#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kb9 s VAL 17 N 0.00 3.30 0.28 0.00 1.01 -1.26 -4.95 120.40 118.79 3kb9 s VAL 17 Ca 0.00 1.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 3kb9 s VAL 17 Cb 0.00 -3.69 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 3kb9 s VAL 17 CO 0.00 0.17 1.14 -2.65 0.00 0.00 0.00 175.10 173.76 3kb9 n PRO 18 N 2.54 1.59 -0.30 2.72 -0.02 -1.26 -4.64 135.00 135.64 3kb9 n PRO 18 Ca 0.05 0.56 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 3kb9 n PRO 18 Cb 0.43 -2.03 0.37 0.00 -0.02 0.00 0.00 33.50 32.25 3kb9 n PRO 18 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kb9 h PRO 19 N 2.57 0.69 0.00 0.52 0.11 -1.95 0.87 132.00 134.80 3kb9 h PRO 19 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kb9 h PRO 19 Cb 1.32 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kb9 h PRO 19 CO 0.64 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 179.54 3kb9 h SER 20 N 0.71 0.00 0.00 -2.05 4.64 -2.03 -2.93 113.55 111.88 3kb9 h SER 20 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3kb9 h SER 20 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3kb9 h SER 20 CO -0.25 0.00 -0.25 0.18 -0.87 0.00 0.00 176.83 175.63 3kb9 n LEU 21 N -2.43 0.18 -4.75 5.97 4.77 0.18 -4.97 117.00 115.95 3kb9 n LEU 21 Ca -0.00 -0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 55.10 3kb9 n LEU 21 Cb 0.14 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3kb9 n LEU 21 CO 0.17 0.04 0.82 -0.60 -1.33 0.00 0.00 177.39 176.49 3kb9 s ARG 22 N -1.43 4.59 -0.40 3.23 3.52 -0.49 -4.95 118.95 123.01 3kb9 s ARG 22 Ca 0.01 1.82 0.02 0.00 -0.13 0.00 0.00 55.73 57.44 3kb9 s ARG 22 Cb 0.03 -3.22 0.12 0.00 -1.56 0.00 0.00 34.95 30.33 3kb9 s ARG 22 CO 0.16 0.10 0.18 -0.51 -0.81 0.00 0.00 175.30 174.43 3kb9 s LEU 23 N -0.96 2.81 0.52 -0.88 1.43 -1.26 -5.00 118.68 115.34 3kb9 s LEU 23 Ca 0.47 -2.33 0.19 0.00 -1.03 0.00 0.00 54.13 51.43 3kb9 s LEU 23 Cb -0.32 -1.06 1.32 0.00 0.03 0.00 0.00 46.19 46.16 3kb9 s LEU 23 CO 0.39 -0.32 2.11 -0.65 0.23 0.00 0.00 176.35 178.11 3kb9 h PRO 24 N 7.17 0.00 -0.60 1.29 0.11 -1.99 -1.27 132.00 136.71 3kb9 h PRO 24 Ca -0.05 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 3kb9 h PRO 24 Cb 0.96 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 3kb9 h PRO 24 CO 0.49 0.00 0.13 0.28 -0.21 0.00 0.00 178.00 178.69 3kb9 h VAL 25 N 0.00 1.25 -0.66 3.15 2.07 -1.98 -0.12 116.25 119.96 3kb9 h VAL 25 Ca 0.07 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 3kb9 h VAL 25 Cb 0.28 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3kb9 h VAL 25 CO -0.00 0.35 0.21 0.40 0.02 0.00 0.00 177.57 178.54 3kb9 h ILE 26 N 0.89 1.25 -0.57 4.57 1.08 -1.64 0.96 117.51 124.05 3kb9 h ILE 26 Ca 0.19 -0.86 -0.07 0.00 -0.39 0.00 0.00 64.86 63.72 3kb9 h ILE 26 Cb 0.37 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 3kb9 h ILE 26 CO 0.00 0.33 0.06 -0.33 -0.69 0.00 0.00 178.15 177.53 3kb9 h GLU 27 N 0.96 0.93 0.12 2.37 5.08 -0.90 -2.39 114.58 120.74 3kb9 h GLU 27 Ca 0.21 -0.24 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 3kb9 h GLU 27 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3kb9 h GLU 27 CO -0.01 0.88 -1.83 0.00 -1.00 0.00 0.00 179.01 177.06 3kb9 h ALA 28 N 1.19 0.36 -0.01 3.43 0.00 -0.99 -3.42 119.26 119.82 3kb9 h ALA 28 Ca 0.17 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.77 3kb9 h ALA 28 Cb 0.43 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kb9 h ALA 28 CO 0.01 1.16 -0.40 0.00 0.00 0.00 0.00 179.25 180.03 3kb9 n ALA 29 N -3.04 3.32 -3.44 0.00 0.00 0.33 -4.60 120.51 113.07 3kb9 n ALA 29 Ca -0.31 -0.54 -0.26 0.00 0.00 0.00 0.00 53.44 52.33 3kb9 n ALA 29 Cb 0.99 -0.59 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 3kb9 n ALA 29 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kb9 n PHE 30 N -0.26 2.25 -1.83 0.00 3.72 -0.90 -5.01 117.46 115.44 3kb9 n PHE 30 Ca 0.06 -3.97 -0.41 0.00 -0.05 0.00 0.00 57.45 53.08 3kb9 n PHE 30 Cb 0.34 -0.45 -0.01 0.00 -0.94 0.00 0.00 39.48 38.42 3kb9 n PHE 30 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3kb9 s PRO 31 N -1.80 4.14 0.51 -1.08 0.04 -1.26 -4.65 135.00 130.89 3kb9 s PRO 31 Ca 0.36 2.54 -0.22 0.00 0.04 0.00 0.00 61.00 63.72 3kb9 s PRO 31 Cb 0.12 -3.00 -0.06 0.00 0.04 0.00 0.00 34.50 31.60 3kb9 s PRO 31 CO -0.08 -0.53 1.23 1.03 0.04 0.00 0.00 177.00 178.70 3kb9 s ARG 32 N -1.58 3.44 0.10 4.56 0.52 -1.26 -4.98 118.95 119.74 3kb9 s ARG 32 Ca 0.55 1.92 0.06 0.00 -0.52 0.00 0.00 55.73 57.75 3kb9 s ARG 32 Cb -0.46 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 3kb9 s ARG 32 CO 0.58 -0.86 -0.17 -0.65 0.02 0.00 0.00 175.30 174.22 3kb9 s GLN 33 N -2.87 0.98 -0.06 3.54 -0.21 -1.26 -5.14 119.66 114.63 3kb9 s GLN 33 Ca 0.68 -1.10 0.00 0.00 0.02 0.00 0.00 55.36 54.96 3kb9 s GLN 33 Cb -0.32 -1.06 0.02 0.00 1.00 0.00 0.00 33.01 32.65 3kb9 s GLN 33 CO 0.38 0.23 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.58 3kb9 s LEU 34 N -1.98 1.05 0.35 2.90 2.96 -1.26 -4.20 118.68 118.50 3kb9 s LEU 34 Ca 0.04 -0.13 -0.28 0.00 -0.22 0.00 0.00 54.13 53.54 3kb9 s LEU 34 Cb -0.09 -0.50 -0.10 0.00 0.50 0.00 0.00 46.19 46.01 3kb9 s LEU 34 CO 0.03 -0.11 1.31 -2.28 -1.32 0.00 0.00 176.35 173.98 3kb9 s HIS 35 N 1.38 2.97 -0.10 5.38 5.65 -0.16 -4.91 115.29 125.50 3kb9 s HIS 35 Ca -0.04 1.41 0.29 0.00 0.25 0.00 0.00 55.06 56.97 3kb9 s HIS 35 Cb -0.13 -3.69 1.33 0.00 -1.18 0.00 0.00 32.58 28.91 3kb9 s HIS 35 CO -0.03 -1.95 1.88 -1.00 -0.65 0.00 0.00 174.74 172.99 3kb9 h PRO 36 N 3.16 0.00 0.00 2.88 0.13 -1.99 -1.98 132.00 134.21 3kb9 h PRO 36 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3kb9 h PRO 36 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3kb9 h PRO 36 CO 0.65 0.00 0.00 0.98 -0.23 0.00 0.00 178.00 179.40 3kb9 n TYR 37 N -2.62 0.00 -0.21 1.56 9.36 -1.26 -4.40 117.16 119.58 3kb9 n TYR 37 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 3kb9 n TYR 37 Cb 0.20 -0.25 0.12 0.00 -0.63 0.00 0.00 39.34 38.78 3kb9 n TYR 37 CO 0.00 0.00 0.00 2.35 0.22 0.00 0.00 176.86 179.43 3kb9 h TRP 38 N 0.00 0.35 -0.90 2.98 7.01 -1.73 0.41 115.95 124.07 3kb9 h TRP 38 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 3kb9 h TRP 38 Cb 0.22 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 3kb9 h TRP 38 CO 0.00 0.05 0.51 -1.35 -2.79 0.00 0.00 178.44 174.86 3kb9 h PRO 39 N 0.37 1.25 -0.45 2.65 0.11 -1.85 0.25 132.00 134.32 3kb9 h PRO 39 Ca 0.33 -0.14 -0.10 0.00 0.11 0.00 0.00 66.00 66.20 3kb9 h PRO 39 Cb 0.44 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3kb9 h PRO 39 CO -0.35 0.90 -0.11 -0.22 -0.21 0.00 0.00 178.00 178.01 3kb9 h LYS 40 N 1.25 0.88 -0.53 1.05 1.63 -1.60 -3.11 116.57 116.14 3kb9 h LYS 40 Ca 0.32 -0.34 0.08 0.00 -0.85 0.00 0.00 60.65 59.86 3kb9 h LYS 40 Cb 0.01 -0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.52 3kb9 h LYS 40 CO -0.05 0.98 0.17 1.25 -3.45 0.00 0.00 179.45 178.34 3kb9 h LEU 41 N 0.72 0.13 -0.33 5.20 5.85 -0.08 0.35 115.31 127.15 3kb9 h LEU 41 Ca 0.11 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3kb9 h LEU 41 Cb 0.66 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 3kb9 h LEU 41 CO 0.05 0.10 0.05 -0.61 -0.34 0.00 0.00 178.44 177.68 3kb9 h GLN 42 N 0.33 0.15 -0.37 1.25 4.15 -0.92 -0.31 115.11 119.38 3kb9 h GLN 42 Ca 0.26 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.59 3kb9 h GLN 42 Cb 0.32 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 3kb9 h GLN 42 CO -0.29 0.10 -0.11 1.49 -1.93 0.00 0.00 178.83 178.09 3kb9 h GLU 43 N 0.16 0.73 -0.43 1.69 4.57 -1.40 -2.64 114.58 117.26 3kb9 h GLU 43 Ca 0.16 -0.29 -0.14 0.00 -1.18 0.00 0.00 59.36 57.91 3kb9 h GLU 43 Cb 0.18 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3kb9 h GLU 43 CO -0.22 0.89 -0.29 1.15 -1.18 0.00 0.00 179.01 179.36 3kb9 h THR 44 N 0.53 1.27 -0.31 0.32 2.02 -0.60 -1.22 112.91 114.91 3kb9 h THR 44 Ca 0.09 -1.46 -0.16 0.00 0.77 0.00 0.00 66.41 65.66 3kb9 h THR 44 Cb 0.63 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3kb9 h THR 44 CO 0.04 0.49 -0.44 0.74 0.37 0.00 0.00 175.52 176.72 3kb9 h THR 45 N 0.80 1.28 -0.37 3.16 2.02 -1.12 -0.92 112.91 117.76 3kb9 h THR 45 Ca 0.09 -1.63 0.04 0.00 0.77 0.00 0.00 66.41 65.68 3kb9 h THR 45 Cb 0.87 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.75 3kb9 h THR 45 CO 0.08 0.53 0.15 -0.09 0.37 0.00 0.00 175.52 176.55 3kb9 h ARG 46 N 0.64 0.30 -0.83 6.66 2.43 -1.33 -0.28 114.38 121.97 3kb9 h ARG 46 Ca 0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3kb9 h ARG 46 Cb 1.01 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.46 3kb9 h ARG 46 CO 0.10 0.20 0.49 1.15 -1.51 0.00 0.00 179.97 180.40 3kb9 h THR 47 N 0.31 1.23 -0.39 0.20 2.02 -1.06 -2.06 112.91 113.16 3kb9 h THR 47 Ca 0.16 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.73 3kb9 h THR 47 Cb 0.12 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3kb9 h THR 47 CO -0.15 0.24 -0.16 -0.25 0.37 0.00 0.00 175.52 175.57 3kb9 h TRP 48 N 1.14 0.92 -0.69 3.16 7.01 -0.59 0.65 115.95 127.56 3kb9 h TRP 48 Ca 0.30 -0.22 0.05 0.00 2.11 0.00 0.00 58.89 61.13 3kb9 h TRP 48 Cb -0.04 -0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 26.75 3kb9 h TRP 48 CO 0.00 0.96 0.40 -0.07 -2.79 0.00 0.00 178.44 176.95 3kb9 h LEU 49 N 