG 186 Ca 0.32 -0.06 -0.12 0.00 -0.77 0.00 0.00 57.85 57.22 3kd9 n ARG 186 Cb 1.12 -1.24 -0.15 0.00 -1.02 0.00 0.00 32.46 31.17 3kd9 n ARG 186 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3kd9 n SER 187 N -1.28 0.72 -4.24 0.55 7.64 -0.81 -5.01 113.62 111.19 3kd9 n SER 187 Ca 0.03 0.12 -0.15 0.00 1.01 0.00 0.00 58.87 59.88 3kd9 n SER 187 Cb 0.25 0.33 -0.10 0.00 -1.01 0.00 0.00 64.21 63.68 3kd9 n SER 187 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3kd9 s PHE 188 N -2.53 1.28 0.59 1.43 0.08 -1.00 -4.93 117.98 112.90 3kd9 s PHE 188 Ca -0.13 -0.69 -0.15 0.00 0.12 0.00 0.00 56.93 56.07 3kd9 s PHE 188 Cb 0.07 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.82 3kd9 s PHE 188 CO 0.79 0.09 1.04 -0.51 -0.10 0.00 0.00 175.22 176.53 3kd9 s ASP 189 N -2.92 5.96 0.20 1.36 1.01 -1.26 -4.76 116.67 116.25 3kd9 s ASP 189 Ca 0.14 1.71 -0.11 0.00 0.71 0.00 0.00 52.55 55.00 3kd9 s ASP 189 Cb 0.00 -2.52 0.27 0.00 1.01 0.00 0.00 42.92 41.68 3kd9 s ASP 189 CO 0.01 -1.05 1.69 0.50 0.21 0.00 0.00 175.17 176.53 3kd9 h LYS 190 N 0.37 0.18 0.00 8.23 3.64 -1.95 -1.94 116.57 125.10 3kd9 h LYS 190 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3kd9 h LYS 190 Cb 1.21 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3kd9 h LYS 190 CO 0.59 0.12 0.00 1.05 -2.27 0.00 0.00 179.45 178.94 3kd9 h GLU 191 N 0.19 0.00 0.00 1.90 9.09 -2.01 -1.31 114.58 122.45 3kd9 h GLU 191 Ca 0.30 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.53 3kd9 h GLU 191 Cb 0.46 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.53 3kd9 h GLU 191 CO -0.43 0.00 -0.97 0.28 0.05 0.00 0.00 179.01 177.93 3kd9 h VAL 192 N 0.00 1.06 0.00 -1.06 2.07 -1.74 -3.37 116.25 113.21 3kd9 h VAL 192 Ca 0.00 -2.17 -0.03 0.00 0.82 0.00 0.00 66.70 65.33 3kd9 h VAL 192 Cb 0.12 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3kd9 h VAL 192 CO 0.00 0.36 -0.12 0.71 0.02 0.00 0.00 177.57 178.54 3kd9 h THR 193 N -1.00 1.04 -0.89 2.57 1.35 -1.25 -2.76 112.91 111.97 3kd9 h THR 193 Ca -0.27 -0.42 0.07 0.00 -0.55 0.00 0.00 66.41 65.24 3kd9 h THR 193 Cb 1.21 1.23 -0.06 0.00 -1.73 0.00 0.00 68.15 68.80 3kd9 h THR 193 CO -0.16 0.12 0.58 0.44 -0.25 0.00 0.00 175.52 176.25 3kd9 h ASP 194 N 0.00 0.88 -0.24 5.36 3.32 -1.41 0.27 116.42 124.61 3kd9 h ASP 194 Ca -0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3kd9 h ASP 194 Cb 0.22 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3kd9 h ASP 194 CO 0.02 0.57 0.10 0.40 -1.72 0.00 0.00 179.24 178.60 3kd9 h ILE 195 N 1.00 1.16 0.50 0.35 5.03 -1.67 -0.86 117.51 123.02 3kd9 h ILE 195 Ca 0.38 -0.48 -0.02 0.00 -0.12 0.00 0.00 64.86 64.62 3kd9 h ILE 195 Cb 0.21 1.04 0.00 0.00 -3.03 0.00 0.00 36.82 35.05 3kd9 h ILE 195 CO -0.14 0.16 -0.24 0.25 -0.68 0.00 0.00 178.15 177.50 3kd9 h LEU 196 N 0.24 -0.57 -1.56 1.44 5.85 -1.30 -2.73 115.31 116.68 3kd9 h LEU 196 Ca 0.08 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.98 3kd9 h LEU 196 Cb 0.16 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3kd9 h LEU 196 CO -0.01 -0.41 0.53 -0.33 -0.34 0.00 0.00 178.44 177.88 3kd9 h GLU 197 N -0.67 0.40 -0.18 1.25 5.08 -0.41 0.18 114.58 120.23 3kd9 h GLU 197 Ca -0.07 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3kd9 h GLU 197 Cb 0.52 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3kd9 h GLU 197 CO 0.11 0.27 -0.04 1.49 -1.00 0.00 0.00 179.01 179.84 3kd9 h GLU 198 N 0.42 0.01 -0.13 2.33 4.81 -0.84 0.61 114.58 121.78 3kd9 h GLU 198 Ca 0.39 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.47 3kd9 h GLU 198 Cb 0.92 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3kd9 h GLU 198 CO -0.13 0.01 -0.59 -0.22 -0.73 0.00 0.00 179.01 177.35 3kd9 h LYS 199 N 0.01 0.42 -0.49 1.92 1.63 -0.99 -3.23 116.57 115.85 3kd9 h LYS 199 Ca 0.09 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.59 3kd9 h LYS 199 Cb 0.13 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 3kd9 h LYS 199 CO -0.18 0.89 0.23 1.25 -3.45 0.00 0.00 179.45 178.18 3kd9 h LEU 200 N 0.32 0.64 -0.40 5.20 5.85 0.22 -2.48 115.31 124.66 3kd9 h LEU 200 Ca -0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3kd9 h LEU 200 Cb 1.11 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3kd9 h LEU 200 CO 0.10 0.60 0.00 0.29 -0.34 0.00 0.00 178.44 179.09 3kd9 n LYS 201 N -4.61 0.06 -0.03 1.25 5.02 0.20 -2.14 118.16 117.92 3kd9 n LYS 201 Ca 0.02 0.43 0.12 0.00 -2.02 0.00 0.00 58.31 56.87 3kd9 n LYS 201 Cb 0.12 -1.65 0.26 0.00 -0.02 0.00 0.00 35.03 33.74 3kd9 n LYS 201 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kd9 n LYS 202 N -1.78 2.10 0.00 1.97 5.02 -0.93 -4.38 118.16 120.16 3kd9 n LYS 202 Ca 0.01 -1.61 0.00 0.00 -2.02 0.00 0.00 58.31 54.69 3kd9 n LYS 202 Cb 0.10 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3kd9 n LYS 202 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3kd9 n HIS 203 N 0.93 0.00 -3.92 2.13 8.25 -1.01 -5.08 115.22 116.51 3kd9 n HIS 203 Ca 0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.52 3kd9 n HIS 203 Cb 0.51 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.52 3kd9 n HIS 203 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kd9 s VAL 204 N -0.02 0.11 -0.60 1.59 1.01 -0.91 -4.67 120.40 116.92 3kd9 s VAL 204 Ca 0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 3kd9 s VAL 204 Cb 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 36.38 35.78 3kd9 s VAL 204 CO 0.00 -0.52 0.90 0.21 0.00 0.00 0.00 175.10 175.69 3kd9 s ASN 205 N -1.80 6.23 -0.35 3.32 3.04 -0.23 -4.39 114.94 120.77 3kd9 s ASN 205 Ca -0.10 -0.80 -0.22 0.00 0.04 0.00 0.00 52.86 51.79 3kd9 s ASN 205 Cb -0.04 -2.40 0.00 0.00 -1.54 0.00 0.00 41.25 37.27 3kd9 s ASN 205 CO -0.02 -1.29 0.70 -0.22 -3.04 0.00 0.00 177.10 173.23 3kd9 s LEU 206 N 3.77 4.18 -0.51 3.21 2.96 -1.26 -0.66 118.68 130.38 3kd9 s LEU 206 Ca 0.23 0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 54.37 3kd9 s LEU 206 Cb -0.16 -2.90 0.13 0.00 0.50 0.00 0.00 46.19 43.76 3kd9 s LEU 206 CO 0.13 -0.63 0.36 -0.13 -1.32 0.00 0.00 176.35 174.76 3kd9 s ARG 207 N 2.85 2.46 0.27 1.98 1.81 0.40 -4.98 118.95 123.74 3kd9 s ARG 207 Ca 0.28 -1.95 -0.10 0.00 -1.72 0.00 0.00 55.73 52.24 3kd9 s ARG 207 Cb -0.14 -3.85 -0.07 0.00 -0.45 0.00 0.00 34.95 30.44 3kd9 s ARG 207 CO 0.15 -1.17 0.60 -0.51 -0.68 0.00 0.00 175.30 173.68 3kd9 s LEU 208 N 1.00 4.10 -1.29 2.53 1.43 -1.26 -1.57 118.68 123.62 3kd9 s LEU 208 Ca 0.09 0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 54.07 3kd9 s LEU 208 Cb -0.23 -3.75 0.01 0.00 0.03 0.00 0.00 46.19 42.25 3kd9 s LEU 208 CO -0.03 -0.14 0.96 0.00 0.23 0.00 0.00 176.35 177.38 3kd9 n GLN 209 N -0.42 -6.67 -4.10 1.70 6.02 0.12 -4.93 117.38 109.11 3kd9 n GLN 209 Ca 0.01 0.78 -0.30 0.00 -0.01 0.00 0.00 57.00 57.48 3kd9 n GLN 209 Cb 0.53 -5.59 -0.16 0.00 1.02 0.00 0.00 30.24 26.03 3kd9 n GLN 209 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kd9 s GLU 210 N -6.06 2.37 -0.32 -1.09 2.02 -1.07 -4.92 118.70 109.63 3kd9 s GLU 210 Ca 0.48 -0.59 -0.24 0.00 0.02 0.00 0.00 54.97 54.64 3kd9 s GLU 210 Cb -0.21 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.89 3kd9 s GLU 210 CO 0.59 -0.21 0.80 0.42 0.02 0.00 0.00 175.26 176.89 3kd9 s ILE 211 N 1.39 4.77 0.45 -1.63 1.09 -1.26 -3.71 121.20 122.30 3kd9 s ILE 211 Ca 0.03 1.17 -0.24 0.00 -1.10 0.00 0.00 60.65 60.51 3kd9 s ILE 211 Cb -0.13 -4.17 -0.07 0.00 -1.06 0.00 0.00 42.46 37.02 3kd9 s ILE 211 CO -0.10 -0.29 1.31 -0.89 -0.10 0.00 0.00 174.94 174.87 3kd9 s THR 212 N 3.02 2.51 0.00 2.92 2.01 -1.26 -1.93 115.64 122.91 3kd9 s THR 212 Ca 0.33 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.76 3kd9 s THR 212 Cb -0.14 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.14 3kd9 s THR 212 CO 0.13 0.04 0.00 0.23 -0.69 0.00 0.00 174.62 174.33 3kd9 n MET 213 N -0.30 1.39 -3.78 4.92 2.81 -0.36 -4.88 117.12 116.92 3kd9 n MET 213 Ca 0.06 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.82 3kd9 n MET 213 Cb 0.44 -0.74 -0.10 0.00 -0.71 0.00 0.00 33.22 32.12 3kd9 n MET 213 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3kd9 s LYS 214 N -1.47 0.53 -0.25 0.03 -0.14 -0.49 -3.83 119.74 114.11 3kd9 s LYS 214 Ca 0.00 -0.02 0.00 0.00 -1.36 0.00 0.00 55.97 54.59 3kd9 s LYS 214 Cb 0.00 0.24 0.07 0.00 -1.68 0.00 0.00 37.83 36.46 3kd9 s LYS 214 CO 0.00 -0.12 0.01 0.42 -0.76 0.00 0.00 175.35 174.89 3kd9 s ILE 215 N -0.84 1.27 0.22 2.17 1.01 -0.99 0.69 121.20 124.73 3kd9 s ILE 215 Ca -0.09 -1.24 0.10 0.00 0.00 0.00 0.00 60.65 59.41 3kd9 s ILE 215 Cb -0.05 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 3kd9 s ILE 215 CO 0.03 -0.29 -0.19 -1.83 0.00 0.00 0.00 174.94 172.66 3kd9 s GLU 216 N 1.48 1.45 0.00 2.79 -1.05 -0.69 -4.15 118.70 118.54 3kd9 s GLU 216 Ca 0.00 -1.59 0.00 0.00 -0.15 0.00 0.00 54.97 53.23 3kd9 s GLU 216 Cb -0.18 -1.48 0.00 0.00 -0.44 0.00 0.00 34.13 32.03 3kd9 s GLU 216 CO -0.11 0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.80 3kd9 n GLY 217 N -0.19 0.95 0.00 -3.83 0.00 -1.26 -1.06 105.19 99.80 3kd9 n GLY 217 Ca -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3kd9 