0.61 0.62 0.36 0.65 3.38 -0.70 0.87 115.31 121.11 3kb9 h LEU 49 Ca 0.09 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kb9 h LEU 49 Cb 0.71 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kb9 h LEU 49 CO 0.05 0.41 -0.17 -0.07 0.09 0.00 0.00 178.44 178.75 3kb9 h LEU 50 N 0.76 -0.41 -1.29 1.67 3.38 -1.18 -0.48 115.31 117.76 3kb9 h LEU 50 Ca 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3kb9 h LEU 50 Cb 0.13 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3kb9 h LEU 50 CO -0.16 -0.22 0.46 -0.33 0.09 0.00 0.00 178.44 178.28 3kb9 h GLU 51 N -0.58 0.94 -0.01 1.13 5.08 -0.54 -1.02 114.58 119.58 3kb9 h GLU 51 Ca -0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3kb9 h GLU 51 Cb 0.43 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3kb9 h GLU 51 CO 0.08 0.63 -0.04 1.63 -1.00 0.00 0.00 179.01 180.31 3kb9 n LYS 52 N -4.42 1.33 -3.70 2.33 4.76 0.27 -4.93 118.16 113.80 3kb9 n LYS 52 Ca 0.07 -0.62 -0.25 0.00 -2.87 0.00 0.00 58.31 54.64 3kb9 n LYS 52 Cb 0.04 -1.49 0.06 0.00 -1.84 0.00 0.00 35.03 31.80 3kb9 n LYS 52 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kb9 n ARG 53 N -0.29 -6.92 0.18 1.97 1.74 -0.39 -4.82 116.66 108.13 3kb9 n ARG 53 Ca 0.19 0.74 0.10 0.00 -0.77 0.00 0.00 57.85 58.11 3kb9 n ARG 53 Cb 0.29 -5.72 0.10 0.00 -1.02 0.00 0.00 32.46 26.11 3kb9 n ARG 53 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3kb9 h LEU 54 N -2.41 0.00 -7.92 0.55 3.38 -1.36 -3.45 115.31 104.10 3kb9 h LEU 54 Ca -0.58 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.24 3kb9 h LEU 54 Cb 1.37 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.92 3kb9 h LEU 54 CO 0.59 0.12 -0.63 -0.04 0.09 0.00 0.00 178.44 178.58 3kb9 s MET 55 N -3.18 0.39 0.59 1.13 -1.94 -1.25 -5.04 119.30 110.01 3kb9 s MET 55 Ca 0.05 -0.59 -0.20 0.00 -1.71 0.00 0.00 55.69 53.24 3kb9 s MET 55 Cb 0.06 0.15 -0.04 0.00 2.01 0.00 0.00 34.83 37.02 3kb9 s MET 55 CO 0.71 -0.08 1.24 -2.30 -0.01 0.00 0.00 175.02 174.58 3kb9 n PRO 56 N 1.43 1.29 -0.25 2.03 -0.02 -1.26 -4.74 135.00 133.47 3kb9 n PRO 56 Ca -0.23 0.49 0.03 0.00 -2.02 0.00 0.00 63.50 61.77 3kb9 n PRO 56 Cb 0.56 -2.45 0.16 0.00 -0.02 0.00 0.00 33.50 31.74 3kb9 n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kb9 h ALA 57 N 0.88 1.03 0.00 3.55 0.00 -1.97 -0.23 119.26 122.52 3kb9 h ALA 57 Ca -0.50 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3kb9 h ALA 57 Cb 1.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3kb9 h ALA 57 CO 0.54 -0.09 -0.41 0.38 0.00 0.00 0.00 179.25 179.66 3kb9 h ASP 58 N 0.56 0.00 0.69 0.00 2.03 -1.99 -0.75 116.42 116.96 3kb9 h ASP 58 Ca 0.38 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.41 3kb9 h ASP 58 Cb 0.46 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.96 3kb9 h ASP 58 CO -0.31 0.41 -1.23 0.11 -1.03 0.00 0.00 179.24 177.19 3kb9 h LYS 59 N 0.00 0.20 -0.31 4.15 1.57 -1.73 -1.67 116.57 118.79 3kb9 h LYS 59 Ca -0.00 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.44 3kb9 h LYS 59 Cb 0.74 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3kb9 h LYS 59 CO 0.05 1.14 0.20 0.28 -0.57 0.00 0.00 179.45 180.55 3kb9 h VAL 60 N 0.06 1.07 -0.63 0.50 2.07 -0.82 0.11 116.25 118.60 3kb9 h VAL 60 Ca -0.12 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3kb9 h VAL 60 Cb 1.93 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 3kb9 h VAL 60 CO 0.18 0.07 0.34 -0.08 0.02 0.00 0.00 177.57 178.10 3kb9 h GLU 61 N 0.40 0.88 0.08 1.57 4.57 -1.12 -1.66 114.58 119.30 3kb9 h GLU 61 Ca 0.11 -0.11 -0.26 0.00 -1.18 0.00 0.00 59.36 57.93 3kb9 h GLU 61 Cb -0.03 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.39 3kb9 h GLU 61 CO -0.03 0.67 -1.12 1.49 -1.18 0.00 0.00 179.01 178.84 3kb9 h GLU 62 N 0.85 0.37 0.00 1.92 4.81 -1.22 -3.43 114.58 117.88 3kb9 h GLU 62 Ca 0.22 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3kb9 h GLU 62 Cb 0.06 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3kb9 h GLU 62 CO -0.03 1.19 -0.98 0.66 -0.73 0.00 0.00 179.01 179.11 3kb9 n TYR 63 N -3.65 0.00 0.13 0.92 4.01 0.36 -4.78 117.16 114.14 3kb9 n TYR 63 Ca -0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.53 3kb9 n TYR 63 Cb 0.94 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.91 3kb9 n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kb9 h ALA 64 N 0.00 -0.33 -0.86 -0.72 0.00 -1.31 -1.68 119.26 114.36 3kb9 h ALA 64 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kb9 h ALA 64 Cb 0.67 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3kb9 h ALA 64 CO 0.00 -0.71 0.55 -0.44 0.00 0.00 0.00 179.25 178.65 3kb9 h ASP 65 N -0.36 1.01 0.66 0.00 3.32 -1.89 -1.86 116.42 117.29 3kb9 h ASP 65 Ca 0.01 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3kb9 h ASP 65 Cb 0.35 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3kb9 h ASP 65 CO -0.05 0.75 -0.00 1.23 -1.72 0.00 0.00 179.24 179.45 3kb9 h GLY 66 N 1.18 0.00 2.00 2.75 0.00 -1.69 -2.09 103.07 105.23 3kb9 h GLY 66 Ca 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 3kb9 h GLY 66 CO -0.06 0.00 -0.17 1.41 0.00 0.00 0.00 176.54 177.72 3kb9 h LEU 67 N 0.00 0.00 1.65 3.11 3.38 -0.45 0.16 115.31 123.16 3kb9 h LEU 67 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3kb9 h LEU 67 Cb 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 3kb9 h LEU 67 CO 0.00 0.17 -0.38 0.00 0.09 0.00 0.00 178.44 178.32 3kb9 h TYR 69 N 0.00 0.81 -0.17 0.00 0.05 -1.85 -1.61 116.97 114.20 3kb9 h TYR 69 Ca -0.38 -0.14 -0.16 0.00 0.05 0.00 0.00 58.73 58.11 3kb9 h TYR 69 Cb 1.21 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 3kb9 h TYR 69 CO 0.46 0.81 -0.55 1.79 -1.05 0.00 0.00 178.16 179.62 3kb9 h THR 70 N 0.68 1.33 -0.77 -2.88 1.35 -1.90 -3.02 112.91 107.70 3kb9 h THR 70 Ca 0.12 -1.80 -0.01 0.00 -0.55 0.00 0.00 66.41 64.17 3kb9 h THR 70 Cb 0.56 1.79 -0.04 0.00 -1.73 0.00 0.00 68.15 68.73 3kb9 h THR 70 CO 0.03 0.56 0.45 0.44 -0.25 0.00 0.00 175.52 176.75 3kb9 h ASP 71 N 0.39 0.94 -0.35 5.36 3.45 -1.85 0.02 116.42 124.37 3kb9 h ASP 71 Ca 0.01 -0.07 0.04 0.00 0.43 0.00 0.00 57.03 57.44 3kb9 h ASP 71 Cb 1.08 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 39.58 3kb9 h ASP 71 CO 0.10 0.74 0.12 0.25 -1.57 0.00 0.00 179.24 178.87 3kb9 h LEU 72 N 1.06 0.12 -0.40 1.55 5.85 -1.23 -0.75 115.31 121.50 3kb9 h LEU 72 Ca 0.27 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.85 3kb9 h LEU 72 Cb -0.02 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3kb9 h LEU 72 CO -0.05 0.10 -0.77 0.24 -0.34 0.00 0.00 178.44 177.62 3kb9 h MET 73 N 0.26 0.27 0.00 1.25 2.86 -1.34 -3.05 114.93 115.18 3kb9 h MET 73 Ca 0.16 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3kb9 h MET 73 Cb 0.14 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3kb9 h MET 73 CO -0.17 0.91 0.00 0.00 1.06 0.00 0.00 176.91 178.71 3kb9 h ALA 74 N 1.01 1.00 -0.01 6.32 0.00 -0.68 -1.56 119.26 125.34 3kb9 h ALA 74 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kb9 h ALA 74 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3kb9 h ALA 74 CO 0.12 0.00 -0.10 0.41 0.00 0.00 0.00 179.25 179.69 3kb9 n GLY 75 N 0.20 -0.44 0.53 0.00 0.00 -0.32 -0.99 105.19 104.17 3kb9 n GLY 75 Ca 0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 3kb9 n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kb9 n TYR 76 N -0.38 0.00 -1.90 1.61 9.36 -0.66 -4.47 117.16 120.72 3kb9 n TYR 76 Ca 0.17 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.98 3kb9 n TYR 76 Cb 0.32 -0.17 -0.01 0.00 -0.63 0.00 0.00 39.34 38.85 3kb9 n TYR 76 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3kb9 n TYR 77 N -3.48 2.63 -1.80 2.98 4.01 -0.79 -4.65 117.16 116.05 3kb9 n TYR 77 Ca -0.05 -2.87 -0.39 0.00 -0.16 0.00 0.00 57.90 54.43 3kb9 n TYR 77 Cb 0.18 -1.99 0.03 0.00 -0.31 0.00 0.00 39.34 37.25 3kb9 n TYR 77 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kb9 s LEU 78 N -1.38 3.98 0.00 7.72 2.01 -1.26 -2.09 118.68 127.66 3kb9 s LEU 78 Ca 0.55 2.83 0.00 0.00 0.01 0.00 0.00 54.13 57.52 3kb9 s LEU 78 Cb 0.17 -4.10 0.00 0.00 0.01 0.00 0.00 46.19 42.27 3kb9 s LEU 78 CO -0.08 -1.36 0.00 0.61 1.01 0.00 0.00 176.35 176.53 3kb9 n GLY 79 N 0.65 2.47 3.77 -3.19 0.00 -1.26 -4.92 105.19 102.70 3kb9 n GLY 79 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3kb9 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kb9 s ALA 80 N -2.94 3.25 0.54 4.61 0.00 -0.89 -4.82 121.76 121.51 3kb9 s ALA 80 Ca 0.00 1.49 -0.21 0.00 0.00 0.00 0.00 51.96 53.23 3kb9 s ALA 80 Cb 0.00 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 3kb9 s ALA 80 CO 0.00 -1.22 1.20 -2.30 0.00 0.00 0.00 175.76 173.44 3kb9 n PRO 81 N -0.20 1.42 -0.21 0.00 -0.02 -1.26 -4.74 135.00 130.00 3kb9 n PRO 81 Ca 0.05 0.53 0.01 0.00 -2.02 0.00 0.00 63.50 62.07 3kb9 n PRO 81 Cb 0.42 -2.38 0.12 0.00 -0.02 0.00 0.00 33.50 31.63 3kb9 n PRO 81 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kb9 h ASP 82 N 1.19 0.00 -0.33 2.55 3.32 -1.99 -0.35 116.42 120.81 3kb9 h ASP 82 Ca -0.49 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 3kb9 h ASP 82 Cb 1.33 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 41.02 3kb9 h ASP 82 CO 0.55 0.00 0.10 -0.08 -1.72 0.00 0.00 179.24 178.10 3kb9 h GLU 83 N 0.26 0.59 -0.15 3.56 4.81 -1.99 0.04 114.58 121.70 3kb9 h GLU 83 Ca 0.33 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 3kb9 h GLU 83 Cb 0.50 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3kb9 h GLU 83 CO -0.42 0.54 -0.19 0.28 -0.73 0.00 0.00 179.01 178.49 3kb9 h VAL 84 N 0.58 1.36 -0.87 0.32 2.07 -1.57 -2.41 116.25 115.72 3kb9 h VAL 84 Ca 0.14 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.27 3kb9 h VAL 84 Cb 0.21 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3kb9 h VAL 84 CO -0.00 0.41 0.58 0.25 0.02 0.00 0.00 177.57 178.82 3kb9 h LEU 85 N 0.00 1.00 -0.68 2.57 5.85 -0.78 -0.66 115.31 122.62 3kb9 h LEU 85 Ca 0.02 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kb9 h LEU 85 Cb 0.75 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3kb9 h LEU 85 CO 0.05 0.73 0.37 -0.61 -0.34 0.00 0.00 178.44 178.64 3kb9 h GLN 86 N 1.18 0.96 -0.43 1.25 5.75 -0.94 0.16 115.11 123.04 3kb9 h GLN 86 Ca 0.32 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.62 3kb9 h GLN 86 Cb -0.13 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.22 3kb9 h GLN 86 CO -0.07 0.72 -0.06 0.00 -2.65 0.00 0.00 178.83 176.77 3kb9 h ALA 87 N 1.18 0.59 -0.62 3.38 0.00 -0.96 -1.07 119.26 121.76 3kb9 h ALA 87 Ca 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kb9 h ALA 87 Cb 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3kb9 h ALA 87 CO -0.04 0.43 0.35 0.82 0.00 0.00 0.00 179.25 180.81 3kb9 h ILE 88 N 0.63 1.19 -0.33 0.00 2.04 -0.91 -0.47 117.51 119.66 3kb9 h ILE 88 Ca 0.11 -0.48 -0.13 0.00 1.00 0.00 0.00 64.86 65.37 3kb9 h ILE 88 Cb 0.57 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3kb9 h ILE 88 CO 0.03 0.21 -0.33 0.00 0.00 0.00 0.00 178.15 178.06 3kb9 h ALA 89 N 1.17 0.79 -0.29 1.87 0.00 -0.45 0.11 119.26 122.46 3kb9 h ALA 89 Ca 0.22 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3kb9 h ALA 89 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kb9 h ALA 89 CO -0.04 0.65 -0.12 -0.44 0.00 0.00 0.00 179.25 179.30 3kb9 h ASP 90 N 0.62 0.61 -0.87 0.00 3.32 -1.08 -0.26 116.42 118.76 3kb9 h ASP 90 Ca 0.07 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 56.72 3kb9 h ASP 90 Cb 0.86 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 3kb9 h ASP 90 CO 0.08 0.87 0.57 0.22 -1.72 0.00 0.00 179.24 179.26 3kb9 h TYR 91 N 0.34 1.09 -0.36 4.55 3.20 -0.84 -0.13 116.97 124.82 3kb9 h TYR 91 Ca 0.07 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 3kb9 h TYR 91 Cb 0.63 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3kb9 h TYR 91 CO 0.06 0.69 -0.05 0.77 -1.64 0.00 0.00 178.16 177.99 3kb9 h SER 92 N 1.18 0.67 -0.59 -2.11 0.02 -0.49 0.30 113.55 112.52 3kb9 h SER 92 Ca 0.32 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3kb9 h SER 92 Cb -0.14 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 3kb9 h SER 92 CO -0.07 0.85 0.39 0.00 -1.14 0.00 0.00 176.83 176.87 3kb9 h ALA 93 N 0.84 0.75 -0.60 3.77 0.00 -0.82 -1.38 119.26 121.83 3kb9 h ALA 93 Ca 0.10 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3kb9 h ALA 93 Cb 0.54 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3kb9 h ALA 93 CO 0.03 0.18 0.14 2.35 0.00 0.00 0.00 179.25 181.95 3kb9 h TRP 94 N 0.80 0.23 -0.76 0.00 7.01 -0.74 -1.84 115.95 120.66 3kb9 h TRP 94 Ca 0.22 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 3kb9 h TRP 94 Cb -0.09 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 26.93 3kb9 h TRP 94 CO -0.03 -0.01 0.34 0.35 -2.79 0.00 0.00 178.44 176.29 3kb9 h PHE 95 N 0.28 1.12 -0.54 2.65 -0.00 -0.15 0.20 116.94 120.50 3kb9 h PHE 95 Ca 0.31 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.97 58.21 3kb9 h PHE 95 Cb 0.45 -0.34 -0.03 0.00 -0.00 0.00 0.00 35.95 36.03 3kb9 h PHE 95 CO -0.23 0.83 0.33 0.74 -0.00 0.00 0.00 178.31 179.98 3kb9 h PHE 96 N 1.08 0.71 0.00 0.41 -1.00 -0.74 -0.47 116.94 116.93 3kb9 h PHE 96 Ca 0.26 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.94 3kb9 h PHE 96 Cb 0.16 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 3kb9 h PHE 96 CO 0.01 0.49 -0.46 -0.39 -1.61 0.00 0.00 178.31 176.35 3kb9 h VAL 97 N 0.73 1.18 -0.52 -0.55 -1.51 -0.52 -1.40 116.25 113.65 3kb9 h VAL 97 Ca 0.19 -1.66 -0.05 0.00 -1.23 0.00 0.00 66.70 63.96 3kb9 h VAL 97 Cb -0.02 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 3kb9 h VAL 97 CO -0.04 0.45 0.14 -0.25 -1.23 0.00 0.00 177.57 176.64 3kb9 h TRP 98 N 0.00 0.87 -0.93 5.19 7.01 -0.27 0.11 115.95 127.94 3kb9 h TRP 98 Ca -0.00 -0.10 0.08 0.00 2.11 0.00 0.00 58.89 60.98 3kb9 h TRP 98 Cb 0.89 -0.25 -0.07 0.00 -2.10 0.00 0.00 29.16 27.64 3kb9 h TRP 98 CO 0.00 0.76 0.58 0.22 -2.79 0.00 0.00 178.44 177.21 3kb9 h ASP 99 N 0.73 0.89 -0.50 2.65 3.58 -0.60 0.20 116.42 123.37 3kb9 h ASP 99 Ca 0.17 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.57 3kb9 h ASP 99 Cb 0.32 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3kb9 h ASP 99 CO -0.00 0.54 0.05 0.44 -2.88 0.00 0.00 179.24 177.39 3kb9 h ASP 100 N 1.01 0.83 -0.31 2.28 3.32 -0.75 -1.43 116.42 121.37 3kb9 h ASP 100 Ca 0.42 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 3kb9 h ASP 100 Cb 0.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3kb9 h ASP 100 CO -0.20 0.90 0.06 -0.09 -1.72 0.00 0.00 179.24 178.18 3kb9 h ARG 101 N 0.72 0.50 -0.52 3.56 9.65 -0.10 -1.10 114.38 127.09 3kb9 h ARG 101 Ca 0.15 -0.13 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 3kb9 h ARG 101 Cb 0.45 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.92 3kb9 h ARG 101 CO 0.02 0.59 0.24 1.25 2.80 0.00 0.00 179.97 184.87 3kb9 h HIS 102 N 0.33 0.44 -0.31 2.20 2.76 -0.94 0.15 115.15 119.78 3kb9 h HIS 102 Ca 0.09 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3kb9 h HIS 102 Cb 0.33 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 3kb9 h HIS 102 CO 0.02 0.19 0.19 0.22 -1.30 0.00 0.00 177.93 177.25 3kb9 h ASP 103 N 0.47 0.38 -0.30 3.26 3.58 -0.95 -1.37 116.42 121.48 3kb9 h ASP 103 Ca 0.24 -0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.53 3kb9 h ASP 103 Cb 0.19 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 3kb9 h ASP 103 CO -0.19 0.32 -0.19 0.03 -2.88 0.00 0.00 179.24 176.33 3kb9 h ARG 104 N 0.40 0.76 -0.74 0.28 2.47 -0.76 -0.40 114.38 116.38 3kb9 h ARG 104 Ca 0.11 -0.29 -0.05 0.00 -1.26 0.00 0.00 59.98 58.50 3kb9 h ARG 104 Cb 0.02 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 3kb9 h ARG 104 CO -0.02 0.89 0.28 -0.44 0.56 0.00 0.00 179.97 181.24 3kb9 h ASP 105 N 0.67 1.03 -0.09 7.04 3.32 -0.41 -0.45 116.42 127.53 3kb9 h ASP 105 Ca 0.10 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3kb9 h ASP 105 Cb 0.68 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3kb9 h ASP 105 CO 0.05 0.92 -0.02 0.40 -1.72 0.00 0.00 179.24 178.87 3kb9 h ILE 106 N 1.08 1.29 -0.72 0.35 2.04 -0.86 0.11 117.51 120.81 3kb9 h ILE 106 Ca 0.25 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 3kb9 h ILE 106 Cb 0.22 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 3kb9 h ILE 106 CO -0.02 0.27 0.44 0.58 0.00 0.00 0.00 178.15 179.42 3kb9 h VAL 107 N -0.17 1.20 -0.21 1.67 2.07 -0.83 -1.87 116.25 118.11 3kb9 h VAL 107 Ca 0.02 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3kb9 h VAL 107 Cb 0.43 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3kb9 h VAL 107 CO 0.01 0.21 0.00 1.41 0.02 0.00 0.00 177.57 179.21 3kb9 n HIS 108 N -4.40 0.27 -2.28 1.57 8.25 -0.20 -4.96 115.22 113.48 3kb9 n HIS 108 Ca 0.07 -0.14 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 3kb9 n HIS 108 Cb 0.06 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 3kb9 n HIS 108 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kb9 n GLY 109 N 1.22 -0.20 2.74 -1.41 0.00 -0.55 -4.91 105.19 102.07 3kb9 n GLY 109 Ca 0.17 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3kb9 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kb9 n ARG 110 N -2.35 3.82 -0.32 1.61 1.74 0.29 -4.74 116.66 116.71 3kb9 n ARG 110 Ca -0.16 -3.40 -0.04 0.00 -0.77 0.00 0.00 57.85 53.47 3kb9 n ARG 110 Cb 0.62 -2.87 0.08 0.00 -1.02 0.00 0.00 32.46 29.28 3kb9 n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kb9 h ALA 111 N 5.44 1.12 -0.20 7.54 0.00 -1.91 -1.38 119.26 129.87 3kb9 h ALA 111 Ca 0.50 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3kb9 h ALA 111 Cb 0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kb9 h ALA 111 CO 1.62 0.66 -0.01 0.78 0.00 0.00 0.00 179.25 182.30 3kb9 h GLY 112 N 1.23 0.39 1.27 0.00 0.00 -1.99 -0.94 103.07 103.05 3kb9 h GLY 112 Ca 0.30 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 3kb9 h GLY 112 CO -0.04 0.27 0.19 0.00 0.00 0.00 0.00 176.54 176.95 3kb9 h ALA 113 N 0.78 1.19 -0.27 3.60 0.00 -1.92 -0.85 119.26 121.80 3kb9 h ALA 113 Ca 0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3kb9 h ALA 113 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kb9 h ALA 113 CO 0.01 0.57 -0.08 2.35 0.00 0.00 0.00 179.25 182.10 3kb9 h TRP 114 N 0.89 0.60 -0.93 0.00 2.91 -1.17 -1.55 115.95 116.70 3kb9 h TRP 114 Ca 0.20 -0.13 0.04 0.00 1.13 0.00 0.00 58.89 60.13 3kb9 h TRP 114 Cb 0.26 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 28.71 3kb9 h TRP 114 CO 0.02 0.75 0.61 -0.09 -1.03 0.00 0.00 178.44 178.69 3kb9 h ARG 115 N 0.27 1.11 -0.29 2.65 2.43 -0.81 0.74 114.38 120.48 3kb9 h ARG 115 Ca 0.06 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 