n GLY 217 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kd9 n GLU 218 N -0.16 0.00 -0.10 1.61 -0.58 -1.26 -4.63 120.64 115.52 3kd9 n GLU 218 Ca 0.00 0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 3kd9 n GLU 218 Cb 0.00 -0.67 -0.13 0.00 -0.57 0.00 0.00 31.44 30.07 3kd9 n GLU 218 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3kd9 n GLU 219 N -0.18 0.86 -4.38 3.49 -0.58 -1.26 -4.97 120.64 113.61 3kd9 n GLU 219 Ca 0.00 0.04 -0.28 0.00 -0.42 0.00 0.00 57.16 56.50 3kd9 n GLU 219 Cb 0.00 -1.47 -0.13 0.00 -0.57 0.00 0.00 31.44 29.27 3kd9 n GLU 219 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 3kd9 s ARG 220 N -2.45 1.36 0.03 3.49 1.70 -1.26 -2.91 118.95 118.90 3kd9 s ARG 220 Ca -0.17 -1.31 -0.38 0.00 -0.47 0.00 0.00 55.73 53.41 3kd9 s ARG 220 Cb 0.06 -1.80 -0.18 0.00 -0.57 0.00 0.00 34.95 32.47 3kd9 s ARG 220 CO 0.69 0.43 1.29 1.55 -1.08 0.00 0.00 175.30 178.18 3kd9 n VAL 221 N 0.97 0.02 -0.05 4.99 3.14 -1.26 -4.47 118.33 121.66 3kd9 n VAL 221 Ca -0.18 -0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.10 3kd9 n VAL 221 Cb 0.53 -0.60 -0.04 0.00 -1.06 0.00 0.00 33.84 32.66 3kd9 n VAL 221 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3kd9 n GLU 222 N 2.44 0.24 -4.06 1.45 -0.58 -0.38 -4.29 120.64 115.45 3kd9 n GLU 222 Ca 0.20 0.08 -0.10 0.00 -0.42 0.00 0.00 57.16 56.92 3kd9 n GLU 222 Cb 0.15 -1.02 -0.07 0.00 -0.57 0.00 0.00 31.44 29.93 3kd9 n GLU 222 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kd9 s LYS 223 N -2.20 1.46 -0.04 3.49 -0.14 -0.22 -0.04 119.74 122.05 3kd9 s LYS 223 Ca -0.15 -1.39 0.04 0.00 -1.36 0.00 0.00 55.97 53.11 3kd9 s LYS 223 Cb 0.05 0.41 -0.00 0.00 -1.68 0.00 0.00 37.83 36.60 3kd9 s LYS 223 CO 0.21 -0.57 -0.16 0.54 -0.76 0.00 0.00 175.35 174.61 3kd9 s VAL 224 N -4.01 1.30 -0.08 3.17 0.11 0.15 -1.70 120.40 119.32 3kd9 s VAL 224 Ca 0.28 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 3kd9 s VAL 224 Cb 0.02 -1.12 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 3kd9 s VAL 224 CO 0.10 0.38 -0.21 0.54 -3.33 0.00 0.00 175.10 172.58 3kd9 s VAL 225 N 0.01 2.34 0.27 2.04 0.11 0.22 0.11 120.40 125.49 3kd9 s VAL 225 Ca -0.02 -0.94 0.08 0.00 -2.93 0.00 0.00 61.98 58.16 3kd9 s VAL 225 Cb -0.10 -1.90 -0.05 0.00 -1.53 0.00 0.00 36.38 32.80 3kd9 s VAL 225 CO 0.01 0.56 -0.10 0.28 -3.33 0.00 0.00 175.10 172.53 3kd9 s THR 226 N 0.05 1.81 -2.00 5.04 -1.32 0.60 -1.22 115.64 118.59 3kd9 s THR 226 Ca -0.09 -2.18 0.01 0.00 -1.21 0.00 0.00 61.69 58.22 3kd9 s THR 226 Cb -0.15 -2.35 0.02 0.00 -1.51 0.00 0.00 72.50 68.51 3kd9 s THR 226 CO 0.06 -0.37 0.25 -0.90 -2.21 0.00 0.00 174.62 171.44 3kd9 n ASP 227 N -0.56 0.00 0.00 8.08 5.75 -0.81 -1.37 116.55 127.64 3kd9 n ASP 227 Ca -0.06 -0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.55 3kd9 n ASP 227 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 3kd9 n ASP 227 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kd9 n ALA 228 N -0.63 1.07 0.00 2.12 0.00 -1.26 -4.97 120.51 116.84 3kd9 n ALA 228 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3kd9 n ALA 228 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kd9 n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kd9 n GLY 229 N 0.71 -0.63 3.21 0.00 0.00 -0.47 -5.16 105.19 102.85 3kd9 n GLY 229 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 3kd9 n GLY 229 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kd9 s GLU 230 N -0.87 0.50 0.09 1.61 0.41 -1.26 -0.29 118.70 118.89 3kd9 s GLU 230 Ca 0.00 0.12 0.06 0.00 -0.41 0.00 0.00 54.97 54.73 3kd9 s GLU 230 Cb 0.00 0.23 -0.03 0.00 -1.78 0.00 0.00 34.13 32.55 3kd9 s GLU 230 CO 0.00 -0.11 -0.15 0.71 -0.49 0.00 0.00 175.26 175.23 3kd9 s TYR 231 N -0.56 1.33 -0.04 1.61 1.51 0.12 -4.97 117.35 116.34 3kd9 s TYR 231 Ca -0.07 -0.49 -0.13 0.00 -1.01 0.00 0.00 57.07 55.37 3kd9 s TYR 231 Cb -0.04 -0.73 -0.05 0.00 -0.11 0.00 0.00 41.96 41.03 3kd9 s TYR 231 CO 0.02 0.10 0.35 -1.59 -1.11 0.00 0.00 175.55 173.31 3kd9 s LYS 232 N -2.05 3.88 -0.11 -0.62 -2.85 -1.26 0.29 119.74 117.02 3kd9 s LYS 232 Ca 0.02 0.28 -0.10 0.00 -1.00 0.00 0.00 55.97 55.17 3kd9 s LYS 232 Cb -0.08 -3.24 0.03 0.00 -2.06 0.00 0.00 37.83 32.47 3kd9 s LYS 232 CO 0.03 0.64 0.30 0.00 0.10 0.00 0.00 175.35 176.42 3kd9 s ALA 233 N -0.84 -0.74 -0.03 0.59 0.00 0.94 -4.56 121.76 117.12 3kd9 s ALA 233 Ca 0.21 0.87 0.20 0.00 0.00 0.00 0.00 51.96 53.24 3kd9 s ALA 233 Cb -0.15 -0.51 -0.31 0.00 0.00 0.00 0.00 23.12 22.15 3kd9 s ALA 233 CO 0.10 -0.15 0.42 0.39 0.00 0.00 0.00 175.76 176.53 3kd9 n GLU 234 N 3.03 0.61 -3.70 0.00 4.71 0.76 -3.20 120.64 122.85 3kd9 n GLU 234 Ca -0.14 -0.18 -0.11 0.00 -0.01 0.00 0.00 57.16 56.73 3kd9 n GLU 234 Cb 0.58 -1.47 -0.11 0.00 -1.01 0.00 0.00 31.44 29.43 3kd9 n GLU 234 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3kd9 s LEU 235 N -4.40 0.04 -0.02 -4.62 1.98 -1.22 -4.65 118.68 105.78 3kd9 s LEU 235 Ca -0.07 0.85 0.04 0.00 -2.89 0.00 0.00 54.13 52.06 3kd9 s LEU 235 Cb 0.12 1.31 -0.00 0.00 0.66 0.00 0.00 46.19 48.28 3kd9 s LEU 235 CO 0.82 -0.18 -0.14 0.68 -1.89 0.00 0.00 176.35 175.64 3kd9 s VAL 236 N 1.19 1.11 -0.25 1.68 -7.23 0.20 -1.16 120.40 115.96 3kd9 s VAL 236 Ca -0.08 -0.57 -0.07 0.00 -1.81 0.00 0.00 61.98 59.45 3kd9 s VAL 236 Cb -0.08 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 3kd9 s VAL 236 CO -0.10 0.32 0.07 -0.63 -0.31 0.00 0.00 175.10 174.45 3kd9 s ILE 237 N -0.07 4.30 -0.73 -0.62 -1.09 0.11 -1.06 121.20 122.04 3kd9 s ILE 237 Ca 0.00 -0.18 -0.19 0.00 -2.23 0.00 0.00 60.65 58.06 3kd9 s ILE 237 Cb -0.08 -3.01 0.12 0.00 -1.58 0.00 0.00 42.46 37.91 3kd9 s ILE 237 CO 0.01 0.35 0.88 -0.76 -1.23 0.00 0.00 174.94 174.18 3kd9 s LEU 238 N 1.56 5.27 -0.64 2.97 1.02 -0.03 -0.21 118.68 128.61 3kd9 s LEU 238 Ca 0.06 -1.67 0.05 0.00 0.02 0.00 0.00 54.13 52.59 3kd9 s LEU 238 Cb -0.15 -2.34 0.30 0.00 0.02 0.00 0.00 46.19 44.02 3kd9 s LEU 238 CO 0.03 -1.10 0.91 0.00 0.02 0.00 0.00 176.35 176.21 3kd9 n ALA 239 N 6.38 4.48 0.55 4.21 0.00 -0.63 -4.36 120.51 131.15 3kd9 n ALA 239 Ca 0.04 -4.74 0.07 0.00 0.00 0.00 0.00 53.44 48.80 3kd9 n ALA 239 Cb 0.45 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 19.04 3kd9 n ALA 239 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kd9 n THR 240 N 0.30 0.00 0.00 0.00 -2.24 -1.21 -4.11 114.28 107.02 3kd9 n THR 240 Ca 0.31 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3kd9 n THR 240 Cb 0.39 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 3kd9 n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kd9 n GLY 241 N 0.76 3.64 3.42 3.38 0.00 -1.26 -4.93 105.19 110.19 3kd9 n GLY 241 Ca 0.08 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 3kd9 n GLY 241 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kd9 s ILE 242 N -2.00 2.17 -0.13 -0.61 2.07 -1.26 -0.29 121.20 121.15 3kd9 s ILE 242 Ca 0.00 -2.32 -0.11 0.00 -1.41 0.00 0.00 60.65 56.81 3kd9 s ILE 242 Cb 0.00 -2.19 0.04 0.00 0.13 0.00 0.00 42.46 40.44 3kd9 s ILE 242 CO 0.00 -0.47 0.34 -0.75 -1.91 0.00 0.00 174.94 172.15 3kd9 s LYS 243 N -3.54 0.38 0.32 3.50 2.20 0.11 -4.72 119.74 117.99 3kd9 s LYS 243 Ca 0.27 0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 56.12 3kd9 s LYS 243 Cb -0.03 0.13 -0.10 0.00 -1.51 0.00 0.00 37.83 36.31 3kd9 s LYS 243 CO 0.12 -0.08 1.38 -2.14 -0.36 0.00 0.00 175.35 174.27 3kd9 s PRO 244 N 0.47 4.28 -1.26 4.03 0.02 -1.26 -0.15 135.00 141.12 3kd9 s PRO 244 Ca -0.02 2.32 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 3kd9 s PRO 244 Cb -0.04 -3.05 0.17 0.00 0.02 0.00 0.00 34.50 31.60 3kd9 s PRO 244 CO -0.02 -0.33 1.79 0.09 -0.33 0.00 0.00 177.00 178.20 3kd9 n ASN 245 N 1.08 5.15 -0.70 2.53 3.02 -0.78 -4.74 115.26 120.82 3kd9 n ASN 245 Ca 0.02 -3.10 0.08 0.00 -0.03 0.00 0.00 54.58 51.55 3kd9 n ASN 245 Cb 0.41 -1.49 0.23 0.00 -0.61 0.00 0.00 39.78 38.32 3kd9 n ASN 245 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3kd9 n ILE 246 N 3.50 0.44 -0.19 2.41 -5.35 -1.26 -4.48 119.36 114.42 3kd9 n ILE 246 Ca 0.39 -0.49 -0.08 0.00 -0.27 0.00 0.00 62.75 62.30 3kd9 n ILE 246 Cb 0.37 0.32 0.02 0.00 -1.74 0.00 0.00 39.64 38.61 3kd9 n ILE 246 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3kd9 h GLU 247 N 2.36 0.83 0.00 6.28 4.39 -2.00 0.53 114.58 126.98 3kd9 h GLU 247 Ca 0.00 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 3kd9 h GLU 247 Cb 0.53 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3kd9 h GLU 247 CO 0.00 0.74 -0.35 1.25 -1.16 0.00 0.00 179.01 179.49 3kd9 h LEU 248 N 0.75 0.00 0.10 1.33 5.85 -1.99 -2.72 115.31 118.64 3kd9 h LEU 248 Ca 0.18 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.64 3kd9 h LEU 248 Cb 0.23 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.29 3kd9 h LEU 248 CO -0.01 0.35 -1.06 0.00 -0.34 0.00 0.00 178.44 177.37 3kd9 h ALA 249 N 1.65 -0.01 -0.51 1.25 0.00 -1.79 -3.16 119.26 116.69 3kd9 h ALA 249 Ca -0.00 -0.72 0.04 0.00 0.00 0.00 0.00 54.91 54.22 3kd9 h ALA 249 Cb 0.96 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3kd9 h ALA 249 CO 0.05 0.58 0.34 0.87 0.00 0.00 0.00 179.25 181.08 3kd9 h LYS 250 N 0.11 0.54 -0.27 0.00 1.57 -0.80 -0.38 116.57 117.33 3kd9 h LYS 250 Ca -0.16 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3kd9 h LYS 250 Cb 1.77 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.94 3kd9 h LYS 250 CO 0.20 0.35 0.15 0.37 -0.57 0.00 0.00 179.45 179.96 3kd9 h GLN 251 N 0.55 0.37 -0.20 3.15 4.15 -1.45 -1.35 115.11 120.32 3kd9 h GLN 251 Ca 0.21 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3kd9 h GLN 251 Cb 0.15 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3kd9 h GLN 251 CO -0.06 0.27 0.00 -0.11 -1.93 0.00 0.00 178.83 177.01 3kd9 n LEU 252 N -4.46 1.96 -0.09 -2.39 0.00 -0.19 -4.92 117.00 106.90 3kd9 n LEU 252 Ca 0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 56.01 55.18 3kd9 n LEU 252 Cb 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 43.42 43.38 3kd9 n LEU 252 CO 0.35 0.41 -0.01 0.61 0.00 0.00 0.00 177.39 178.76 3kd9 n GLY 253 N 1.19 0.50 3.69 -3.96 0.00 -0.51 -4.98 105.19 101.11 3kd9 n GLY 253 Ca 0.16 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 3kd9 n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kd9 s VAL 254 N -1.99 3.37 -0.07 1.61 1.01 -0.95 -4.88 120.40 118.50 3kd9 s VAL 254 Ca 0.00 0.78 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 3kd9 s VAL 254 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 3kd9 s VAL 254 CO 0.00 -0.00 1.93 -0.60 0.00 0.00 0.00 175.10 176.42 3kd9 s ARG 255 N 2.53 3.86 -0.13 2.72 3.52 -1.26 -4.56 118.95 125.64 3kd9 s ARG 255 Ca 0.69 2.27 -0.09 0.00 -0.13 0.00 0.00 55.73 58.48 3kd9 s ARG 255 Cb -0.36 -4.17 -0.04 0.00 -1.56 0.00 0.00 34.95 28.82 3kd9 s ARG 255 CO 0.29 -1.25 0.17 0.96 -0.81 0.00 0.00 175.30 174.66 3kd9 s ILE 256 N 5.39 5.44 1.03 4.11 -5.25 -1.26 -1.96 121.20 128.70 3kd9 s ILE 256 Ca 0.86 0.28 -0.11 0.00 -0.99 0.00 0.00 60.65 60.69 3kd9 s ILE 256 Cb -0.36 -3.45 0.21 0.00 2.95 0.00 0.00 42.46 41.81 3kd9 s ILE 256 CO 0.36 0.57 1.09 -0.83 -1.79 0.00 0.00 174.94 174.35 3kd9 s GLY 257 N -0.70 1.62 0.05 6.27 0.00 0.27 -4.73 107.32 110.09 3kd9 s GLY 257 Ca 0.15 0.29 0.12 0.00 0.00 0.00 0.00 44.72 45.28 3kd9 s GLY 257 CO 0.04 0.85 1.39 -2.21 0.00 0.00 0.00 173.10 173.17 3kd9 n GLU 258 N -4.58 0.03 0.01 2.90 4.07 -1.26 -0.74 120.64 121.07 3kd9 n GLU 258 Ca 0.08 0.35 0.11 0.00 -0.06 0.00 0.00 57.16 57.64 3kd9 n GLU 258 Cb 0.53 -1.57 0.04 0.00 -0.06 0.00 0.00 31.44 30.38 3kd9 n GLU 258 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3kd9 n THR 259 N -1.62 0.08 0.00 6.31 -2.24 -1.26 -4.95 114.28 110.60 3kd9 n THR 259 Ca 0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3kd9 n THR 259 Cb 0.13 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3kd9 n THR 259 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kd9 n GLY 260 N 1.43 2.23 3.98 3.38 0.00 0.08 -4.96 105.19 111.33 3kd9 n GLY 260 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3kd9 n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd9 s ALA 261 N -2.46 4.13 0.25 4.61 0.00 -1.26 -4.73 121.76 122.30 3kd9 s ALA 261 Ca 0.00 -1.37 -0.31 0.00 0.00 0.00 0.00 51.96 50.28 3kd9 s ALA 261 Cb 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 23.12 21.19 3kd9 s ALA 261 CO 0.00 -0.18 1.53 -0.89 0.00 0.00 0.00 175.76 176.22 3kd9 n ILE 262 N -1.81 0.79 -2.25 0.00 5.41 0.15 0.96 119.36 122.60 3kd9 n ILE 262 Ca 0.01 -0.20 -0.38 0.00 1.00 0.00 0.00 62.75 63.19 3kd9 n ILE 262 Cb 0.58 -1.73 -0.01 0.00 -0.71 0.00 0.00 39.64 37.77 3kd9 n ILE 262 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 176.55 177.41 3kd9 s TRP 263 N 0.19 2.97 0.12 1.39 -0.00 -0.83 0.11 118.94 122.89 3kd9 s TRP 263 Ca 0.68 1.53 -0.12 0.00 -0.00 0.00 0.00 56.10 58.20 3kd9 s TRP 263 Cb -0.58 -3.43 0.01 0.00 -0.00 0.00 0.00 33.47 29.48 3kd9 s TRP 263 CO 0.46 -1.49 0.29 0.99 -0.00 0.00 0.00 176.95 177.21 3kd9 s THR 264 N -1.44 0.10 0.36 5.86 2.01 -1.24 -4.41 115.64 116.88 3kd9 s THR 264 Ca 0.59 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.59 3kd9 s THR 264 Cb -0.31 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 70.81 3kd9 s THR 264 CO 0.39 -0.44 0.12 -0.46 -0.69 0.00 0.00 174.62 173.53 3kd9 n ASN 265 N -0.16 2.66 -0.02 3.53 0.23 -1.03 -4.93 115.26 115.54 3kd9 n ASN 265 Ca -0.13 -2.45 0.22 0.00 -0.53 0.00 0.00 54.58 51.69 3kd9 n ASN 265 Cb 0.63 0.13 0.71 0.00 -2.08 0.00 0.00 39.78 39.17 3kd9 n ASN 265 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3kd9 h GLU 266 N 0.00 0.00 -0.55 -3.83 5.08 -1.92 -0.32 114.58 113.04 3kd9 h GLU 266 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3kd9 h GLU 266 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3kd9 h GLU 266 CO 0.44 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.08 3kd9 n LYS 267 N -4.25 2.36 -1.84 2.33 5.02 -1.26 0.09 118.16 120.60 3kd9 n LYS 267 Ca 0.11 -1.95 -0.13 0.00 -2.02 0.00 0.00 58.31 54.32 3kd9 n LYS 267 Cb 0.67 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.19 3kd9 n LYS 267 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kd9 n MET 268 N 1.01 -0.99 -3.18 1.97 2.81 -0.13 -4.41 117.12 114.20 3kd9 n MET 268 Ca 0.18 0.80 -0.37 0.00 -1.81 0.00 0.00 57.70 56.50 3kd9 n MET 268 Cb 0.49 -4.95 -0.06 0.00 -0.71 0.00 0.00 33.22 27.99 3kd9 n MET 268 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3kd9 s GLN 269 N -3.93 4.21 0.13 0.03 -0.21 -1.26 -1.43 119.66 117.21 3kd9 s GLN 269 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 55.36 56.17 3kd9 s GLN 269 Cb 0.00 -3.01 0.03 0.00 1.00 0.00 0.00 33.01 31.03 3kd9 s GLN 269 CO 0.00 0.48 0.18 0.25 -2.12 0.00 0.00 175.29 174.09 3kd9 n THR 270 N 1.04 0.00 0.56 -0.19 -2.24 0.00 -2.48 114.28 110.97 3kd9 n THR 270 Ca -0.05 -0.32 0.12 0.00 -2.27 0.00 0.00 64.05 61.53 3kd9 n THR 270 Cb 0.51 -1.21 0.45 0.00 -2.10 0.00 0.00 70.33 67.98 3kd9 n THR 270 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3kd9 n SER 271 N -2.96 0.59 -4.73 3.42 3.41 -1.26 -4.69 113.62 107.40 3kd9 n SER 271 Ca 0.03 0.60 -0.35 0.00 -0.26 0.00 0.00 58.87 58.89 3kd9 n SER 271 Cb 0.11 -0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 63.24 3kd9 n SER 271 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kd9 s VAL 272 N -3.17 5.30 0.16 -3.33 1.01 -1.26 -4.94 120.40 114.17 3kd9 s VAL 272 Ca 0.08 0.15 -0.34 0.00 0.00 0.00 0.00 61.98 61.87 3kd9 s VAL 272 Cb 0.11 -3.40 -0.15 0.00 0.00 0.00 0.00 36.38 32.95 3kd9 s VAL 272 CO 0.47 0.47 1.38 1.21 0.00 0.00 0.00 175.10 178.63 3kd9 n GLU 273 N 3.31 1.65 -1.34 2.72 2.13 -1.26 -1.44 120.64 126.40 3kd9 n GLU 273 Ca -0.17 0.59 -0.12 0.00 0.66 0.00 0.00 57.16 58.13 3kd9 n GLU 273 Cb 0.52 -2.24 -0.05 0.00 0.27 0.00 0.00 31.44 29.94 3kd9 n GLU 273 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3kd9 n ASN 274 N 2.57 -5.42 -4.28 4.31 3.02 -1.26 -4.95 115.26 109.25 3kd9 n ASN 274 Ca 0.16 0.29 -0.34 0.00 -0.03 0.00 0.00 54.58 54.66 3kd9 n ASN 274 Cb 0.26 -3.96 -0.15 0.00 -0.61 0.00 0.00 39.78 35.33 3kd9 n ASN 274 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kd9 s VAL 275 N -2.10 3.00 0.47 2.41 1.01 -0.52 -1.75 120.40 122.91 3kd9 s VAL 275 Ca 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3kd9 s VAL 275 Cb 0.00 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 3kd9 s VAL 275 CO 0.00 0.47 0.29 -0.31 0.00 0.00 0.00 175.10 175.55 3kd9 s TYR 276 N 1.18 2.20 -0.18 5.22 4.12 0.33 -0.82 117.35 129.41 3kd9 s TYR 276 Ca 0.02 -0.69 -0.21 0.00 0.02 0.00 0.00 57.07 56.21 3kd9 s TYR 276 Cb -0.14 -1.96 0.05 0.00 -1.52 0.00 0.00 41.96 38.39 3kd9 s TYR 276 CO -0.03 -0.12 0.56 0.00 0.02 0.00 0.00 175.55 175.98 3kd9 s ALA 277 N -2.66 -1.40 -0.02 3.71 0.00 -0.51 -1.59 121.76 119.30 3kd9 s ALA 277 Ca 0.37 1.47 -0.22 0.00 0.00 0.00 0.00 51.96 53.58 3kd9 s ALA 277 Cb 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 23.12 22.42 3kd9 s ALA 277 CO 0.22 -0.28 0.49 0.00 0.00 0.00 0.00 175.76 176.19 3kd9 s ALA 278 N 0.01 -1.26 0.00 0.00 0.00 -0.67 -4.77 121.76 115.07 3kd9 s ALA 278 Ca -0.02 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3kd9 s ALA 278 Cb -0.04 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3kd9 s ALA 278 CO 0.02 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3kd9 n GLY 279 N 0.95 -1.69 0.00 0.00 0.00 -1.26 -4.31 105.19 98.89 3kd9 n GLY 279 Ca -0.20 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 43.99 3kd9 n GLY 279 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kd9 n ASP 280 N 0.02 0.00 -0.02 1.61 8.00 -1.26 -1.31 116.55 123.58 3kd9 n ASP 280 Ca 0.00 0.34 -0.07 0.00 0.71 0.00 0.00 54.79 55.77 3kd9 n ASP 280 Cb 0.00 -0.36 -0.13 0.00 -0.02 0.00 0.00 41.12 40.61 3kd9 n ASP 280 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3kd9 n VAL 281 N -1.36 1.49 -2.91 2.53 0.24 -1.25 -4.38 118.33 112.69 3kd9 n VAL 281 Ca 0.01 -0.78 -0.40 0.00 -2.04 0.00 0.00 64.34 61.13 3kd9 n VAL 281 Cb 0.02 -0.90 -0.06 0.00 -1.47 0.00 0.00 33.84 31.42 3kd9 n VAL 281 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kd9 s ALA 282 N -2.65 3.40 -0.24 2.33 0.00 -0.43 0.29 121.76 124.46 3kd9 s ALA 282 Ca -0.05 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 