3kb9 h ARG 115 Cb 0.57 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3kb9 h ARG 115 CO 0.03 0.73 -0.40 0.00 -1.51 0.00 0.00 179.97 178.82 3kb9 h ARG 116 N 1.14 0.79 -0.33 0.20 3.08 -1.02 -1.82 114.38 116.40 3kb9 h ARG 116 Ca 0.38 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3kb9 h ARG 116 Cb 0.06 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3kb9 h ARG 116 CO -0.12 1.09 0.18 1.25 -1.07 0.00 0.00 179.97 181.29 3kb9 h LEU 117 N 0.55 0.42 -0.55 3.04 5.85 -0.86 -0.89 115.31 122.87 3kb9 h LEU 117 Ca 0.03 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.75 3kb9 h LEU 117 Cb 0.99 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 3kb9 h LEU 117 CO 0.09 0.41 0.12 -0.09 -0.34 0.00 0.00 178.44 178.63 3kb9 h ARG 118 N 0.41 0.26 -0.50 1.25 2.43 -0.74 0.91 114.38 118.40 3kb9 h ARG 118 Ca 0.12 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 3kb9 h ARG 118 Cb 0.08 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3kb9 h ARG 118 CO -0.02 0.17 -0.14 0.78 -1.51 0.00 0.00 179.97 179.25 3kb9 h GLY 119 N 0.27 1.04 1.41 2.80 0.00 -0.97 -2.42 103.07 105.19 3kb9 h GLY 119 Ca 0.28 -0.85 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 3kb9 h GLY 119 CO -0.35 0.78 -0.05 1.41 0.00 0.00 0.00 176.54 178.33 3kb9 h LEU 120 N 0.85 0.69 -0.47 3.11 3.38 -0.45 -2.14 115.31 120.28 3kb9 h LEU 120 Ca 0.13 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3kb9 h LEU 120 Cb 0.69 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3kb9 h LEU 120 CO 0.05 0.79 -0.23 -0.07 0.09 0.00 0.00 178.44 179.07 3kb9 h LEU 121 N 0.67 1.02 -0.38 1.67 3.38 -0.69 0.12 115.31 121.10 3kb9 h LEU 121 Ca 0.13 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3kb9 h LEU 121 Cb 0.48 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3kb9 h LEU 121 CO 0.02 1.20 0.25 0.45 0.09 0.00 0.00 178.44 180.45 3kb9 h HIS 122 N 0.84 0.49 -0.34 1.13 3.86 -1.25 0.04 115.15 119.92 3kb9 h HIS 122 Ca 0.11 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 3kb9 h HIS 122 Cb 0.81 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 3kb9 h HIS 122 CO 0.05 0.31 0.05 1.15 0.86 0.00 0.00 177.93 180.35 3kb9 h THR 123 N 0.52 1.24 -0.46 2.45 2.02 -1.17 -3.09 112.91 114.42 3kb9 h THR 123 Ca 0.14 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 3kb9 h THR 123 Cb -0.06 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3kb9 h THR 123 CO -0.03 0.28 0.05 0.00 0.37 0.00 0.00 175.52 176.19 3kb9 h ALA 124 N 0.89 1.23 -0.49 6.16 0.00 -0.60 -1.41 119.26 125.04 3kb9 h ALA 124 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kb9 h ALA 124 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kb9 h ALA 124 CO 0.01 0.52 0.26 1.25 0.00 0.00 0.00 179.25 181.29 3kb9 h LEU 125 N 0.69 0.60 0.00 0.00 5.85 -0.93 -1.67 115.31 119.85 3kb9 h LEU 125 Ca 0.15 -0.04 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 3kb9 h LEU 125 Cb 0.35 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3kb9 h LEU 125 CO 0.01 0.49 -1.07 0.44 -0.34 0.00 0.00 178.44 177.97 3kb9 h ASP 126 N 0.68 0.00 -2.29 1.25 3.32 -1.33 -3.40 116.42 114.66 3kb9 h ASP 126 Ca 0.18 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.64 3kb9 h ASP 126 Cb 0.03 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.19 3kb9 h ASP 126 CO -0.03 0.78 -0.93 -1.20 -1.72 0.00 0.00 179.24 176.14 3kb9 n SER 127 N -3.17 0.69 0.03 6.45 7.64 -0.59 -5.01 113.62 119.66 3kb9 n SER 127 Ca -0.04 -2.72 -0.16 0.00 1.01 0.00 0.00 58.87 56.95 3kb9 n SER 127 Cb 0.89 -0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 63.40 3kb9 n SER 127 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kb9 h PRO 128 N 4.80 0.62 -0.61 1.43 0.13 -1.55 -3.02 132.00 133.79 3kb9 h PRO 128 Ca 0.17 -0.59 0.16 0.00 -0.87 0.00 0.00 66.00 64.88 3kb9 h PRO 128 Cb 0.85 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 3kb9 h PRO 128 CO 0.50 1.20 0.43 0.78 -0.23 0.00 0.00 178.00 180.68 3kb9 h GLY 129 N 0.79 0.14 2.00 1.56 0.00 -1.87 0.12 103.07 105.81 3kb9 h GLY 129 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3kb9 h GLY 129 CO 0.17 0.01 0.00 1.22 0.00 0.00 0.00 176.54 177.94 3kb9 n ASP 130 N -4.39 0.60 -0.23 0.19 10.43 -1.14 -3.24 116.55 118.77 3kb9 n ASP 130 Ca 0.11 0.68 0.02 0.00 2.57 0.00 0.00 54.79 58.18 3kb9 n ASP 130 Cb 0.62 -0.79 0.06 0.00 1.84 0.00 0.00 41.12 42.85 3kb9 n ASP 130 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 3kb9 n HIS 131 N -2.20 0.17 0.33 1.24 8.25 0.39 -4.74 115.22 118.67 3kb9 n HIS 131 Ca 0.01 -0.53 0.21 0.00 -0.26 0.00 0.00 57.72 57.16 3kb9 n HIS 131 Cb 0.17 -0.05 1.13 0.00 1.12 0.00 0.00 29.99 32.36 3kb9 n HIS 131 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kb9 h LEU 132 N 0.70 0.00 -3.36 2.41 3.38 -1.52 -2.31 115.31 114.62 3kb9 h LEU 132 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3kb9 h LEU 132 Cb 0.61 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.15 3kb9 h LEU 132 CO 0.00 0.00 -0.76 1.41 0.09 0.00 0.00 178.44 179.19 3kb9 n HIS 133 N -3.19 0.57 -1.88 1.13 8.25 -1.26 -4.82 115.22 114.03 3kb9 n HIS 133 Ca -0.03 -1.41 -0.36 0.00 -0.26 0.00 0.00 57.72 55.66 3kb9 n HIS 133 Cb 0.10 -0.24 0.05 0.00 1.12 0.00 0.00 29.99 31.02 3kb9 n HIS 133 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kb9 s HIS 134 N -2.47 2.24 0.47 4.41 2.46 -0.87 -4.91 115.29 116.63 3kb9 s HIS 134 Ca 0.38 1.50 0.14 0.00 0.47 0.00 0.00 55.06 57.54 3kb9 s HIS 134 Cb 0.38 -3.59 1.10 0.00 -0.13 0.00 0.00 32.58 30.33 3kb9 s HIS 134 CO -0.08 -2.57 2.08 1.05 -2.47 0.00 0.00 174.74 172.74 3kb9 h GLU 135 N 0.75 0.10 -5.97 2.88 4.11 -1.98 -3.38 114.58 111.09 3kb9 h GLU 135 Ca -0.51 -0.01 -0.61 0.00 0.07 0.00 0.00 59.36 58.30 3kb9 h GLU 135 Cb 1.32 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.43 3kb9 h GLU 135 CO 0.54 0.13 0.48 0.34 0.07 0.00 0.00 179.01 180.57 3kb9 s ASP 136 N -6.98 6.50 0.56 3.06 -1.08 -1.26 -4.90 116.67 112.57 3kb9 s ASP 136 Ca -0.05 0.14 0.30 0.00 -0.52 0.00 0.00 52.55 52.41 3kb9 s ASP 136 Cb 0.17 -2.42 1.65 0.00 -1.46 0.00 0.00 42.92 40.86 3kb9 s ASP 136 CO 0.69 -0.93 2.16 0.71 0.52 0.00 0.00 175.17 178.32 3kb9 h THR 137 N 5.97 0.50 -0.41 1.71 1.35 -1.88 -0.13 112.91 120.01 3kb9 h THR 137 Ca -0.24 -0.30 -0.12 0.00 -0.55 0.00 0.00 66.41 65.19 3kb9 h THR 137 Cb 1.08 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 3kb9 h THR 137 CO 0.98 0.06 -0.24 0.25 -0.25 0.00 0.00 175.52 176.33 3kb9 h LEU 138 N 0.00 0.86 -0.36 3.87 5.85 -1.90 0.59 115.31 124.23 3kb9 h LEU 138 Ca -0.00 -0.32 -0.12 0.00 0.84 0.00 0.00 57.88 58.28 3kb9 h LEU 138 Cb 0.19 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3kb9 h LEU 138 CO 0.01 1.06 -0.24 0.58 -0.34 0.00 0.00 178.44 179.51 3kb9 h VAL 139 N 0.73 1.29 -0.53 1.05 2.07 -1.44 -2.21 116.25 117.19 3kb9 h VAL 139 Ca 0.10 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 3kb9 h VAL 139 Cb 0.77 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3kb9 h VAL 139 CO 0.06 0.46 0.09 0.00 0.02 0.00 0.00 177.57 178.20 3kb9 h ALA 140 N 0.77 1.15 -0.27 1.67 0.00 -1.03 -0.77 119.26 120.79 3kb9 h ALA 140 Ca 0.07 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 3kb9 h ALA 140 Cb 0.81 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3kb9 h ALA 140 CO 0.07 0.56 -0.58 0.78 0.00 0.00 0.00 179.25 180.08 3kb9 h GLY 141 N 0.98 0.95 0.82 0.00 0.00 -0.86 -1.71 103.07 103.25 3kb9 h GLY 141 Ca 0.17 -1.14 0.02 0.00 0.00 0.00 0.00 47.33 46.37 3kb9 h GLY 141 CO 0.01 1.03 -0.02 -2.75 0.00 0.00 0.00 176.54 174.80 3kb9 h PHE 142 N 0.66 -0.04 -0.85 5.60 3.57 -1.19 -2.12 116.94 122.57 3kb9 h PHE 142 Ca 0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3kb9 h PHE 142 Cb 1.20 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 3kb9 h PHE 142 CO 0.07 -0.03 0.56 0.00 -2.23 0.00 0.00 178.31 176.68 3kb9 h ALA 143 N 1.09 1.08 -0.18 2.41 0.00 -0.99 -0.56 119.26 122.11 3kb9 h ALA 143 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kb9 h ALA 143 Cb 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3kb9 h ALA 143 CO -0.09 0.49 0.10 0.22 0.00 0.00 0.00 179.25 179.96 3kb9 h ASP 144 N 1.15 0.16 -0.46 0.00 3.58 -1.10 0.45 116.42 120.20 3kb9 h ASP 144 Ca 0.31 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.64 3kb9 h ASP 144 Cb -0.13 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 3kb9 h ASP 144 CO -0.07 0.12 -0.19 0.77 -2.88 0.00 0.00 179.24 176.99 3kb9 h SER 145 N 0.21 0.99 -0.37 2.28 4.64 -0.98 -2.63 113.55 117.69 3kb9 h SER 145 Ca 0.07 -0.36 -0.14 0.00 -0.47 0.00 0.00 61.79 60.89 3kb9 h SER 145 Cb 0.00 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 3kb9 h SER 145 CO -0.04 1.15 -0.32 0.58 -0.87 0.00 0.00 176.83 177.33 3kb9 h VAL 146 N 0.84 1.28 -0.84 0.95 2.07 -1.02 -0.90 116.25 118.63 3kb9 h VAL 146 Ca 0.11 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.21 3kb9 h VAL 146 Cb 0.76 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 3kb9 h VAL 146 CO 0.06 0.49 0.52 -0.09 0.02 0.00 0.00 177.57 178.58 3kb9 h ARG 147 N 0.68 0.92 -0.50 1.57 2.43 -0.87 -0.60 114.38 118.01 3kb9 h ARG 147 Ca 0.07 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 3kb9 h ARG 147 Cb 0.90 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 3kb9 h ARG 147 CO 0.08 0.61 -0.17 0.00 -1.51 0.00 0.00 179.97 178.98 3kb9 h ARG 148 N 0.95 0.99 -0.03 0.20 3.08 -1.19 -2.65 114.38 115.72 3kb9 h ARG 148 Ca 0.37 -0.39 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3kb9 h ARG 148 Cb 0.18 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3kb9 h ARG 148 CO -0.18 1.07 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.50 3kb9 h LEU 149 N 0.86 0.04 0.00 3.04 3.38 -0.46 -2.23 115.31 119.95 3kb9 h LEU 149 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kb9 h LEU 149 Cb 0.73 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3kb9 h LEU 149 CO 0.06 0.27 0.00 -1.22 0.09 0.00 0.00 178.44 177.64 3kb9 n TYR 150 N -4.25 0.00 0.24 1.13 4.01 -0.30 -3.62 117.16 114.37 3kb9 n TYR 150 Ca -0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.83 3kb9 n TYR 150 Cb 0.29 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.53 3kb9 n TYR 150 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kb9 n ALA 151 N -0.92 2.41 -0.10 -0.72 0.00 -0.84 -4.55 120.51 115.79 3kb9 n ALA 151 Ca 0.19 -1.01 -0.11 0.00 0.00 0.00 0.00 53.44 52.50 3kb9 n ALA 151 Cb 0.09 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 3kb9 n ALA 151 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kb9 n PHE 152 N 1.43 0.00 -4.40 0.00 3.72 -1.24 -5.05 117.46 111.93 3kb9 n PHE 152 Ca 0.19 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.38 3kb9 n PHE 152 Cb 0.59 -0.86 -0.09 0.00 -0.94 0.00 0.00 39.48 38.17 3kb9 n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3kb9 s LEU 153 N -5.70 1.84 0.97 4.37 1.43 -1.26 -5.03 118.68 115.30 3kb9 s LEU 153 Ca -0.17 -1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 51.30 3kb9 s LEU 153 Cb 0.06 -0.02 0.17 0.00 0.03 0.00 0.00 46.19 46.44 3kb9 s LEU 153 CO 0.64 -0.82 1.10 -2.84 0.23 0.00 0.00 176.35 174.66 3kb9 s PRO 154 N -3.85 0.61 0.55 1.29 0.02 -1.26 -4.76 135.00 127.61 3kb9 s PRO 154 Ca 0.33 1.21 0.26 0.00 0.02 0.00 0.00 61.00 62.82 3kb9 s PRO 154 Cb 0.06 -1.70 1.46 0.00 0.02 0.00 0.00 34.50 34.33 3kb9 s PRO 154 CO 0.16 -2.80 2.02 0.00 -0.33 0.00 0.00 177.00 176.05 3kb9 h ALA 155 N -1.97 2.26 -0.61 -1.55 0.00 -1.99 -0.40 119.26 114.99 3kb9 h ALA 155 Ca -0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3kb9 h ALA 155 Cb 1.29 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3kb9 h ALA 155 CO 0.47 -0.53 0.31 1.79 0.00 0.00 0.00 179.25 181.29 3kb9 h THR 156 N 0.00 1.19 -0.06 0.00 1.35 -1.99 0.12 112.91 113.52 3kb9 h THR 156 Ca 0.19 -0.52 -0.18 0.00 -0.55 0.00 0.00 66.41 65.36 3kb9 h THR 156 Cb 0.83 0.39 0.01 0.00 -1.73 0.00 0.00 68.15 67.66 3kb9 h THR 156 CO -0.00 0.22 -0.65 -0.25 -0.25 0.00 0.00 175.52 174.59 3kb9 h TRP 157 N 0.85 0.77 -1.00 4.73 7.01 -1.41 -2.64 115.95 124.26 3kb9 h TRP 157 Ca 0.22 -0.38 0.10 0.00 2.11 0.00 0.00 58.89 60.93 3kb9 h TRP 157 Cb 0.06 -0.10 -0.08 0.00 -2.10 0.00 0.00 29.16 26.94 3kb9 h TRP 157 CO 0.01 1.18 0.64 -0.91 -2.79 0.00 0.00 178.44 176.57 3kb9 h ASN 158 N 0.13 0.97 0.02 2.65 2.35 -1.09 -0.28 115.58 120.33 3kb9 h ASN 158 Ca -0.07 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 3kb9 h ASN 158 Cb 1.32 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 3kb9 h ASN 158 CO 0.13 0.57 -0.37 0.00 -1.65 0.00 0.00 177.43 176.11 3kb9 h ALA 159 N 1.50 0.97 -0.30 -0.83 0.00 -0.73 -0.65 119.26 119.23 3kb9 h ALA 159 Ca 0.47 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3kb9 h ALA 159 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kb9 h ALA 159 CO -0.22 0.61 -0.05 -0.09 0.00 0.00 0.00 179.25 179.50 3kb9 h ARG 160 N 0.40 0.56 -0.40 0.00 2.43 -0.92 0.23 114.38 116.68 3kb9 h ARG 160 Ca 0.04 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3kb9 h ARG 160 Cb 0.83 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 3kb9 h ARG 160 CO 0.07 0.75 0.18 0.35 -1.51 0.00 0.00 179.97 179.81 3kb9 h PHE 161 N 0.34 0.34 -0.23 2.20 3.57 -0.93 0.02 116.94 122.24 3kb9 h PHE 161 Ca 0.08 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3kb9 h PHE 161 Cb 0.53 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3kb9 h PHE 161 CO 0.05 0.16 0.07 0.00 -2.23 0.00 0.00 178.31 176.37 3kb9 h ALA 162 N 1.23 0.30 -0.49 2.41 0.00 -1.02 0.59 119.26 122.27 3kb9 h ALA 162 Ca 0.18 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3kb9 h ALA 162 Cb 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3kb9 h ALA 162 CO -0.14 -0.08 0.07 -0.09 0.00 0.00 0.00 179.25 179.02 3kb9 h ARG 163 N 0.20 0.19 -0.72 0.00 2.43 -0.58 0.80 114.38 116.70 3kb9 h ARG 163 Ca 0.07 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3kb9 h ARG 163 Cb 0.23 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3kb9 h ARG 163 CO -0.00 0.13 0.29 0.45 -1.51 0.00 0.00 179.97 179.32 3kb9 h HIS 164 N 0.20 1.10 0.00 2.20 3.86 -0.70 -3.01 115.15 118.80 3kb9 h HIS 164 Ca 0.25 -0.08 -0.16 0.00 -1.16 0.00 0.00 60.37 59.22 3kb9 h HIS 164 Cb 0.35 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3kb9 h HIS 164 CO -0.25 0.85 -0.75 0.35 0.86 0.00 0.00 177.93 178.99 3kb9 h PHE 165 N 1.04 0.00 -0.94 2.45 3.57 -0.19 -2.03 116.94 120.83 3kb9 h PHE 165 Ca 0.24 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.84 3kb9 h PHE 165 Cb 0.22 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.88 3kb9 h PHE 165 CO 0.02 0.75 0.58 0.45 -2.23 0.00 0.00 178.31 177.87 3kb9 h HIS 166 N 0.00 1.06 -0.59 0.41 3.86 -0.80 -0.81 115.15 118.28 3kb9 h HIS 166 Ca -0.01 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 3kb9 h HIS 166 Cb 1.36 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.48 3kb9 h HIS 166 CO 0.00 0.45 0.12 1.15 0.86 0.00 0.00 177.93 180.50 3kb9 h THR 167 N 0.96 1.25 -0.39 2.45 2.02 -1.35 -2.33 112.91 115.52 3kb9 h THR 167 Ca 0.45 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.69 3kb9 h THR 167 Cb 0.39 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3kb9 h THR 167 CO -0.24 0.35 0.24 0.58 0.37 0.00 0.00 175.52 176.81 3kb9 h VAL 168 N 0.87 1.06 -0.66 3.16 2.07 -0.73 -1.84 116.25 120.18 3kb9 h VAL 168 Ca 0.18 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.59 3kb9 h VAL 168 Cb 0.39 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3kb9 h VAL 168 CO 0.01 0.09 0.36 0.40 0.02 0.00 0.00 177.57 178.45 3kb9 h ILE 169 N 0.48 0.97 -0.11 4.57 2.04 -0.95 -0.70 117.51 123.80 3kb9 h ILE 169 Ca 0.15 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 3kb9 h ILE 169 Cb -0.02 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 3kb9 h ILE 169 CO -0.06 0.12 -0.29 -0.33 0.00 0.00 0.00 178.15 177.60 3kb9 h GLU 170 N 0.68 0.21 -0.40 2.37 4.39 -1.16 -1.17 114.58 119.48 3kb9 h GLU 170 Ca 0.29 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.80 3kb9 h GLU 170 Cb 0.18 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3kb9 h GLU 170 CO -0.18 0.49 -0.24 0.00 -1.16 0.00 0.00 179.01 177.92 3kb9 h ALA 171 N 1.52 0.82 -0.89 3.43 0.00 -0.45 -0.19 119.26 123.50 3kb9 h ALA 171 Ca 0.03 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.59 3kb9 h ALA 171 Cb 0.61 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3kb9 h ALA 171 CO 0.04 0.64 0.58 1.88 0.00 0.00 0.00 179.25 182.40 3kb9 h TYR 172 N 0.71 1.09 -0.62 0.00 -1.99 -0.76 -1.40 116.97 114.01 3kb9 h TYR 172 Ca 0.09 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 3kb9 h TYR 172 Cb 0.77 -0.36 -0.03 0.00 2.00 0.00 0.00 36.73 39.10 3kb9 h TYR 172 CO 0.04 0.64 0.34 0.22 -0.00 0.00 0.00 178.16 179.40 3kb9 h ASP 173 N 1.14 0.77 -0.96 3.88 3.58 -0.43 -0.90 116.42 123.49 3kb9 h ASP 173 Ca 0.35 -0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.73 3kb9 h ASP 173 Cb -0.01 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 40.79 3kb9 h ASP 173 CO -0.11 0.65 0.63 0.03 -2.88 0.00 0.00 179.24 177.56 3kb9 h ARG 174 N 0.84 1.23 -0.82 0.28 3.08 -0.73 -1.80 114.38 116.46 3kb9 h ARG 174 Ca 0.22 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 3kb9 h ARG 174 Cb 0.05 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 29.78 3kb9 h ARG 174 CO -0.03 0.81 0.36 0.93 -1.07 0.00 0.00 179.97 180.97 3kb9 h GLU 175 N 1.27 1.20 -0.37 0.04 5.08 -0.70 0.34 114.58 121.44 3kb9 h GLU 175 Ca 0.36 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3kb9 h GLU 175 Cb -0.09 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 28.91 3kb9 h GLU 175 CO -0.09 0.94 0.12 0.35 -1.00 0.00 0.00 179.01 179.33 3kb9 h PHE 176 N 1.17 0.21 -0.11 4.33 3.57 -0.38 -0.84 116.94 124.90 3kb9 h PHE 176 Ca 0.28 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.64 3kb9 h PHE 176 Cb 0.16 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3kb9 h PHE 176 CO 0.02 0.08 -0.60 0.45 -2.23 0.00 0.00 178.31 176.03 3kb9 h HIS 177 N 0.27 0.47 -0.25 0.41 3.86 -0.96 -1.28 115.15 117.67 3kb9 h HIS 177 Ca 0.17 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3kb9 h HIS 177 Cb 0.15 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3kb9 h HIS 177 CO -0.15 0.87 0.16 -0.91 0.86 0.00 0.00 177.93 178.76 3kb9 h ASN 178 N 0.28 0.29 -0.19 2.45 2.35 -0.54 -1.13 115.58 119.09 3kb9 h ASN 178 Ca -0.00 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 3kb9 h ASN 178 Cb 1.12 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 3kb9 h ASN 178 CO 0.10 0.24 -0.41 0.03 -1.65 0.00 0.00 177.43 175.74 3kb9 h ARG 179 N 0.32 0.74 -0.34 0.81 3.08 -1.03 0.43 114.38 118.39 3kb9 