3kd9 s ALA 282 Cb 0.08 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 3kd9 s ALA 282 CO 0.82 0.22 0.27 -2.00 0.00 0.00 0.00 175.76 175.08 3kd9 s GLU 283 N -0.92 4.07 0.00 0.00 2.12 0.12 -4.76 118.70 119.33 3kd9 s GLU 283 Ca 0.38 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.63 3kd9 s GLU 283 Cb -0.23 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.58 3kd9 s GLU 283 CO 0.27 -0.07 0.00 -2.37 -0.54 0.00 0.00 175.26 172.56 3kd9 n THR 284 N 4.57 0.00 -4.35 -1.70 5.66 -0.68 -3.74 114.28 114.05 3kd9 n THR 284 Ca -0.12 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.63 3kd9 n THR 284 Cb 0.51 -0.76 -0.13 0.00 -1.55 0.00 0.00 70.33 68.40 3kd9 n THR 284 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kd9 s ARG 285 N -1.39 1.23 -0.17 1.09 1.70 -1.26 -0.92 118.95 119.23 3kd9 s ARG 285 Ca 0.00 -1.20 -0.28 0.00 -0.47 0.00 0.00 55.73 53.78 3kd9 s ARG 285 Cb 0.00 -1.55 -0.01 0.00 -0.57 0.00 0.00 34.95 32.83 3kd9 s ARG 285 CO 0.00 0.36 0.96 -1.58 -1.08 0.00 0.00 175.30 173.96 3kd9 s HIS 286 N -1.10 3.43 0.29 5.89 5.65 -0.55 -0.85 115.29 128.04 3kd9 s HIS 286 Ca 0.09 1.44 0.00 0.00 0.25 0.00 0.00 55.06 56.84 3kd9 s HIS 286 Cb -0.10 -3.16 0.51 0.00 -1.18 0.00 0.00 32.58 28.65 3kd9 s HIS 286 CO 0.04 -0.31 1.90 0.28 -0.65 0.00 0.00 174.74 176.00 3kd9 h VAL 287 N 5.24 1.06 0.20 0.89 2.07 -0.92 0.68 116.25 125.46 3kd9 h VAL 287 Ca -0.27 -0.36 -0.28 0.00 0.82 0.00 0.00 66.70 66.61 3kd9 h VAL 287 Cb 1.11 -0.09 0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3kd9 h VAL 287 CO 0.89 0.19 -1.25 0.40 0.02 0.00 0.00 177.57 177.82 3kd9 h ILE 288 N 1.06 1.32 0.07 4.57 2.04 -1.92 -3.40 117.51 121.25 3kd9 h ILE 288 Ca 0.41 -2.60 -0.27 0.00 1.00 0.00 0.00 64.86 63.39 3kd9 h ILE 288 Cb 0.21 3.06 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 3kd9 h ILE 288 CO -0.16 0.77 -1.47 0.74 0.00 0.00 0.00 178.15 178.03 3kd9 h THR 289 N -0.09 0.89 0.00 -0.27 2.02 -1.91 -3.48 112.91 110.07 3kd9 h THR 289 Ca -0.23 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.66 3kd9 h THR 289 Cb 1.94 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 70.82 3kd9 h THR 289 CO 0.20 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.30 3kd9 n GLY 290 N 1.68 0.80 3.84 2.16 0.00 0.23 -5.00 105.19 108.90 3kd9 n GLY 290 Ca -0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 3kd9 n GLY 290 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kd9 s ARG 291 N -0.76 3.30 0.08 1.61 3.52 -1.26 -4.67 118.95 120.77 3kd9 s ARG 291 Ca 0.00 0.87 -0.29 0.00 -0.13 0.00 0.00 55.73 56.18 3kd9 s ARG 291 Cb 0.00 -2.04 -0.05 0.00 -1.56 0.00 0.00 34.95 31.30 3kd9 s ARG 291 CO 0.00 -0.81 0.93 1.03 -0.81 0.00 0.00 175.30 175.64 3kd9 s ARG 292 N -5.02 4.65 0.21 5.12 1.81 -1.26 -1.48 118.95 122.97 3kd9 s ARG 292 Ca 0.57 1.37 0.01 0.00 -1.72 0.00 0.00 55.73 55.96 3kd9 s ARG 292 Cb -0.13 -3.38 -0.05 0.00 -0.45 0.00 0.00 34.95 30.94 3kd9 s ARG 292 CO 0.53 0.19 0.05 0.14 -0.68 0.00 0.00 175.30 175.54 3kd9 s VAL 293 N 0.11 0.55 -0.28 3.52 -7.23 -0.10 -4.86 120.40 112.11 3kd9 s VAL 293 Ca 0.46 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 3kd9 s VAL 293 Cb -0.22 -2.36 0.07 0.00 0.56 0.00 0.00 36.38 34.43 3kd9 s VAL 293 CO 0.28 -0.24 -0.04 0.86 -0.31 0.00 0.00 175.10 175.65 3kd9 s TRP 294 N -3.76 3.05 -0.63 2.82 -0.00 -1.26 -1.68 118.94 117.48 3kd9 s TRP 294 Ca 0.31 -2.30 0.06 0.00 -0.00 0.00 0.00 56.10 54.16 3kd9 s TRP 294 Cb 0.07 -2.07 0.22 0.00 -0.00 0.00 0.00 33.47 31.69 3kd9 s TRP 294 CO 0.08 -0.87 0.63 0.28 -0.00 0.00 0.00 176.95 177.08 3kd9 n VAL 295 N 4.48 1.67 -1.80 5.86 0.31 -1.26 -5.05 118.33 122.54 3kd9 n VAL 295 Ca -0.08 -4.91 -0.20 0.00 -0.01 0.00 0.00 64.34 59.14 3kd9 n VAL 295 Cb 0.43 -2.09 -0.07 0.00 -0.91 0.00 0.00 33.84 31.19 3kd9 n VAL 295 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3kd9 s PRO 296 N -1.92 1.92 0.09 5.55 0.04 -1.26 -4.91 135.00 134.51 3kd9 s PRO 296 Ca 0.35 -0.22 0.06 0.00 0.04 0.00 0.00 61.00 61.22 3kd9 s PRO 296 Cb 0.09 -4.99 -0.03 0.00 0.04 0.00 0.00 34.50 29.61 3kd9 s PRO 296 CO -0.08 -4.32 -0.15 -0.51 0.04 0.00 0.00 177.00 171.98 3kd9 s LEU 297 N 13.37 2.32 0.17 -3.56 1.02 -1.26 -5.01 118.68 125.73 3kd9 s LEU 297 Ca 0.80 -0.69 -0.15 0.00 0.02 0.00 0.00 54.13 54.11 3kd9 s LEU 297 Cb -0.07 -0.55 0.07 0.00 0.02 0.00 0.00 46.19 45.65 3kd9 s LEU 297 CO 0.09 -0.09 1.81 0.00 0.02 0.00 0.00 176.35 178.18 3kd9 h ALA 298 N 4.02 0.59 0.06 4.21 0.00 -1.99 -2.38 119.26 123.77 3kd9 h ALA 298 Ca -0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3kd9 h ALA 298 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kd9 h ALA 298 CO 0.44 -0.03 -0.03 -1.35 0.00 0.00 0.00 179.25 178.28 3kd9 h PRO 299 N 0.56 -0.08 -0.66 0.00 0.11 -1.98 -2.17 132.00 127.77 3kd9 h PRO 299 Ca 0.19 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.37 3kd9 h PRO 299 Cb 0.01 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.08 3kd9 h PRO 299 CO -0.08 0.08 0.35 0.00 -0.21 0.00 0.00 178.00 178.14 3kd9 h ALA 300 N 0.72 0.89 -0.30 -0.75 0.00 -1.93 -2.50 119.26 115.38 3kd9 h ALA 300 Ca -0.01 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kd9 h ALA 300 Cb 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3kd9 h ALA 300 CO 0.01 0.01 0.08 0.78 0.00 0.00 0.00 179.25 180.13 3kd9 h GLY 301 N 0.65 0.35 1.15 0.00 0.00 -1.25 0.19 103.07 104.15 3kd9 h GLY 301 Ca 0.30 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.63 3kd9 h GLY 301 CO -0.20 0.00 0.50 3.43 0.00 0.00 0.00 176.54 180.28 3kd9 h ASN 302 N 0.19 0.82 0.20 0.19 2.35 -1.04 -1.12 115.58 117.16 3kd9 h ASN 302 Ca 0.14 -0.01 -0.23 0.00 -0.55 0.00 0.00 56.30 55.65 3kd9 h ASN 302 Cb 0.13 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.31 3kd9 h ASN 302 CO -0.16 0.57 -0.91 0.11 -1.65 0.00 0.00 177.43 175.38 3kd9 h LYS 303 N 0.95 0.51 -0.13 0.81 1.57 -0.96 -1.48 116.57 117.84 3kd9 h LYS 303 Ca 0.30 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3kd9 h LYS 303 Cb 0.03 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3kd9 h LYS 303 CO -0.08 1.15 0.09 0.52 -0.57 0.00 0.00 179.45 180.55 3kd9 h MET 304 N 0.31 0.18 -0.92 3.15 2.86 -0.20 -0.85 114.93 119.45 3kd9 h MET 304 Ca -0.08 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3kd9 h MET 304 Cb 1.54 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 33.12 3kd9 h MET 304 CO 0.17 0.12 0.61 0.78 1.06 0.00 0.00 176.91 179.65 3kd9 h GLY 305 N 0.18 1.30 0.99 8.32 0.00 -1.21 -1.45 103.07 111.20 3kd9 h GLY 305 Ca 0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3kd9 h GLY 305 CO -0.01 0.46 0.29 -1.82 0.00 0.00 0.00 176.54 175.47 3kd9 h TYR 306 N 1.24 0.85 0.00 5.60 3.20 -0.58 -2.28 116.97 124.99 3kd9 h TYR 306 Ca 0.34 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 62.07 3kd9 h TYR 306 Cb -0.13 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 37.86 3kd9 h TYR 306 CO -0.00 0.64 -0.47 -0.39 -1.64 0.00 0.00 178.16 176.30 3kd9 h VAL 307 N 0.81 0.87 -0.05 1.81 -1.51 -0.79 -2.23 116.25 115.16 3kd9 h VAL 307 Ca 0.20 -2.03 -0.00 0.00 -1.23 0.00 0.00 66.70 63.64 3kd9 h VAL 307 Cb 0.10 2.28 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 3kd9 h VAL 307 CO -0.03 0.46 0.03 0.00 -1.23 0.00 0.00 177.57 176.80 3kd9 h ALA 308 N 1.53 0.07 0.86 5.19 0.00 -1.04 -1.86 119.26 124.00 3kd9 h ALA 308 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3kd9 h ALA 308 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kd9 h ALA 308 CO 0.06 -0.38 -0.47 0.78 0.00 0.00 0.00 179.25 179.24 3kd9 h GLY 309 N -0.02 -1.32 -0.63 0.00 0.00 -1.35 -1.30 103.07 98.45 3kd9 h GLY 309 Ca 0.02 0.52 0.33 0.00 0.00 0.00 0.00 47.33 48.19 3kd9 h GLY 309 CO -0.00 -0.46 0.49 1.76 0.00 0.00 0.00 176.54 178.32 3kd9 h SER 310 N -1.23 0.35 0.05 0.19 0.02 -1.35 0.29 113.55 111.88 3kd9 h SER 310 Ca -0.12 0.21 -0.21 0.00 -0.84 0.00 0.00 61.79 60.83 3kd9 h SER 310 Cb 0.96 0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.71 3kd9 h SER 310 CO 0.16 -0.21 -0.80 0.78 -1.14 0.00 0.00 176.83 175.61 3kd9 h ASN 311 N 0.23 0.75 -0.85 3.07 2.35 -1.09 0.27 115.58 120.31 3kd9 h ASN 311 Ca 0.73 -0.51 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3kd9 h ASN 311 Cb 1.69 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.80 3kd9 h ASN 311 CO -0.66 1.29 0.41 0.40 -1.65 0.00 0.00 177.43 177.21 3kd9 h ILE 312 N 0.41 1.26 0.00 2.81 2.04 0.67 -2.06 117.51 122.65 3kd9 h ILE 312 Ca -0.05 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3kd9 h ILE 312 Cb 1.41 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3kd9 h ILE 312 CO 0.15 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.62 3kd9 n ALA 313 N -2.42 1.98 -0.16 1.87 0.00 -0.07 -4.85 120.51 116.85 3kd9 n ALA 313 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kd9 n ALA 313 Cb 0.14 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3kd9 n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kd9 n GLY 314 N 0.15 0.89 3.31 0.00 0.00 -0.77 -4.94 105.19 103.82 3kd9 n GLY 314 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3kd9 