h ARG 179 Ca 0.09 -0.39 -0.10 0.00 0.07 0.00 0.00 59.98 59.65 3kb9 h ARG 179 Cb -0.00 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3kb9 h ARG 179 CO -0.02 1.01 -0.20 1.15 -1.07 0.00 0.00 179.97 180.85 3kb9 h THR 180 N 0.60 1.26 -0.01 2.04 2.02 -1.07 -2.73 112.91 115.02 3kb9 h THR 180 Ca 0.05 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.98 3kb9 h THR 180 Cb 0.96 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3kb9 h THR 180 CO 0.09 0.41 -0.13 0.54 0.37 0.00 0.00 175.52 176.80 3kb9 n ARG 181 N -4.14 1.12 -1.00 6.66 1.74 -0.44 -4.94 116.66 115.66 3kb9 n ARG 181 Ca 0.00 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.48 3kb9 n ARG 181 Cb 0.40 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3kb9 n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kb9 n GLY 182 N 1.25 0.58 3.70 -0.13 0.00 -0.29 -5.01 105.19 105.30 3kb9 n GLY 182 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3kb9 n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kb9 s ILE 183 N -2.31 4.90 -0.28 -0.61 1.01 -0.02 -4.99 121.20 118.91 3kb9 s ILE 183 Ca 0.00 1.86 -0.12 0.00 0.00 0.00 0.00 60.65 62.39 3kb9 s ILE 183 Cb 0.00 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 3kb9 s ILE 183 CO 0.00 0.14 0.22 -0.69 0.00 0.00 0.00 174.94 174.61 3kb9 s VAL 184 N 1.27 5.29 0.75 2.92 1.01 -1.26 -4.46 120.40 125.91 3kb9 s VAL 184 Ca 0.46 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.53 3kb9 s VAL 184 Cb -0.19 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.68 3kb9 s VAL 184 CO 0.22 0.23 1.24 -2.84 0.00 0.00 0.00 175.10 173.95 3kb9 s PRO 185 N 1.81 1.98 1.02 2.72 0.02 -1.26 -4.99 135.00 136.30 3kb9 s PRO 185 Ca 0.08 1.88 -0.12 0.00 0.02 0.00 0.00 61.00 62.86 3kb9 s PRO 185 Cb -0.16 -1.80 0.20 0.00 0.02 0.00 0.00 34.50 32.76 3kb9 s PRO 185 CO 0.11 -1.99 1.08 0.20 -0.33 0.00 0.00 177.00 176.07 3kb9 s GLY 186 N -1.86 1.57 0.07 0.52 0.00 -1.26 -4.66 107.32 101.70 3kb9 s GLY 186 Ca 0.77 -0.24 -0.25 0.00 0.00 0.00 0.00 44.72 45.00 3kb9 s GLY 186 CO 0.46 0.37 1.65 -2.08 0.00 0.00 0.00 173.10 173.50 3kb9 h VAL 187 N -2.01 0.96 -0.38 1.40 2.07 -1.94 0.14 116.25 116.49 3kb9 h VAL 187 Ca -0.55 -0.16 -0.15 0.00 0.82 0.00 0.00 66.70 66.66 3kb9 h VAL 187 Cb 1.32 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3kb9 h VAL 187 CO 0.55 0.04 -0.37 -0.08 0.02 0.00 0.00 177.57 177.73 3kb9 h GLU 188 N -0.19 0.91 -0.69 1.57 4.57 -1.99 -1.04 114.58 117.71 3kb9 h GLU 188 Ca -0.01 -0.46 0.05 0.00 -1.18 0.00 0.00 59.36 57.76 3kb9 h GLU 188 Cb 0.16 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 3kb9 h GLU 188 CO 0.02 1.12 0.40 1.49 -1.18 0.00 0.00 179.01 180.86 3kb9 h GLU 189 N 0.75 0.72 -0.29 1.92 4.81 -1.90 -2.13 114.58 118.46 3kb9 h GLU 189 Ca 0.07 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3kb9 h GLU 189 Cb 0.95 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3kb9 h GLU 189 CO 0.09 0.48 0.10 -0.92 -0.73 0.00 0.00 179.01 178.03 3kb9 h TYR 190 N 0.75 0.45 -0.69 0.92 3.20 -0.45 -1.63 116.97 119.51 3kb9 h TYR 190 Ca 0.30 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 3kb9 h TYR 190 Cb 0.15 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3kb9 h TYR 190 CO -0.07 0.46 0.41 -0.07 -1.64 0.00 0.00 178.16 177.26 3kb9 h LEU 191 N 0.31 0.83 -0.10 2.82 3.38 -0.84 0.32 115.31 122.03 3kb9 h LEU 191 Ca 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kb9 h LEU 191 Cb 0.21 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kb9 h LEU 191 CO -0.01 0.64 0.00 -0.08 0.09 0.00 0.00 178.44 179.09 3kb9 h GLU 192 N 0.96 0.18 -0.91 1.13 4.81 -1.31 -3.12 114.58 116.32 3kb9 h GLU 192 Ca 0.25 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 3kb9 h GLU 192 Cb -0.03 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 3kb9 h GLU 192 CO -0.05 0.43 0.59 1.25 -0.73 0.00 0.00 179.01 180.51 3kb9 h LEU 193 N -0.09 0.95 -1.32 1.64 5.85 -0.62 -2.99 115.31 118.73 3kb9 h LEU 193 Ca 0.03 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3kb9 h LEU 193 Cb 0.35 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3kb9 h LEU 193 CO 0.01 0.63 -0.27 -0.09 -0.34 0.00 0.00 178.44 178.38 3kb9 h ARG 194 N 1.09 0.00 0.00 1.25 9.65 -0.32 0.67 114.38 126.72 3kb9 h ARG 194 Ca 0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.25 3kb9 h ARG 194 Cb 0.10 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 3kb9 h ARG 194 CO -0.13 0.27 0.00 0.00 2.80 0.00 0.00 179.97 182.92 3kb9 h ARG 195 N 0.00 0.00 0.00 0.20 3.08 -1.51 -1.45 114.38 114.70 3kb9 h ARG 195 Ca -0.00 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.64 3kb9 h ARG 195 Cb 0.66 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 3kb9 h ARG 195 CO 0.04 0.00 -2.49 1.28 -1.07 0.00 0.00 179.97 177.73 3kb9 n LEU 196 N -2.99 2.71 0.18 3.04 4.77 0.10 -2.31 117.00 122.50 3kb9 n LEU 196 Ca -0.01 -0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.00 3kb9 n LEU 196 Cb 0.18 -0.88 0.31 0.00 -2.33 0.00 0.00 43.42 40.70 3kb9 n LEU 196 CO 0.23 0.84 0.66 0.71 -1.33 0.00 0.00 177.39 178.50 3kb9 h THR 197 N -0.25 0.92 0.00 -5.08 1.35 -1.14 -1.84 112.91 106.86 3kb9 h THR 197 Ca -0.61 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 3kb9 h THR 197 Cb 1.82 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 70.20 3kb9 h THR 197 CO -0.18 0.39 -0.29 0.33 -0.25 0.00 0.00 175.52 175.52 3kb9 n PHE 198 N -3.54 0.26 -3.23 4.73 7.35 -0.55 -4.95 117.46 117.53 3kb9 n PHE 198 Ca -0.00 0.08 -0.18 0.00 -0.76 0.00 0.00 57.45 56.58 3kb9 n PHE 198 Cb 0.53 -0.52 0.05 0.00 0.35 0.00 0.00 39.48 39.89 3kb9 n PHE 198 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kb9 n ALA 199 N -1.61 -0.94 -0.31 3.13 0.00 -0.69 -4.92 120.51 115.16 3kb9 n ALA 199 Ca 0.05 0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.84 3kb9 n ALA 199 Cb 0.37 -4.08 0.12 0.00 0.00 0.00 0.00 19.45 15.86 3kb9 n ALA 199 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kb9 n HIS 200 N -4.38 0.30 0.22 0.00 8.25 -0.98 -1.21 115.22 117.42 3kb9 n HIS 200 Ca -0.01 1.05 0.12 0.00 -0.26 0.00 0.00 57.72 58.61 3kb9 n HIS 200 Cb 0.56 -0.99 0.15 0.00 1.12 0.00 0.00 29.99 30.82 3kb9 n HIS 200 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3kb9 h TRP 201 N 0.00 0.00 0.01 4.41 -0.00 -1.92 -2.19 115.95 116.26 3kb9 h TRP 201 Ca 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.30 3kb9 h TRP 201 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.78 3kb9 h TRP 201 CO -0.66 0.00 -0.00 0.82 -0.00 0.00 0.00 178.44 178.59 3kb9 h ILE 202 N 0.00 1.38 -0.66 1.49 1.08 -1.52 0.11 117.51 119.39 3kb9 h ILE 202 Ca 0.00 -1.18 0.01 0.00 -0.39 0.00 0.00 64.86 63.30 3kb9 h ILE 202 Cb 0.99 2.17 -0.03 0.00 -3.07 0.00 0.00 36.82 36.88 3kb9 h ILE 202 CO 0.00 0.30 0.44 -0.50 -0.69 0.00 0.00 178.15 177.70 3kb9 h TRP 203 N -0.52 0.82 -0.31 1.37 -0.00 -1.35 -0.29 115.95 115.68 3kb9 h TRP 203 Ca -0.00 0.02 -0.14 0.00 -0.00 0.00 0.00 58.89 58.77 3kb9 h TRP 203 Cb 0.51 -0.28 -0.00 0.00 -0.00 0.00 0.00 29.16 29.39 3kb9 h TRP 203 CO 0.10 0.51 -0.37 1.15 -0.00 0.00 0.00 178.44 179.84 3kb9 h THR 204 N 0.88 1.29 -0.93 1.49 2.02 -1.35 -2.68 112.91 113.63 3kb9 h THR 204 Ca 0.24 -1.54 0.06 0.00 0.77 0.00 0.00 66.41 65.94 3kb9 h THR 204 Cb -0.08 1.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3kb9 h THR 204 CO -0.06 0.50 0.59 0.44 0.37 0.00 0.00 175.52 177.37 3kb9 h ASP 205 N 0.56 0.94 0.74 4.18 3.32 -0.05 -2.41 116.42 123.70 3kb9 h ASP 205 Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3kb9 h ASP 205 Cb 0.95 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3kb9 h ASP 205 CO 0.09 0.60 0.00 0.18 -1.72 0.00 0.00 179.24 178.39 3kb9 n LEU 206 N -4.56 0.38 -0.10 1.55 4.77 -0.19 -1.86 117.00 116.99 3kb9 n LEU 206 Ca 0.14 0.58 0.05 0.00 -0.03 0.00 0.00 56.01 56.75 3kb9 n LEU 206 Cb 0.18 -0.52 0.38 0.00 -2.33 0.00 0.00 43.42 41.13 3kb9 n LEU 206 CO 0.32 -0.37 1.20 -0.07 -1.33 0.00 0.00 177.39 177.14 3kb9 h LEU 207 N 0.00 0.58 -0.03 2.23 3.38 -1.30 -2.94 115.31 117.23 3kb9 h LEU 207 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kb9 h LEU 207 Cb 0.37 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kb9 h LEU 207 CO 0.00 0.40 -0.02 -0.33 0.09 0.00 0.00 178.44 178.58 3kb9 h GLU 208 N 0.67 0.07 0.00 1.13 5.08 -1.53 -2.06 114.58 117.94 3kb9 h GLU 208 Ca 0.24 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3kb9 h GLU 208 Cb 0.11 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3kb9 h GLU 208 CO -0.06 0.49 -0.22 -1.00 -1.00 0.00 0.00 179.01 177.22 3kb9 h PRO 209 N -0.36 0.00 0.00 2.33 0.13 -1.73 -0.20 132.00 132.17 3kb9 h PRO 209 Ca 0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3kb9 h PRO 209 Cb 0.47 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 3kb9 h PRO 209 CO 0.01 0.22 -0.15 0.77 -0.23 0.00 0.00 178.00 178.61 3kb9 h SER 210 N 0.00 0.00 -0.30 1.44 0.02 -1.29 -2.59 113.55 110.83 3kb9 h SER 210 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kb9 h SER 210 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3kb9 h SER 210 CO 0.03 0.15 0.00 -1.54 -1.14 0.00 0.00 176.83 174.33 3kb9 n SER 211 N -4.33 2.84 0.00 3.07 3.41 -0.80 -3.39 113.62 114.41 3kb9 n SER 211 Ca -0.03 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 3kb9 n SER 211 Cb 0.22 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3kb9 n SER 211 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kb9 n GLY 212 N 0.80 0.45 3.30 5.00 0.00 -0.18 -4.85 105.19 109.71 3kb9 n GLY 212 Ca 0.13 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 3kb9 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kb9 s GLU 214 N 2.26 4.05 0.19 0.00 2.12 -1.26 -4.57 118.70 121.49 3kb9 s GLU 214 Ca -0.04 1.40 -0.30 0.00 0.36 0.00 0.00 54.97 56.39 3kb9 s GLU 214 Cb -0.11 -3.82 -0.08 0.00 0.26 0.00 0.00 34.13 30.38 3kb9 s GLU 214 CO -0.13 -0.94 1.05 -0.51 -0.54 0.00 0.00 175.26 174.19 3kb9 s LEU 215 N 3.98 4.53 0.70 2.70 1.43 -1.26 -5.01 118.68 125.74 3kb9 s LEU 215 Ca 0.55 2.04 -0.16 0.00 -1.03 0.00 0.00 54.13 55.53 3kb9 s LEU 215 Cb -0.18 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.45 3kb9 s LEU 215 CO 0.19 -0.11 1.26 -2.84 0.23 0.00 0.00 176.35 175.08 3kb9 s PRO 216 N -0.63 2.26 0.30 1.29 0.02 -1.26 -4.72 135.00 132.26 3kb9 s PRO 216 Ca 0.47 1.95 0.05 0.00 0.02 0.00 0.00 61.00 63.49 3kb9 s PRO 216 Cb -0.28 -1.82 0.71 0.00 0.02 0.00 0.00 34.50 33.13 3kb9 s PRO 216 CO 0.35 -1.79 1.76 -0.44 -0.33 0.00 0.00 177.00 176.54 3kb9 h ASP 217 N 0.07 0.67 0.68 2.53 3.32 -1.98 -0.80 116.42 120.92 3kb9 h ASP 217 Ca -0.49 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 3kb9 h ASP 217 Cb 1.32 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 3kb9 h ASP 217 CO 0.51 0.21 -0.01 0.00 -1.72 0.00 0.00 179.24 178.23 3kb9 h ALA 218 N 1.65 1.01 0.00 3.45 0.00 -1.96 0.47 119.26 123.89 3kb9 h ALA 218 Ca 0.56 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.30 3kb9 h ALA 218 Cb 0.91 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3kb9 h ALA 218 CO -0.41 0.01 -1.06 0.28 0.00 0.00 0.00 179.25 178.07 3kb9 n VAL 219 N -3.12 1.50 0.44 0.00 0.31 -0.39 -3.58 118.33 113.49 3kb9 n VAL 219 Ca -0.01 0.04 0.13 0.00 -0.01 0.00 0.00 64.34 64.49 3kb9 n VAL 219 Cb 0.23 -2.15 0.48 0.00 -0.91 0.00 0.00 33.84 31.50 3kb9 n VAL 219 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3kb9 h ARG 220 N -1.00 0.00 -0.33 5.55 0.11 -1.24 -2.38 114.38 115.09 3kb9 h ARG 220 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 3kb9 h ARG 220 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3kb9 h ARG 220 CO -0.15 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.55 3kb9 n LYS 221 N -2.37 2.38 -1.65 0.08 5.02 0.15 -4.02 118.16 117.76 3kb9 n LYS 221 Ca 0.03 -2.08 -0.46 0.00 -2.02 0.00 0.00 58.31 53.78 3kb9 n LYS 221 Cb 0.30 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3kb9 n LYS 221 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3kb9 n HIS 222 N 1.31 1.95 -0.06 2.13 -0.00 -0.90 -4.75 115.22 114.89 3kb9 n HIS 222 Ca 0.19 0.49 0.13 0.00 0.46 0.00 0.00 57.72 58.98 3kb9 n HIS 222 Cb 0.57 -2.42 0.52 0.00 -0.12 0.00 0.00 29.99 28.54 3kb9 n HIS 222 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3kb9 h PRO 223 N 4.10 0.34 -0.09 1.57 0.11 -1.91 0.22 132.00 136.34 3kb9 h PRO 223 Ca -0.45 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.40 3kb9 h PRO 223 Cb 1.29 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.34 3kb9 h PRO 223 CO 0.75 0.23 -0.89 0.00 -0.21 0.00 0.00 178.00 177.88 3kb9 h ALA 224 N 1.71 0.25 -0.34 -0.75 0.00 -1.92 -1.09 119.26 117.11 3kb9 h ALA 224 Ca 0.27 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3kb9 h ALA 224 Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3kb9 h ALA 224 CO -0.07 0.69 0.14 -0.92 0.00 0.00 0.00 179.25 179.09 3kb9 h TYR 225 N 0.47 0.52 -0.38 0.00 3.20 -1.62 -1.06 116.97 118.10 3kb9 h TYR 225 Ca -0.08 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.75 3kb9 h TYR 225 Cb 1.52 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.62 3kb9 h TYR 225 CO 0.09 0.49 0.24 0.00 -1.64 0.00 0.00 178.16 177.34 3kb9 h ARG 226 N 0.41 0.51 -0.35 1.82 2.47 -0.98 -0.58 114.38 117.68 3kb9 h ARG 226 Ca 0.11 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.68 3kb9 h ARG 226 Cb 0.18 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3kb9 h ARG 226 CO -0.01 0.36 -0.26 -0.09 0.56 0.00 0.00 179.97 180.53 3kb9 h ARG 227 N 0.51 0.79 -0.76 0.04 9.65 -1.14 -0.43 114.38 123.04 3kb9 h ARG 227 Ca 0.14 -0.39 -0.05 0.00 -1.10 0.00 0.00 59.98 58.59 3kb9 h ARG 227 Cb -0.03 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 3kb9 h ARG 227 CO -0.03 1.01 0.29 0.00 2.80 0.00 0.00 179.97 184.05 3kb9 h ALA 228 N 0.76 0.99 -0.45 2.80 0.00 -1.07 -1.03 119.26 121.26 3kb9 h ALA 228 Ca 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3kb9 h ALA 228 Cb 0.83 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3kb9 h ALA 228 CO 0.07 0.62 0.20 0.00 0.00 0.00 0.00 179.25 180.14 3kb9 h ALA 229 N 1.15 0.58 -0.13 0.00 0.00 -0.84 -2.26 119.26 117.76 3kb9 h ALA 229 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kb9 h ALA 229 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kb9 h ALA 229 CO -0.02 0.16 0.06 1.25 0.00 0.00 0.00 179.25 180.70 3kb9 h LEU 230 N 0.58 0.18 -1.07 0.00 5.85 -0.84 -2.94 115.31 117.07 3kb9 h LEU 230 Ca 0.15 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3kb9 h LEU 230 Cb 0.16 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3kb9 h LEU 230 CO -0.02 0.27 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.15 3kb9 h LEU 231 N 0.07 0.49 -0.81 2.25 3.38 -1.10 -0.03 115.31 119.56 3kb9 h LEU 231 Ca 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kb9 h LEU 231 Cb 0.15 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3kb9 h LEU 231 CO -0.00 0.65 0.52 0.28 0.09 0.00 0.00 178.44 179.98 3kb9 h SER 232 N 0.46 0.94 -0.03 -0.43 0.02 -1.35 -1.06 113.55 112.10 3kb9 h SER 232 Ca 0.08 -0.04 -0.25 0.00 -0.84 0.00 0.00 61.79 60.75 3kb9 h SER 232 Cb 0.51 -0.24 0.02 0.00 0.14 0.00 0.00 62.40 62.83 3kb9 h SER 232 CO 0.03 0.69 -0.95 1.56 -1.14 0.00 0.00 176.83 177.02 3kb9 h GLN 233 N 1.10 0.73 -0.65 3.45 1.08 -1.24 -2.46 115.11 117.12 3kb9 h GLN 233 Ca 0.29 -0.71 0.01 0.00 -1.45 0.00 0.00 58.65 56.80 3kb9 h GLN 233 Cb -0.10 0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 3kb9 h GLN 233 CO -0.06 1.30 0.42 0.93 -0.95 0.00 0.00 178.83 180.47 3kb9 h GLU 234 N 0.44 0.83 -0.13 1.46 4.39 -0.88 0.75 114.58 121.43 3kb9 h GLU 234 Ca -0.10 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.59 3kb9 h GLU 234 Cb 1.60 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 30.02 3kb9 h GLU 234 CO 0.19 0.55 -0.11 0.35 -1.16 0.00 0.00 179.01 178.83 3kb9 h PHE 235 N 0.85 -0.27 -0.47 4.33 3.57 -1.21 0.08 116.94 123.82 3kb9 h PHE 235 Ca 0.25 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 3kb9 h PHE 235 Cb -0.06 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3kb9 h PHE 235 CO -0.03 -0.17 0.11 0.00 -2.23 0.00 0.00 178.31 175.99 3kb9 h ALA 236 N 0.97 0.62 -0.35 2.41 0.00 -0.95 0.54 119.26 122.50 3kb9 h ALA 236 Ca 0.09 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3kb9 h ALA 236 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kb9 h ALA 236 CO -0.21 0.32 -0.08 0.00 0.00 0.00 0.00 179.25 179.28 3kb9 h ALA 237 N 0.98 0.49 0.00 0.00 0.00 -0.72 0.27 119.26 120.28 3kb9 h ALA 237 Ca 0.15 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 3kb9 h ALA 237 Cb 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kb9 h ALA 237 CO 0.00 0.33 -0.77 -1.49 0.00 0.00 0.00 179.25 177.32 3kb9 h TRP 238 N 0.47 0.00 -0.29 0.00 6.55 -0.81 -0.52 115.95 121.35 3kb9 h TRP 238 Ca 0.09 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.78 3kb9 h TRP 238 Cb 0.58 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.88 3kb9 h TRP 238 CO 0.05 0.77 -0.44 -0.92 -1.05 0.00 0.00 178.44 176.85 3kb9 h TYR 239 N 0.00 0.90 -0.69 0.49 3.20 -0.82 -0.37 116.97 119.69 3kb9 h TYR 239 Ca -0.01 -0.28 0.05 0.00 3.14 0.00 0.00 58.73 61.63 3kb9 h TYR 239 Cb 1.38 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.41 3kb9 h TYR 239 CO 0.00 1.05 0.40 -0.97 -1.64 0.00 0.00 178.16 177.00 3kb9 h ASN 240 N 0.60 0.62 -0.58 -2.11 -0.73 -0.57 -1.40 115.58 111.41 3kb9 h ASN 240 Ca 0.04 0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.27 3kb9 h ASN 240 Cb 1.00 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 39.44 3kb9 h ASN 240 CO 0.09 0.41 0.33 0.44 -0.37 0.00 0.00 177.43 178.33 3kb9 h ASP 241 N 0.75 0.51 -0.38 1.15 5.19 -0.57 0.37 116.42 123.45 3kb9 h ASP 241 Ca 0.30 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.72 3kb9 h ASP 241 Cb 0.14 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 3kb9 h ASP 241 CO -0.16 0.35 0.20 0.25 -3.12 0.00 0.00 179.24 176.76 3kb9 h LEU 242 N 0.63 0.47 0.00 1.55 5.85 -0.64 -2.03 115.31 121.15 3kb9 h LEU 242 Ca 0.25 -0.10 -0.22 0.00 0.84 0.00 0.00 57.88 58.65 3kb9 h LEU 242 Cb 0.09 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3kb9 h LEU 242 CO -0.13 0.44 -1.10 0.00 -0.34 0.00 0.00 178.44 177.30 3kb9 n SER 244 N -3.32 1.33 -0.18 0.00 3.41 0.13 -4.37 113.62 110.62 3kb9 n SER 244 Ca -0.02 -1.24 -0.01 0.00 -0.26 0.00 0.00 58.87 57.33 3kb9 n SER 244 Cb 0.96 0.07 0.09 0.00 -0.26 0.00 0.00 64.21 65.06 3kb9 n SER 244 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kb9 h LEU 245 N 1.90 0.20 -0.48 1.04 5.85 -1.43 -0.70 115.31 121.68 3kb9 h LEU 245 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3kb9 h LEU 245 Cb 0.52 