n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kd9 s LYS 315 N -0.84 2.69 -0.02 1.61 -0.14 0.95 -5.00 119.74 119.00 3kd9 s LYS 315 Ca 0.00 -1.22 -0.30 0.00 -1.36 0.00 0.00 55.97 53.09 3kd9 s LYS 315 Cb 0.00 -3.66 -0.07 0.00 -1.68 0.00 0.00 37.83 32.42 3kd9 s LYS 315 CO 0.00 -0.76 1.74 -1.21 -0.76 0.00 0.00 175.35 174.36 3kd9 s GLU 316 N 1.47 4.17 -0.06 1.68 0.41 -1.26 -2.93 118.70 122.17 3kd9 s GLU 316 Ca 0.01 2.33 -0.06 0.00 -0.41 0.00 0.00 54.97 56.83 3kd9 s GLU 316 Cb -0.20 -4.00 0.02 0.00 -1.78 0.00 0.00 34.13 28.17 3kd9 s GLU 316 CO 0.04 -0.87 0.18 -1.17 -0.49 0.00 0.00 175.26 172.95 3kd9 s LEU 317 N 4.02 1.33 -0.08 1.80 2.96 -1.26 -5.02 118.68 122.43 3kd9 s LEU 317 Ca 0.78 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 55.06 3kd9 s LEU 317 Cb -0.37 0.61 -0.01 0.00 0.50 0.00 0.00 46.19 46.92 3kd9 s LEU 317 CO 0.33 -0.07 -0.20 -1.00 -1.32 0.00 0.00 176.35 174.09 3kd9 s HIS 318 N 0.05 2.59 -0.22 5.38 3.76 -1.26 -4.35 115.29 121.25 3kd9 s HIS 318 Ca -0.00 -0.71 -0.20 0.00 -0.15 0.00 0.00 55.06 53.99 3kd9 s HIS 318 Cb -0.01 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 3kd9 s HIS 318 CO 0.00 -0.22 0.59 0.12 -0.85 0.00 0.00 174.74 174.39 3kd9 s PHE 319 N 0.02 3.34 -0.66 1.40 5.36 0.11 -4.95 117.98 122.60 3kd9 s PHE 319 Ca -0.07 0.83 0.23 0.00 -0.96 0.00 0.00 56.93 56.96 3kd9 s PHE 319 Cb -0.15 -2.77 0.90 0.00 -0.34 0.00 0.00 43.02 40.66 3kd9 s PHE 319 CO 0.05 -0.20 1.69 -0.35 -1.46 0.00 0.00 175.22 174.95 3kd9 n PRO 320 N 5.19 0.16 0.00 10.12 -0.04 -1.26 -4.62 135.00 144.54 3kd9 n PRO 320 Ca -0.02 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3kd9 n PRO 320 Cb 0.50 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 3kd9 n PRO 320 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kd9 n GLY 321 N 0.37 -1.28 3.63 0.55 0.00 -1.26 -4.56 105.19 102.63 3kd9 n GLY 321 Ca 0.03 -2.19 -0.28 0.00 0.00 0.00 0.00 46.02 43.58 3kd9 n GLY 321 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kd9 s VAL 322 N -0.36 1.94 -0.03 1.61 -7.23 -0.03 -4.78 120.40 111.51 3kd9 s VAL 322 Ca 0.00 -2.00 0.13 0.00 -1.81 0.00 0.00 61.98 58.30 3kd9 s VAL 322 Cb 0.00 -2.95 -0.21 0.00 0.56 0.00 0.00 36.38 33.79 3kd9 s VAL 322 CO 0.00 0.00 0.26 -0.11 -0.31 0.00 0.00 175.10 174.94 3kd9 n LEU 323 N -0.99 0.00 0.00 1.32 7.94 -1.26 -0.34 117.00 123.67 3kd9 n LEU 323 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 3kd9 n LEU 323 Cb 0.67 0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.67 3kd9 n LEU 323 CO 0.48 0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.42 3kd9 n GLY 324 N 1.79 1.06 3.67 -3.96 0.00 -1.26 -2.43 105.19 104.05 3kd9 n GLY 324 Ca -0.05 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3kd9 n GLY 324 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kd9 s THR 325 N -2.00 2.94 0.02 2.61 2.01 -1.26 -4.56 115.64 115.40 3kd9 s THR 325 Ca 0.00 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.15 3kd9 s THR 325 Cb 0.00 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 3kd9 s THR 325 CO 0.00 -0.01 -0.05 0.00 -0.69 0.00 0.00 174.62 173.87 3kd9 s ALA 326 N 3.81 0.40 -0.03 7.40 0.00 -0.81 -5.00 121.76 127.52 3kd9 s ALA 326 Ca 0.84 -0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 3kd9 s ALA 326 Cb -0.42 0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.71 3kd9 s ALA 326 CO 0.38 -0.00 0.15 0.54 0.00 0.00 0.00 175.76 176.84 3kd9 s VAL 327 N -0.85 0.04 0.25 0.00 0.11 -1.26 -1.05 120.40 117.64 3kd9 s VAL 327 Ca -0.06 -0.31 -0.20 0.00 -2.93 0.00 0.00 61.98 58.48 3kd9 s VAL 327 Cb -0.06 -0.33 0.07 0.00 -1.53 0.00 0.00 36.38 34.53 3kd9 s VAL 327 CO -0.00 -0.17 0.96 0.28 -3.33 0.00 0.00 175.10 172.84 3kd9 s THR 328 N -0.58 0.00 -0.06 5.04 -1.32 -0.36 -5.00 115.64 113.36 3kd9 s THR 328 Ca -0.07 -0.72 -0.30 0.00 -1.21 0.00 0.00 61.69 59.39 3kd9 s THR 328 Cb -0.04 -2.91 0.09 0.00 -1.51 0.00 0.00 72.50 68.13 3kd9 s THR 328 CO 0.01 0.00 0.76 -1.59 -2.21 0.00 0.00 174.62 171.59 3kd9 s LYS 329 N -2.19 0.95 -0.28 7.08 -2.85 -1.26 -0.33 119.74 120.85 3kd9 s LYS 329 Ca 0.20 0.15 0.01 0.00 -1.00 0.00 0.00 55.97 55.33 3kd9 s LYS 329 Cb -0.03 0.45 0.06 0.00 -2.06 0.00 0.00 37.83 36.24 3kd9 s LYS 329 CO 0.07 -0.31 -0.06 0.12 0.10 0.00 0.00 175.35 175.27 3kd9 s PHE 330 N -1.45 3.28 0.00 1.78 2.19 -0.78 -4.72 117.98 118.28 3kd9 s PHE 330 Ca -0.07 -2.17 0.00 0.00 0.33 0.00 0.00 56.93 55.02 3kd9 s PHE 330 Cb -0.00 -2.02 0.00 0.00 -1.31 0.00 0.00 43.02 39.69 3kd9 s PHE 330 CO 0.05 -0.85 0.00 -1.33 1.83 0.00 0.00 175.22 174.92 3kd9 n MET 331 N 4.50 0.00 -0.19 10.12 2.81 -1.26 -1.32 117.12 131.78 3kd9 n MET 331 Ca -0.13 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.87 3kd9 n MET 331 Cb 0.42 0.00 0.21 0.00 -0.71 0.00 0.00 33.22 33.14 3kd9 n MET 331 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3kd9 n ASP 332 N 9.27 3.41 -4.21 7.83 5.75 -1.26 -4.80 116.55 132.54 3kd9 n ASP 332 Ca 0.00 -1.97 -0.39 0.00 -0.01 0.00 0.00 54.79 52.42 3kd9 n ASP 332 Cb 0.00 -0.25 -0.10 0.00 -1.03 0.00 0.00 41.12 39.74 3kd9 n ASP 332 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3kd9 s VAL 333 N -1.42 3.93 0.33 2.12 0.11 -0.44 -4.61 120.40 120.43 3kd9 s VAL 333 Ca 0.37 -1.68 -0.21 0.00 -2.93 0.00 0.00 61.98 57.54 3kd9 s VAL 333 Cb 0.22 -3.52 -0.10 0.00 -1.53 0.00 0.00 36.38 31.45 3kd9 s VAL 333 CO 0.30 -0.61 0.85 -1.61 -3.33 0.00 0.00 175.10 170.70 3kd9 s GLU 334 N 1.33 4.30 -0.03 1.54 2.02 0.19 -1.87 118.70 126.18 3kd9 s GLU 334 Ca 0.05 1.04 -0.01 0.00 0.02 0.00 0.00 54.97 56.07 3kd9 s GLU 334 Cb -0.24 -2.58 0.03 0.00 0.10 0.00 0.00 34.13 31.44 3kd9 s GLU 334 CO -0.00 0.20 0.05 -1.50 0.02 0.00 0.00 175.26 174.02 3kd9 s ILE 335 N -1.81 -0.08 0.26 -1.63 2.07 0.55 0.20 121.20 120.75 3kd9 s ILE 335 Ca 0.52 0.28 -0.06 0.00 -1.41 0.00 0.00 60.65 59.98 3kd9 s ILE 335 Cb -0.14 -0.11 -0.01 0.00 0.13 0.00 0.00 42.46 42.32 3kd9 s ILE 335 CO 0.19 0.12 0.37 -0.83 -1.91 0.00 0.00 174.94 172.87 3kd9 s GLY 336 N 1.42 1.07 0.30 1.50 0.00 0.21 -1.23 107.32 110.59 3kd9 s GLY 336 Ca -0.05 -1.30 -0.17 0.00 0.00 0.00 0.00 44.72 43.21 3kd9 s GLY 336 CO -0.03 -0.96 0.66 -1.59 0.00 0.00 0.00 173.10 171.18 3kd9 s LYS 337 N -3.83 1.84 -0.28 2.90 -2.85 -0.21 0.67 119.74 117.98 3kd9 s LYS 337 Ca 0.30 -1.20 -0.21 0.00 -1.00 0.00 0.00 55.97 53.85 3kd9 s LYS 337 Cb 0.02 0.57 0.11 0.00 -2.06 0.00 0.00 37.83 36.47 3kd9 s LYS 337 CO 0.13 -0.83 0.89 -0.08 0.10 0.00 0.00 175.35 175.56 3kd9 s THR 338 N -3.53 0.00 0.00 3.79 -1.32 -0.50 -1.93 115.64 112.16 3kd9 s THR 338 Ca 0.16 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 3kd9 s THR 338 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 3kd9 s THR 338 CO 0.09 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 3kd9 n GLY 339 N 3.08 -2.12 3.77 6.08 0.00 -1.02 -0.77 105.19 114.20 3kd9 n GLY 339 Ca -0.16 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 3kd9 n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kd9 s LEU 340 N 0.00 3.52 0.20 0.99 1.43 0.91 -4.73 118.68 121.00 3kd9 s LEU 340 Ca 0.00 2.10 0.04 0.00 -1.03 0.00 0.00 54.13 55.24 3kd9 s LEU 340 Cb 0.00 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 3kd9 s LEU 340 CO 0.00 -1.54 0.31 0.28 0.23 0.00 0.00 176.35 175.63 3kd9 s THR 341 N -2.09 5.22 0.37 5.49 -1.32 -1.26 -3.83 115.64 118.22 3kd9 s THR 341 Ca 0.70 -0.89 0.10 0.00 -1.21 0.00 0.00 61.69 60.39 3kd9 s THR 341 Cb -0.23 -3.77 0.32 0.00 -1.51 0.00 0.00 72.50 67.31 3kd9 s THR 341 CO 0.37 -0.23 1.89 -0.08 -2.21 0.00 0.00 174.62 174.35 3kd9 h GLU 342 N 1.61 0.63 0.44 7.08 4.81 -1.96 0.19 114.58 127.38 3kd9 h GLU 342 Ca -0.50 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 3kd9 h GLU 342 Cb 1.22 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3kd9 h GLU 342 CO 0.64 0.42 -0.21 0.52 -0.73 0.00 0.00 179.01 179.65 3kd9 h MET 343 N 0.65 -0.56 -0.22 1.92 2.86 -1.97 -1.45 114.93 116.16 3kd9 h MET 343 Ca 0.42 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 58.13 3kd9 h MET 343 Cb 0.69 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 3kd9 h MET 343 CO -0.18 -0.35 0.00 0.93 1.06 0.00 0.00 176.91 178.38 3kd9 h GLU 344 N -0.64 0.07 -0.26 1.72 5.08 -1.72 0.75 114.58 119.59 3kd9 h GLU 344 Ca -0.06 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3kd9 h GLU 344 Cb 0.48 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 3kd9 h GLU 344 CO 0.10 0.05 -0.05 0.00 -1.00 0.00 0.00 179.01 178.10 3kd9 h ALA 345 N 1.18 0.18 -0.56 3.43 0.00 -0.55 0.74 119.26 123.69 3kd9 h ALA 345 Ca 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kd9 h ALA 345 Cb 0.12 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3kd9 h ALA 345 CO -0.17 -0.46 0.19 -0.07 0.00 0.00 0.00 179.25 178.74 3kd9 h LEU 346 N 0.01 0.75 -1.73 0.00 3.38 -1.05 -1.46 115.31 115.21 3kd9 h LEU 346 Ca 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kd9 h LEU 346 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kd9 h LEU 346 CO -0.26 0.70 -0.05 0.50 0.09 0.00 0.00 178.44 179.43 3kd9 h LYS 347 N 0.80 0.11 -0.29 1.13 1.63 0.45 -2.11 116.57 118.29 3kd9 h LYS 347 Ca 0.19 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 3kd9 h LYS 347 Cb 0.21 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3kd9 h LYS 347 CO -0.01 0.17 0.00 0.39 -3.45 0.00 0.00 179.45 176.54 3kd9 n GLU 348 N -4.42 1.81 -0.89 1.90 -0.58 0.13 -4.93 120.64 113.66 3kd9 n GLU 348 Ca -0.02 -1.24 0.00 0.00 -0.42 0.00 0.00 57.16 55.48 3kd9 n GLU 348 Cb 0.17 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 3kd9 n GLU 348 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kd9 n GLY 349 N 1.10 0.73 3.76 0.62 0.00 -0.79 -5.03 105.19 105.58 3kd9 n GLY 349 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3kd9 n GLY 349 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kd9 s TYR 350 N -2.80 2.65 -0.49 1.61 2.02 -1.05 -4.98 117.35 114.31 3kd9 s TYR 350 Ca 0.00 1.51 -0.21 0.00 -0.37 0.00 0.00 57.07 58.00 3kd9 s TYR 350 Cb 0.00 -3.44 0.04 0.00 -0.40 0.00 0.00 41.96 38.16 3kd9 s TYR 350 CO 0.00 -1.87 0.71 0.34 -1.57 0.00 0.00 175.55 173.16 3kd9 s ASP 351 N -1.43 6.29 0.17 2.29 -1.08 -1.26 -4.66 116.67 116.98 3kd9 s ASP 351 Ca 0.70 -0.57 0.11 0.00 -0.52 0.00 0.00 52.55 52.26 3kd9 s ASP 351 Cb -0.30 -2.34 -0.04 0.00 -1.46 0.00 0.00 42.92 38.79 3kd9 s ASP 351 CO 0.35 -0.93 -0.23 0.68 0.52 0.00 0.00 175.17 175.56 3kd9 s VAL 352 N 3.01 2.46 -0.02 1.11 -7.23 -1.26 0.19 120.40 118.65 3kd9 s VAL 352 Ca 0.21 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 3kd9 s VAL 352 Cb -0.16 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3kd9 s VAL 352 CO 0.16 -0.03 -0.07 0.00 -0.31 0.00 0.00 175.10 174.85 3kd9 s ARG 353 N -2.45 0.78 0.52 4.82 1.70 -1.03 -4.88 118.95 118.41 3kd9 s ARG 353 Ca 0.19 -0.23 0.01 0.00 -0.47 0.00 0.00 55.73 55.22 3kd9 s ARG 353 Cb -0.09 -0.75 -0.00 0.00 -0.57 0.00 0.00 34.95 33.53 3kd9 s ARG 353 CO 0.09 0.08 0.01 0.95 -1.08 0.00 0.00 175.30 175.36 3kd9 s THR 354 N 0.24 0.98 -0.25 4.99 -4.23 -1.26 -2.08 115.64 114.03 3kd9 s THR 354 Ca -0.03 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.22 3kd9 s THR 354 Cb -0.08 -2.05 0.09 0.00 1.34 0.00 0.00 72.50 71.80 3kd9 s THR 354 CO 0.00 0.00 0.83 0.00 -0.54 0.00 0.00 174.62 174.91 3kd9 s ALA 355 N -2.93 -1.85 -0.09 3.99 0.00 -1.10 -4.99 121.76 114.80 3kd9 s ALA 355 Ca 0.03 1.90 0.00 0.00 0.00 0.00 0.00 51.96 53.89 3kd9 s ALA 355 Cb 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 22.01 3kd9 s ALA 355 CO 0.02 -0.31 -0.07 0.12 0.00 0.00 0.00 175.76 175.52 3kd9 s PHE 356 N 0.12 1.28 0.18 0.00 5.36 -1.26 -1.38 117.98 122.29 3kd9 s PHE 356 Ca -0.00 -0.56 0.07 0.00 -0.96 0.00 0.00 56.93 55.48 3kd9 s PHE 356 Cb -0.04 -1.07 -0.04 0.00 -0.34 0.00 0.00 43.02 41.52 3kd9 s PHE 356 CO -0.00 -0.40 -0.14 0.96 -1.46 0.00 0.00 175.22 174.18 3kd9 s ILE 357 N 1.42 1.56 0.03 3.12 -4.36 -0.16 -4.99 121.20 117.82 3kd9 s ILE 357 Ca -0.01 -2.09 0.07 0.00 -0.26 0.00 0.00 60.65 58.36 3kd9 s ILE 357 Cb -0.13 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 3kd9 s ILE 357 CO -0.04 -0.59 -0.20 -0.75 0.24 0.00 0.00 174.94 173.60 3kd9 s LYS 358 N -3.48 2.05 0.35 0.37 2.20 -1.26 -1.62 119.74 118.36 3kd9 s LYS 358 Ca 0.19 -0.98 -0.10 0.00 -0.36 0.00 0.00 55.97 54.72 3kd9 s LYS 358 Cb -0.01 -2.15 0.03 0.00 -1.51 0.00 0.00 37.83 34.19 3kd9 s LYS 358 CO 0.05 0.54 0.63 0.00 -0.36 0.00 0.00 175.35 176.21 3kd9 s ALA 359 N -0.85 -0.09 0.09 3.13 0.00 0.41 -5.00 121.76 119.43 3kd9 s ALA 359 Ca 0.13 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.08 3kd9 s ALA 359 Cb -0.10 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 3kd9 s ALA 359 CO 0.04 -0.90 0.01 0.45 0.00 0.00 0.00 175.76 175.35 3kd9 s SER 360 N -3.13 5.07 0.00 0.00 0.15 -1.26 -0.77 113.70 113.76 3kd9 s SER 360 Ca 0.22 -0.16 0.28 0.00 0.70 0.00 0.00 55.95 56.99 3kd9 s SER 360 Cb -0.03 -1.22 1.10 0.00 -1.71 0.00 0.00 66.02 64.16 3kd9 s SER 360 CO 0.15 0.18 1.83 1.07 1.20 0.00 0.00 173.24 177.66 3kd9 n THR 361 N 0.58 0.00 -4.18 6.45 5.66 -0.08 -4.68 114.28 118.02 3kd9 n THR 361 Ca -0.11 -0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.75 3kd9 n THR 361 Cb 0.52 -0.34 -0.08 0.00 -1.55 0.00 0.00 70.33 68.88 3kd9 n THR 361 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3kd9 s ARG 362 N -2.98 1.55 0.49 1.09 3.00 -1.26 -4.20 118.95 116.64 3kd9 s ARG 362 Ca 0.14 -1.74 -0.22 0.00 0.00 0.00 0.00 55.73 53.91 3kd9 s ARG 362 Cb 0.19 0.34 -0.06 0.00 0.00 0.00 0.00 34.95 35.42 3kd9 s ARG 362 CO 0.56 -0.58 1.20 -2.14 0.00 0.00 0.00 175.30 174.35 3kd9 s PRO 363 N -3.70 3.54 -1.54 3.54 0.02 -1.26 -4.51 135.00 131.09 3kd9 s PRO 363 Ca 0.36 1.85 -0.09 0.00 0.02 0.00 0.00 61.00 63.14 3kd9 s PRO 363 Cb 0.03 -2.30 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 3kd9 s PRO 363 CO 0.18 -0.75 2.80 -2.39 -0.33 0.00 0.00 177.00 176.51 3kd9 n HIS 364 N -0.75 2.48 0.00 6.54 1.44 -1.26 -1.60 115.22 122.07 3kd9 n HIS 364 Ca 0.09 -3.02 0.00 0.00 -2.01 0.00 0.00 57.72 52.77 3kd9 n HIS 364 Cb 0.48 -2.32 0.00 0.00 0.12 0.00 0.00 29.99 28.27 3kd9 n HIS 364 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 3kd9 n TYR 365 N 3.10 0.00 -2.17 -1.40 0.18 -1.26 -5.12 117.16 110.49 3kd9 n TYR 365 Ca 0.74 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 60.13 3kd9 n TYR 365 Cb 0.24 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.18 3kd9 n TYR 365 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3kd9 s TYR 366 N -1.00 3.02 0.16 -3.48 5.04 -0.63 -5.00 117.35 115.46 3kd9 s TYR 366 Ca 0.00 1.48 -0.30 0.00 -2.44 0.00 0.00 57.07 55.81 3kd9 s TYR 366 Cb 0.00 -3.56 -0.07 0.00 0.35 0.00 0.00 41.96 38.67 3kd9 s TYR 366 CO 0.00 -1.68 0.98 -1.25 -1.34 0.00 0.00 175.55 172.26 3kd9 s PRO 367 N -2.06 4.72 0.00 4.97 0.04 -1.26 -3.83 135.00 137.58 3kd9 s PRO 367 Ca 0.54 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.09 3kd9 s PRO 367 Cb -0.36 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.85 3kd9 s PRO 367 CO 0.47 0.28 0.00 0.41 0.04 0.00 0.00 177.00 178.19 3kd9 n GLY 368 N 1.98 0.82 3.67 0.56 0.00 -1.26 -5.07 105.19 105.89 3kd9 n GLY 368 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3kd9 n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd9 n GLY 369 N -1.09 1.81 3.77 -0.02 0.00 -1.25 -4.91 105.19 103.50 3kd9 n GLY 369 Ca 0.00 0.78 -0.22 0.00 0.00 0.00 0.00 46.02 46.58 3kd9 n GLY 369 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kd9 s ARG 370 N 3.79 2.53 0.34 1.61 1.81 -1.26 -4.84 118.95 122.91 3kd9 s ARG 370 Ca 0.86 -1.42 -0.22 0.00 -1.72 0.00 0.00 55.73 53.23 3kd9 s ARG 370 Cb -0.45 -2.30 -0.10 0.00 -0.45 0.00 0.00 34.95 31.65 3kd9 s ARG 370 CO 0.40 0.14 0.88 -1.21 -0.68 0.00 0.00 175.30 174.84 3kd9 s GLU 371 N -3.88 4.36 -0.04 3.54 2.02 -1.26 -0.90 118.70 122.53 3kd9 s GLU 371 Ca 0.38 1.11 -0.02 0.00 0.02 0.00 0.00 54.97 56.46 3kd9 s GLU 371 Cb -0.04 -2.59 0.03 0.00 0.10 0.00 0.00 34.13 31.62 3kd9 s GLU 371 CO 0.24 0.20 0.09 -1.50 0.02 0.00 0.00 175.26 174.31 3kd9 s ILE 372 N -1.80 -0.04 -0.03 -1.63 2.07 0.05 -1.99 121.20 117.83 3kd9 s ILE 372 Ca 0.53 0.15 0.05 0.00 -1.41 0.00 0.00 60.65 59.97 3kd9 s ILE 372 Cb -0.15 -0.16 -0.03 0.00 0.13 0.00 0.00 42.46 42.26 3kd9 s ILE 372 CO 0.19 0.06 -0.17 0.26 -1.91 0.00 0.00 174.94 173.37 3kd9 s TRP 373 N 0.87 2.61 -0.03 3.50 0.51 0.82 -0.45 118.94 126.77 3kd9 s TRP 373 Ca -0.07 -0.23 0.02 0.00 -2.12 0.00 0.00 56.10 53.70 3kd9 s TRP 373 Cb -0.09 -1.58 0.01 0.00 -0.81 0.00 0.00 33.47 31.00 3kd9 s TRP 373 CO -0.04 0.16 -0.07 -0.51 -0.51 0.00 0.00 176.95 175.99 3kd9 s LEU 374 N -0.84 1.61 -0.12 2.99 1.02 -0.64 -1.33 118.68 121.38 3kd9 s LEU 374 Ca 0.12 -0.15 0.02 0.00 0.02 0.00 0.00 54.13 54.14 3kd9 s LEU 374 Cb -0.10 -0.47 -0.00 0.00 0.02 0.00 0.00 46.19 45.63 3kd9 s LEU 374 CO 0.01 0.01 -0.19 -0.75 0.02 0.00 0.00 176.35 175.45 3kd9 s LYS 375 N 0.48 3.19 0.00 1.70 2.47 -0.30 -0.98 119.74 126.29 3kd9 s LYS 375 Ca -0.07 -0.80 0.06 0.00 -1.56 0.00 0.00 55.97 53.61 3kd9 s LYS 375 Cb -0.11 -2.46 -0.02 0.00 -1.46 0.00 0.00 37.83 33.79 3kd9 s LYS 375 CO 0.00 0.17 -0.20 0.20 0.16 0.00 0.00 175.35 175.68 3kd9 s GLY 376 N 0.42 1.01 -0.01 5.54 0.00 -0.48 -1.30 107.32 112.50 3kd9 s GLY 376 Ca -0.14 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.71 3kd9 s GLY 376 CO 0.06 -0.78 -0.10 0.14 0.00 0.00 0.00 173.10 172.42 3kd9 s VAL 377 N -0.56 3.39 -0.02 1.40 1.01 -0.23 -2.71 120.40 122.67 3kd9 s VAL 377 Ca 0.08 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 3kd9 s VAL 377 Cb -0.08 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3kd9 s VAL 377 CO -0.00 0.45 0.11 -0.69 0.00 0.00 0.00 175.10 174.96 3kd9 s VAL 378 N -0.91 0.04 -0.45 2.92 1.01 -0.88 -1.27 120.40 120.85 3kd9 s VAL 378 Ca 0.15 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 3kd9 s VAL 378 Cb -0.11 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.04 3kd9 s VAL 378 CO 0.05 -0.18 1.06 -0.62 0.00 0.00 0.00 175.10 175.42 3kd9 s ASP 379 N -0.56 6.63 0.36 3.32 -1.08 -0.45 -2.47 116.67 122.43 3kd9 s ASP 379 Ca -0.06 0.45 0.26 0.00 -0.52 0.00 0.00 52.55 52.67 3kd9 s ASP 379 Cb -0.04 -2.52 1.31 0.00 -1.46 0.00 0.00 42.92 40.21 3kd9 s ASP 379 CO 0.00 -1.13 1.78 -1.13 0.52 0.00 0.00 175.17 175.21 3kd9 h ASN 380 N 9.01 0.00 0.25 -0.34 -0.73 -0.59 0.46 115.58 123.64 3kd9 h ASN 380 Ca -0.23 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.63 3kd9 h ASN 380 Cb 1.07 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.60 3kd9 h ASN 380 CO 1.08 0.00 -2.03 -0.62 -0.37 0.00 0.00 177.43 175.49 3kd9 n GLU 381 N -2.40 0.66 -0.00 6.67 1.02 -1.26 -4.47 120.64 120.85 3kd9 n GLU 381 Ca -0.01 0.13 0.04 0.00 -0.02 0.00 0.00 57.16 57.30 3kd9 n GLU 381 Cb 0.09 -1.65 -0.05 0.00 -0.02 0.00 0.00 31.44 29.81 3kd9 n GLU 381 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kd9 n THR 382 N -2.87 0.00 -1.31 2.62 -2.24 -1.08 -4.97 114.28 104.43 3kd9 n THR 382 Ca -0.24 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 3kd9 n THR 382 Cb 1.08 0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 70.06 3kd9 n THR 382 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kd9 n ASN 383 N -1.37 -4.89 -4.76 3.42 4.13 0.16 -4.92 115.26 107.03 3kd9 n ASN 383 Ca 0.01 0.27 -0.39 0.00 1.68 0.00 0.00 54.58 56.14 3kd9 n ASN 383 Cb 0.16 -3.35 -0.05 0.00 -1.54 0.00 0.00 39.78 34.99 3kd9 n ASN 383 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3kd9 s ARG 384 N -2.76 4.42 0.10 3.52 3.52 -1.24 -0.31 118.95 126.21 3kd9 s ARG 384 Ca 0.00 0.93 -0.31 0.00 -0.13 0.00 0.00 55.73 56.22 3kd9 s ARG 384 Cb 0.00 -3.34 -0.08 0.00 -1.56 0.00 0.00 34.95 29.97 3kd9 s ARG 384 CO 0.00 0.35 1.46 -1.17 -0.81 0.00 0.00 175.30 175.14 3kd9 s LEU 385 N -0.24 4.36 -0.08 -0.88 2.96 -0.69 -1.34 118.68 122.77 3kd9 s LEU 385 Ca 0.35 2.38 0.17 0.00 -0.22 0.00 0.00 54.13 56.81 3kd9 s LEU 385 Cb -0.20 -3.58 -0.26 0.00 0.50 0.00 0.00 46.19 42.65 3kd9 s LEU 385 CO 0.21 -0.73 0.27 0.18 -1.32 0.00 0.00 176.35 174.96 3kd9 n LEU 386 N 4.38 0.00 -3.62 -0.68 4.77 -0.40 -4.87 117.00 116.58 3kd9 n LEU 386 Ca 0.13 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.08 3kd9 n LEU 386 Cb 0.41 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 3kd9 n LEU 386 CO 0.60 0.17 1.10 -0.83 -1.33 0.00 0.00 177.39 177.10 3kd9 s GLY 387 N -4.51 -0.19 -0.05 -0.72 0.00 -1.21 -0.06 107.32 100.59 3kd9 s GLY 387 Ca -0.07 1.96 -0.02 0.00 0.00 0.00 0.00 44.72 46.59 3kd9 s GLY 387 CO 0.74 0.69 0.09 0.14 0.00 0.00 0.00 173.10 174.76 3kd9 s VAL 388 N -1.98 -0.09 -0.14 1.40 1.01 0.05 -1.07 120.40 119.58 3kd9 s VAL 388 Ca 0.10 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3kd9 s VAL 388 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 3kd9 s VAL 388 CO -0.04 0.11 -0.14 -1.10 0.00 0.00 0.00 175.10 173.93 3kd9 s GLN 389 N 1.42 3.32 -0.01 2.72 -0.21 -0.42 -1.41 119.66 125.08 3kd9 s GLN 389 Ca -0.05 -0.71 0.06 0.00 0.02 0.00 0.00 55.36 54.68 3kd9 s GLN 389 Cb -0.12 -2.63 -0.02 0.00 1.00 0.00 0.00 33.01 31.24 3kd9 s GLN 389 CO -0.04 0.14 -0.20 0.08 -2.12 0.00 0.00 175.29 173.15 3kd9 s VAL 390 N 0.52 1.59 -0.02 1.09 1.01 0.21 -1.15 120.40 123.66 3kd9 s VAL 390 Ca -0.09 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 3kd9 s VAL 390 Cb -0.16 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3kd9 s VAL 390 CO 0.04 0.44 0.06 0.54 0.00 0.00 0.00 175.10 176.18 3kd9 s VAL 391 N -0.48 0.03 0.00 2.92 0.11 -0.44 0.63 120.40 123.17 3kd9 s VAL 391 Ca 0.08 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 3kd9 s VAL 391 Cb -0.08 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 3kd9 s VAL 391 CO -0.01 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.25 3kd9 n GLY 392 N 2.63 0.34 3.42 6.54 0.00 0.13 -0.12 105.19 118.12 3kd9 n GLY 392 Ca -0.15 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 3kd9 n GLY 392 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kd9 s SER 393 N -4.00 3.45 -1.26 1.61 0.15 -0.84 0.56 113.70 113.37 3kd9 s SER 393 Ca 0.00 -0.78 -0.02 0.00 0.70 0.00 0.00 55.95 55.85 3kd9 s SER 393 Cb 0.00 -0.28 -0.01 0.00 -1.71 0.00 0.00 66.02 64.02 3kd9 s SER 393 CO 0.00 0.15 0.77 -0.67 1.20 0.00 0.00 173.24 174.69 3kd9 n ASP 394 N 0.58 -1.92 -0.00 5.45 2.03 -1.26 -4.70 116.55 116.73 3kd9 n ASP 394 Ca -0.15 -0.79 -0.12 0.00 0.52 0.00 0.00 54.79 54.25 3kd9 n ASP 394 Cb 0.54 -4.28 -0.10 0.00 -0.72 0.00 0.00 41.12 36.57 3kd9 n ASP 394 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3kd9 h ILE 395 N -1.82 1.28 -0.84 5.18 1.08 -1.93 -3.39 117.51 117.06 3kd9 h ILE 395 Ca -0.61 -1.43 0.14 0.00 -0.39 0.00 0.00 64.86 62.57 3kd9 h ILE 395 Cb 1.35 2.18 -0.14 0.00 -3.07 0.00 0.00 36.82 37.14 3kd9 h ILE 395 CO 0.54 0.34 -0.30 -0.11 -0.69 0.00 0.00 178.15 177.93 3kd9 n LEU 396 N -4.82 -0.48 -0.27 1.44 7.94 -1.26 -0.96 117.00 118.59 3kd9 n LEU 396 Ca -0.08 1.46 0.09 0.00 -1.11 0.00 0.00 56.01 56.37 3kd9 n LEU 396 Cb 0.31 -0.36 0.33 0.00 0.53 0.00 0.00 43.42 44.23 3kd9 n LEU 396 CO 0.30 -1.34 1.23 -0.65 -1.11 0.00 0.00 177.39 175.82 3kd9 h PRO 397 N 0.00 0.78 0.01 1.96 0.11 -2.00 -1.64 132.00 131.23 3kd9 h PRO 397 Ca 0.32 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 3kd9 h PRO 397 Cb 0.53 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3kd9 h PRO 397 CO -0.84 0.51 -0.01 0.00 -0.21 0.00 0.00 178.00 177.45 3kd9 h ARG 398 N 0.80 -0.02 0.00 1.05 -0.00 -1.29 -2.61 114.38 112.31 3kd9 h ARG 398 Ca 0.42 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.82 3kd9 h ARG 398 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.48 3kd9 h ARG 398 CO -0.18 0.64 -0.39 -0.84 0.00 0.00 0.00 179.97 179.20 3kd9 h ILE 399 N -0.71 1.07 -0.20 2.04 -0.00 -1.42 0.06 117.51 118.35 3kd9 h ILE 399 Ca -0.00 -1.43 -0.21 0.00 -0.00 0.00 0.00 64.86 63.22 3kd9 h ILE 399 Cb 0.67 1.82 0.01 0.00 -0.00 0.00 0.00 36.82 39.32 3kd9 h ILE 399 CO 0.00 0.38 -0.69 0.44 -0.00 0.00 0.00 178.15 178.29 3kd9 h ASP 400 N 0.00 0.91 -0.21 2.16 5.19 -1.39 -0.21 116.42 122.88 3kd9 h ASP 400 Ca -0.00 -0.55 -0.05 0.00 -0.62 0.00 0.00 57.03 55.80 3kd9 h ASP 400 Cb 0.79 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 3kd9 h ASP 400 CO 0.05 1.35 -0.07 0.74 -3.12 0.00 0.00 179.24 178.19 3kd9 h THR 401 N 0.56 1.29 -0.16 0.35 2.02 -1.27 -2.74 112.91 112.97 3kd9 h THR 401 Ca -0.03 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 3kd9 h THR 401 Cb 1.30 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 3kd9 h THR 401 CO 0.14 0.33 0.01 0.00 0.37 0.00 0.00 175.52 176.37 3kd9 h ALA 402 N 0.73 1.73 -0.27 6.16 0.00 -0.95 -1.75 119.26 124.90 3kd9 h ALA 402 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kd9 h ALA 402 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kd9 h ALA 402 CO 0.02 0.21 0.15 0.00 0.00 0.00 0.00 179.25 179.63 3kd9 h ALA 403 N 1.80 0.35 -0.71 0.00 0.00 -0.77 0.12 119.26 120.05 3kd9 h ALA 403 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3kd9 h ALA 403 Cb 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kd9 h ALA 403 CO 0.00 -0.11 0.25 0.00 0.00 0.00 0.00 179.25 179.39 3kd9 h ALA 404 N 1.02 0.93 -0.45 0.00 0.00 -1.13 0.20 119.26 119.83 3kd9 h ALA 404 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kd9 h ALA 404 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3kd9 h ALA 404 CO -0.01 0.59 0.22 0.52 0.00 0.00 0.00 179.25 180.56 3kd9 h MET 405 N 1.04 0.64 -0.58 0.00 2.86 -0.98 -1.85 114.93 116.06 3kd9 h MET 405 Ca 0.23 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.69 3kd9 h MET 405 Cb 0.27 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3kd9 h MET 405 CO -0.01 0.54 0.00 -0.07 1.06 0.00 0.00 176.91 178.43 3kd9 h LEU 406 N 0.58 0.98 -2.06 1.22 4.07 -0.51 -1.85 115.31 117.74 3kd9 h LEU 406 Ca 0.16 -0.27 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 3kd9 h LEU 406 Cb 0.10 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.58 3kd9 h LEU 406 CO -0.02 1.03 -0.07 -0.03 -1.08 0.00 0.00 178.44 178.26 3kd9 h MET 407 N 0.92 0.00 -0.02 1.13 4.05 -0.22 -2.83 114.93 117.96 3kd9 h MET 407 Ca 0.17 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3kd9 h MET 407 Cb 0.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 3kd9 h MET 407 CO 0.03 0.07 -0.18 0.00 0.23 0.00 0.00 176.91 177.06 3kd9 n ALA 408 N -2.22 2.86 -2.71 0.39 0.00 -0.73 -4.99 120.51 113.11 3kd9 n ALA 408 Ca -0.02 -0.62 -0.05 0.00 0.00 0.00 0.00 53.44 52.76 3kd9 n ALA 408 Cb 0.21 -0.65 0.02 0.00 0.00 0.00 0.00 19.45 19.03 3kd9 n ALA 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kd9 n GLY 409 N 1.16 0.63 3.77 0.00 0.00 -0.93 -5.02 105.19 104.81 3kd9 n GLY 409 Ca 0.10 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 3kd9 n GLY 409 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kd9 s PHE 410 N -3.04 3.20 0.60 1.61 0.40 -0.74 -4.93 117.98 115.09 3kd9 s PHE 410 Ca 0.12 1.61 0.02 0.00 -0.60 0.00 0.00 56.93 58.08 3kd9 s PHE 410 Cb -0.05 -3.25 0.07 0.00 0.51 0.00 0.00 43.02 40.30 3kd9 s PHE 410 CO 0.15 -0.91 0.83 0.95 0.70 0.00 0.00 175.22 176.94 3kd9 s THR 411 N -1.52 2.47 0.44 0.64 -4.23 -1.26 -1.71 115.64 110.46 3kd9 s THR 411 Ca 0.57 -0.70 0.09 0.00 -1.18 0.00 0.00 61.69 60.48 3kd9 s THR 411 Cb -0.26 -2.77 0.27 0.00 1.34 0.00 0.00 72.50 71.08 3kd9 s THR 411 CO 0.33 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.49 3kd9 h THR 412 N -0.07 1.07 0.09 3.99 1.03 -1.01 -1.32 112.91 116.69 3kd9 h THR 412 Ca -0.39 -0.14 -0.29 0.00 -0.01 0.00 0.00 66.41 65.58 3kd9 h THR 412 Cb 1.29 0.61 0.03 0.00 -1.07 0.00 0.00 68.15 69.00 3kd9 h THR 412 CO 0.47 0.08 -1.18 0.50 -0.01 0.00 0.00 175.52 175.38 3kd9 h LYS 413 N 0.42 0.64 -0.90 0.00 3.64 -1.88 -2.64 116.57 115.85 3kd9 h LYS 413 Ca 0.12 -0.81 0.02 0.00 -1.27 0.00 0.00 60.65 58.72 3kd9 h LYS 413 Cb -0.02 0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 3kd9 h LYS 413 CO -0.03 1.36 0.59 -0.44 -2.27 0.00 0.00 179.45 178.66 3kd9 h ASP 414 N 0.29 1.00 -0.55 4.20 3.32 -1.69 -2.39 116.42 120.59 3kd9 h ASP 414 Ca -0.17 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 3kd9 h ASP 414 Cb 1.85 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 41.14 3kd9 h ASP 414 CO 0.23 0.70 -0.00 0.00 -1.72 0.00 0.00 179.24 178.45 3kd9 h ALA 415 N 1.35 0.74 -0.73 3.45 0.00 -1.32 -3.07 119.26 119.69 3kd9 h ALA 415 Ca 0.34 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3kd9 h ALA 415 Cb -0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 3kd9 h ALA 415 CO -0.09 0.57 0.41 0.35 0.00 0.00 0.00 179.25 180.48 3kd9 h PHE 416 N 0.86 0.74 -0.36 0.00 3.57 -1.05 -2.82 116.94 117.87 3kd9 h PHE 416 Ca 0.16 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3kd9 h PHE 416 Cb 0.54 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3kd9 h PHE 416 CO 0.04 0.33 0.00 1.19 -2.23 0.00 0.00 178.31 177.64 3kd9 n PHE 417 N -4.78 0.67 -2.55 0.41 3.72 -1.03 -4.91 117.46 108.99 3kd9 n PHE 417 Ca 0.10 -0.29 -0.41 0.00 -0.05 0.00 0.00 57.45 56.80 3kd9 n PHE 417 Cb 0.22 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3kd9 n PHE 417 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3kd9 s THR 418 N -1.61 4.09 -1.19 4.37 2.01 -1.07 -4.92 115.64 117.33 3kd9 s THR 418 Ca 0.26 1.70 -0.20 0.00 0.31 0.00 0.00 61.69 63.76 3kd9 s THR 418 Cb 0.16 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 3kd9 s THR 418 CO 0.15 0.24 1.91 -0.67 -0.69 0.00 0.00 174.62 175.56 3kd9 n ASP 419 N 2.86 3.68 -4.83 3.53 -0.08 -1.26 -4.96 116.55 115.49 3kd9 n ASP 419 Ca 0.04 -2.79 -0.33 0.00 -1.51 0.00 0.00 54.79 50.21 3kd9 n ASP 419 Cb 0.47 -1.62 -0.06 0.00 2.34 0.00 0.00 41.12 42.25 3kd9 n ASP 419 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3kd9 s LEU 420 N 5.82 3.87 0.60 -2.67 1.43 -1.26 -5.04 118.68 121.44 3kd9 s LEU 420 Ca 0.59 1.65 -0.16 0.00 -1.03 0.00 0.00 54.13 55.17 3kd9 s LEU 420 Cb 0.06 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 3kd9 s LEU 420 CO 0.08 -0.40 1.09 0.00 0.23 0.00 0.00 176.35 177.35 3kd9 s ALA 421 N -2.27 2.64 -0.17 4.21 0.00 -1.26 -5.04 121.76 119.87 3kd9 s ALA 421 Ca 0.61 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 3kd9 s ALA 421 Cb -0.09 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.78 3kd9 s ALA 421 CO 0.17 -0.95 0.43 -0.47 0.00 0.00 0.00 175.76 174.94 3kd9 s TYR 422 N -2.25 -0.51 -0.27 0.00 5.04 -1.26 -4.84 117.35 113.25 3kd9 s TYR 422 Ca 0.67 1.20 -0.26 0.00 -2.44 0.00 0.00 57.07 56.24 3kd9 s TYR 422 Cb -0.19 0.19 0.16 0.00 0.35 0.00 0.00 41.96 42.47 3kd9 s TYR 422 CO 0.36 -0.26 1.22 0.00 -1.34 0.00 0.00 175.55 175.53 3kd9 s ALA 423 N 0.52 -2.08 0.39 3.97 0.00 -1.26 -5.02 121.76 118.29 3kd9 s ALA 423 Ca -0.02 1.76 0.15 0.00 0.00 0.00 0.00 51.96 53.85 3kd9 s ALA 423 Cb -0.04 -1.47 1.01 0.00 0.00 0.00 0.00 23.12 22.63 3kd9 s ALA 423 CO -0.03 -0.20 1.83 -1.35 0.00 0.00 0.00 175.76 176.01 3kd9 h PRO 424 N 3.27 0.47 0.00 0.00 0.11 -1.98 -1.38 132.00 132.47 3kd9 h PRO 424 Ca -0.24 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 3kd9 h PRO 424 Cb 1.18 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kd9 h PRO 424 CO 0.18 0.31 -0.07 -1.35 -0.21 0.00 0.00 178.00 176.86 3kd9 h PRO 425 N 0.48 0.00 0.00 1.05 0.11 -1.98 -3.37 132.00 128.29 3kd9 h PRO 425 Ca 0.51 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.25 3kd9 h PRO 425 Cb 1.16 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 3kd9 h PRO 425 CO -0.23 0.07 -2.41 1.19 -0.21 0.00 0.00 178.00 176.41 3kd9 n PHE 426 N -3.19 0.00 -3.78 0.65 3.72 -0.57 -5.06 117.46 109.23 3kd9 n PHE 426 Ca 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 3kd9 n PHE 426 Cb 0.37 -0.95 -0.00 0.00 -0.94 0.00 0.00 39.48 37.95 3kd9 n PHE 426 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kd9 s ALA 427 N -2.50 -1.67 0.63 4.37 0.00 -0.89 -4.87 121.76 116.82 3kd9 s ALA 427 Ca -0.33 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 3kd9 s ALA 427 Cb 0.09 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.87 3kd9 s ALA 427 CO 0.57 -1.05 0.96 -1.25 0.00 0.00 0.00 175.76 174.99 3kd9 s PRO 428 N -2.87 2.87 0.14 0.00 0.04 -1.26 -4.23 135.00 129.69 3kd9 s PRO 428 Ca 0.15 0.11 -0.26 0.00 0.04 0.00 0.00 61.00 61.04 3kd9 s PRO 428 Cb -0.01 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 3kd9 s PRO 428 CO 0.03 -0.81 1.60 0.28 0.04 0.00 0.00 177.00 178.14 3kd9 h VAL 429 N -0.32 0.25 -3.59 -0.36 2.07 -1.94 -3.30 116.25 109.06 3kd9 h VAL 429 Ca -0.45 0.00 -0.63 0.00 0.82 0.00 0.00 66.70 66.43 3kd9 h VAL 429 Cb 1.26 0.25 -0.13 0.00 -1.52 0.00 0.00 31.29 31.14 3kd9 h VAL 429 CO 0.61 0.00 0.25 0.26 0.02 0.00 0.00 177.57 178.71 3kd9 s TRP 430 N -5.98 3.06 0.63 1.57 0.52 -1.26 -4.93 118.94 112.55 3kd9 s TRP 430 Ca -0.15 0.19 -0.18 0.00 0.02 0.00 0.00 56.10 55.98 3kd9 s TRP 430 Cb 0.11 -3.43 -0.02 0.00 -1.15 0.00 0.00 33.47 28.99 3kd9 s TRP 430 CO 0.66 -0.84 1.27 0.34 0.02 0.00 0.00 176.95 178.40 3kd9 s ASP 431 N 1.99 4.75 0.62 2.95 2.15 -1.24 -4.74 116.67 123.15 3kd9 s ASP 431 Ca 0.27 2.56 0.39 0.00 0.43 0.00 0.00 52.55 56.20 3kd9 s ASP 431 Cb -0.13 -2.61 2.04 0.00 -0.30 0.00 0.00 42.92 41.92 3kd9 s ASP 431 CO 0.19 -1.90 2.25 -0.65 -0.17 0.00 0.00 175.17 174.89 3kd9 h PRO 432 N 0.63 0.00 0.01 4.34 0.11 -1.90 0.14 132.00 135.34 3kd9 h PRO 432 Ca -0.51 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.36 3kd9 h PRO 432 Cb 1.33 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.45 3kd9 h PRO 432 CO 0.54 0.02 -1.01 1.25 -0.21 0.00 0.00 178.00 178.59 3kd9 h LEU 433 N 0.00 0.67 -0.73 2.35 5.85 -1.97 -2.13 115.31 119.36 3kd9 h LEU 433 Ca -0.00 -0.55 -0.14 0.00 0.84 0.00 0.00 57.88 58.03 3kd9 h LEU 433 Cb 0.14 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3kd9 h LEU 433 CO 0.00 1.35 -0.59 0.40 -0.34 0.00 0.00 178.44 179.27 3kd9 h ILE 434 N 0.28 1.40 -0.29 4.05 5.03 -1.38 -2.17 117.51 124.43 3kd9 h ILE 434 Ca -0.10 -1.97 -0.02 0.00 -0.12 0.00 0.00 64.86 62.64 3kd9 h ILE 434 Cb 1.65 2.02 -0.01 0.00 -3.03 0.00 0.00 36.82 37.45 3kd9 h ILE 434 CO 0.18 0.58 0.08 0.58 -0.68 0.00 0.00 178.15 178.89 3kd9 h VAL 435 N 0.12 1.21 -0.50 1.67 2.07 -0.72 -0.25 116.25 119.84 3kd9 h VAL 435 Ca -0.00 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3kd9 h VAL 435 Cb 1.07 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3kd9 h VAL 435 CO 0.09 0.22 0.27 0.25 0.02 0.00 0.00 177.57 178.42 3kd9 h LEU 436 N 0.30 0.41 -0.39 2.57 5.85 -1.24 -0.71 115.31 122.11 3kd9 h LEU 436 Ca 0.09 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3kd9 h LEU 436 Cb 0.26 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3kd9 h LEU 436 CO -0.00 0.29 0.20 0.00 -0.34 0.00 0.00 178.44 178.59 3kd9 h ALA 437 N 1.25 0.48 -0.36 1.25 0.00 -1.10 0.13 119.26 120.92 3kd9 h ALA 437 Ca 0.21 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3kd9 h ALA 437 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3kd9 h ALA 437 CO -0.13 -0.15 0.19 -0.09 0.00 0.00 0.00 179.25 179.07 3kd9 h ARG 438 N 0.41 0.38 -0.43 0.00 9.65 -0.57 0.50 114.38 124.32 3kd9 h ARG 438 Ca 0.16 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.92 3kd9 h ARG 438 Cb 0.05 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 3kd9 h ARG 438 CO -0.10 0.25 -0.13 0.28 2.80 0.00 0.00 179.97 183.06 3kd9 h VAL 439 N 0.39 1.26 -0.33 0.20 2.07 -0.73 -1.77 116.25 117.34 3kd9 h VAL 439 Ca 0.15 -1.21 -0.10 0.00 0.82 0.00 0.00 66.70 66.36 3kd9 h VAL 439 Cb 0.04 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3kd9 h VAL 439 CO -0.09 0.41 -0.18 -0.07 0.02 0.00 0.00 177.57 177.66 3kd9 h LEU 440 N 0.71 0.72 0.16 2.57 -0.00 -0.21 -1.88 115.31 117.39 3kd9 h LEU 440 Ca 0.12 -0.41 -0.00 0.00 -0.00 0.00 0.00 57.88 57.58 3kd9 h LEU 440 Cb 0.62 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.08 3kd9 h LEU 440 CO 0.04 0.98 -0.10 0.50 -0.00 0.00 0.00 178.44 179.86 3kd9 h LYS 441 N 0.47 -0.25 0.00 1.13 3.64 0.15 -1.66 116.57 120.05 3kd9 h LYS 441 Ca 0.07 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3kd9 h LYS 441 Cb 0.71 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3kd9 h LYS 441 CO 0.05 -0.17 0.00 0.39 -2.27 0.00 0.00 179.45 177.45 3kd9 n GLU 442 N -5.22 0.28 0.00 1.90 1.02 -0.68 -5.05 120.64 112.90 3kd9 n GLU 442 Ca -0.08 0.09 0.10 0.00 -0.02 0.00 0.00 57.16 57.25 3kd9 n GLU 442 Cb 0.14 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 30.62 3kd9 n GLU 442 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72