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3kb9 h LEU 245 CO 0.00 0.13 0.27 -0.65 -0.34 0.00 0.00 178.44 177.85 3kb9 h PRO 246 N 0.38 0.66 -0.32 5.25 0.11 -1.85 0.82 132.00 137.06 3kb9 h PRO 246 Ca 0.28 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.26 3kb9 h PRO 246 Cb 0.32 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3kb9 h PRO 246 CO -0.28 0.52 -0.04 -0.22 -0.21 0.00 0.00 178.00 177.77 3kb9 h LYS 247 N 0.63 0.51 -0.14 1.05 3.64 -1.76 -1.98 116.57 118.52 3kb9 h LYS 247 Ca 0.17 -0.12 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 3kb9 h LYS 247 Cb 0.04 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3kb9 h LYS 247 CO -0.03 0.56 -0.53 0.93 -2.27 0.00 0.00 179.45 178.11 3kb9 h GLU 248 N 0.48 0.60 -0.65 1.90 5.08 -0.60 -0.89 114.58 120.51 3kb9 h GLU 248 Ca 0.10 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3kb9 h GLU 248 Cb 0.37 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3kb9 h GLU 248 CO 0.02 1.08 0.42 0.82 -1.00 0.00 0.00 179.01 180.35 3kb9 h ILE 249 N 0.25 1.17 -0.20 3.13 2.04 -0.78 -0.08 117.51 123.04 3kb9 h ILE 249 Ca -0.03 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 3kb9 h ILE 249 Cb 1.16 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3kb9 h ILE 249 CO 0.11 0.17 -0.03 0.00 0.00 0.00 0.00 178.15 178.41 3kb9 h ALA 250 N 1.22 1.59 -0.60 1.87 0.00 -1.20 -2.72 119.26 119.42 3kb9 h ALA 250 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kb9 h ALA 250 Cb -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kb9 h ALA 250 CO -0.05 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.91 3kb9 n GLY 251 N -1.07 2.00 2.41 0.00 0.00 -0.35 -4.03 105.19 104.16 3kb9 n GLY 251 Ca -0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 3kb9 n GLY 251 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kb9 n ASP 252 N 1.21 -5.35 -4.74 1.61 8.00 -0.60 -4.97 116.55 111.70 3kb9 n ASP 252 Ca 0.21 0.10 -0.41 0.00 0.71 0.00 0.00 54.79 55.40 3kb9 n ASP 252 Cb 0.59 -4.51 -0.04 0.00 -0.02 0.00 0.00 41.12 37.13 3kb9 n ASP 252 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3kb9 s GLU 253 N -4.84 4.59 0.00 -1.24 2.56 -0.14 -4.95 118.70 114.68 3kb9 s GLU 253 Ca 0.00 1.77 0.15 0.00 0.00 0.00 0.00 54.97 56.89 3kb9 s GLU 253 Cb 0.00 -3.24 -0.05 0.00 2.00 0.00 0.00 34.13 32.84 3kb9 s GLU 253 CO 0.00 0.09 0.75 1.33 -0.56 0.00 0.00 175.26 176.87 3kb9 n VAL 254 N 2.02 0.00 -3.26 3.70 0.24 -1.26 -4.50 118.33 115.27 3kb9 n VAL 254 Ca 0.02 -0.29 -0.44 0.00 -2.04 0.00 0.00 64.34 61.59 3kb9 n VAL 254 Cb 0.45 1.12 -0.07 0.00 -1.47 0.00 0.00 33.84 33.88 3kb9 n VAL 254 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3kb9 s HIS 255 N -1.96 3.14 -0.30 6.34 3.76 -1.26 -4.64 115.29 120.37 3kb9 s HIS 255 Ca 0.10 -0.73 -0.17 0.00 -0.15 0.00 0.00 55.06 54.11 3kb9 s HIS 255 Cb 0.12 -3.39 0.19 0.00 1.11 0.00 0.00 32.58 30.60 3kb9 s HIS 255 CO 0.44 -0.94 1.21 1.21 -0.85 0.00 0.00 174.74 175.81 3kb9 s ASN 256 N 2.69 -0.17 0.32 1.40 3.84 -1.26 -5.02 114.94 116.75 3kb9 s ASN 256 Ca 0.10 0.27 0.04 0.00 0.21 0.00 0.00 52.86 53.49 3kb9 s ASN 256 Cb -0.22 0.99 0.67 0.00 -0.55 0.00 0.00 41.25 42.14 3kb9 s ASN 256 CO 0.09 -0.04 1.88 0.25 -2.79 0.00 0.00 177.10 176.49 3kb9 h LEU 257 N 5.17 0.79 -0.78 3.21 5.85 -1.92 -1.01 115.31 126.62 3kb9 h LEU 257 Ca -0.27 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3kb9 h LEU 257 Cb 1.17 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3kb9 h LEU 257 CO 0.22 0.45 0.46 1.23 -0.34 0.00 0.00 178.44 180.47 3kb9 h GLY 258 N 0.87 1.15 1.30 3.75 0.00 -1.89 -1.26 103.07 106.98 3kb9 h GLY 258 Ca 0.43 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 3kb9 h GLY 258 CO -0.19 0.47 -0.35 -2.22 0.00 0.00 0.00 176.54 174.24 3kb9 h ILE 259 N 1.08 1.28 -0.61 2.60 2.04 -1.54 -0.15 117.51 122.21 3kb9 h ILE 259 Ca 0.28 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 3kb9 h ILE 259 Cb -0.02 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3kb9 h ILE 259 CO -0.05 0.50 0.21 0.28 0.00 0.00 0.00 178.15 179.09 3kb9 h SER 260 N 0.64 0.84 -0.27 1.72 0.02 -1.11 -0.78 113.55 114.60 3kb9 h SER 260 Ca 0.06 -0.13 -0.17 0.00 -0.84 0.00 0.00 61.79 60.71 3kb9 h SER 260 Cb 0.90 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 3kb9 h SER 260 CO 0.08 0.77 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.97 3kb9 h LEU 261 N 0.89 0.93 -0.70 5.07 3.38 -0.84 -0.51 115.31 123.53 3kb9 h LEU 261 Ca 0.20 -0.48 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 3kb9 h LEU 261 Cb 0.22 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3kb9 h LEU 261 CO -0.01 1.27 0.07 0.40 0.09 0.00 0.00 178.44 180.26 3kb9 h ILE 262 N 0.67 1.26 0.16 1.22 2.04 -0.84 -1.48 117.51 120.54 3kb9 h ILE 262 Ca 0.03 -1.07 -0.29 0.00 1.00 0.00 0.00 64.86 64.53 3kb9 h ILE 262 Cb 1.09 0.69 0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3kb9 h ILE 262 CO 0.11 0.40 -1.29 0.74 0.00 0.00 0.00 178.15 178.10 3kb9 h THR 263 N 1.00 1.41 0.00 -0.27 2.02 -1.07 -3.19 112.91 112.80 3kb9 h THR 263 Ca 0.19 -2.86 0.00 0.00 0.77 0.00 0.00 66.41 64.52 3kb9 h THR 263 Cb 0.47 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 3kb9 h THR 263 CO 0.02 0.84 -0.42 1.41 0.37 0.00 0.00 175.52 177.75 3kb9 n HIS 264 N -3.63 0.00 0.01 3.16 8.25 -0.21 -4.52 115.22 118.29 3kb9 n HIS 264 Ca -0.11 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.35 3kb9 n HIS 264 Cb 1.03 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 32.14 3kb9 n HIS 264 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3kb9 n HIS 265 N -1.22 0.04 -3.49 4.41 8.25 -0.56 -5.00 115.22 117.65 3kb9 n HIS 265 Ca 0.01 -0.29 -0.26 0.00 -0.26 0.00 0.00 57.72 56.92 3kb9 n HIS 265 Cb 0.11 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.21 3kb9 n HIS 265 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kb9 n SER 266 N -0.17 -4.56 -4.82 0.41 7.64 -1.18 -4.96 113.62 105.97 3kb9 n SER 266 Ca 0.01 -0.50 -0.35 0.00 1.01 0.00 0.00 58.87 59.04 3kb9 n SER 266 Cb 0.17 -3.71 -0.06 0.00 -1.01 0.00 0.00 64.21 59.60 3kb9 n SER 266 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kb9 s LEU 267 N -6.80 4.17 0.95 -3.43 1.02 -1.17 -5.02 118.68 108.39 3kb9 s LEU 267 Ca 0.47 1.56 -0.12 0.00 0.02 0.00 0.00 54.13 56.06 3kb9 s LEU 267 Cb -0.24 -4.06 0.16 0.00 0.02 0.00 0.00 46.19 42.07 3kb9 s LEU 267 CO 0.58 -0.15 1.11 0.42 0.02 0.00 0.00 176.35 178.34 3kb9 s THR 268 N -1.83 2.09 0.19 5.49 -4.23 -1.26 -4.44 115.64 111.65 3kb9 s THR 268 Ca 0.52 0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.94 3kb9 s THR 268 Cb -0.14 -2.65 0.10 0.00 1.34 0.00 0.00 72.50 71.15 3kb9 s THR 268 CO 0.19 -0.04 1.80 0.25 -0.54 0.00 0.00 174.62 176.28 3kb9 h LEU 269 N -1.67 0.47 -0.50 4.79 5.85 -1.97 0.63 115.31 122.90 3kb9 h LEU 269 Ca -0.52 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.23 3kb9 h LEU 269 Cb 1.33 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 3kb9 h LEU 269 CO 0.60 0.32 0.33 -0.33 -0.34 0.00 0.00 178.44 179.01 3kb9 h GLU 270 N 0.60 0.65 -0.64 1.25 3.07 -2.00 -0.57 114.58 116.95 3kb9 h GLU 270 Ca 0.24 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.00 3kb9 h GLU 270 Cb 0.12 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 3kb9 h GLU 270 CO -0.15 0.43 0.13 0.93 -1.40 0.00 0.00 179.01 178.96 3kb9 h GLU 271 N 0.67 1.03 -0.24 2.33 5.08 -1.81 -2.36 114.58 119.28 3kb9 h GLU 271 Ca 0.18 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3kb9 h GLU 271 Cb -0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3kb9 h GLU 271 CO -0.04 0.94 0.07 0.00 -1.00 0.00 0.00 179.01 178.98 3kb9 h ALA 272 N 1.04 0.32 -0.46 3.43 0.00 -0.46 -1.28 119.26 121.85 3kb9 h ALA 272 Ca 0.20 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3kb9 h ALA 272 Cb 0.39 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3kb9 h ALA 272 CO 0.01 -0.05 0.09 0.82 0.00 0.00 0.00 179.25 180.11 3kb9 h ILE 273 N 0.22 0.74 -0.86 0.00 2.04 -1.06 0.13 117.51 118.71 3kb9 h ILE 273 Ca 0.08 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3kb9 h ILE 273 Cb 0.24 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 3kb9 h ILE 273 CO -0.00 0.04 0.57 1.23 0.00 0.00 0.00 178.15 179.98 3kb9 h GLY 274 N 0.22 1.22 1.06 5.37 0.00 -1.16 -0.93 103.07 108.85 3kb9 h GLY 274 Ca 0.23 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 3kb9 h GLY 274 CO -0.31 0.42 -0.30 -2.09 0.00 0.00 0.00 176.54 174.26 3kb9 h GLU 275 N 1.14 0.86 -0.41 4.80 4.57 -0.62 -1.63 114.58 123.30 3kb9 h GLU 275 Ca 0.32 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 3kb9 h GLU 275 Cb -0.09 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 3kb9 h GLU 275 CO -0.08 1.07 0.21 0.28 -1.18 0.00 0.00 179.01 179.32 3kb9 h VAL 276 N 0.66 1.16 -0.47 0.32 2.07 -0.85 -1.55 116.25 117.59 3kb9 h VAL 276 Ca 0.07 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.25 3kb9 h VAL 276 Cb 0.89 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 3kb9 h VAL 276 CO 0.08 0.17 -0.00 0.03 0.02 0.00 0.00 177.57 177.87 3kb9 h ARG 277 N 0.53 0.11 -0.78 1.57 3.08 -1.10 -0.29 114.38 117.48 3kb9 h ARG 277 Ca 0.14 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.22 3kb9 h ARG 277 Cb 0.08 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 3kb9 h ARG 277 CO -0.02 0.07 0.50 -0.09 -1.07 0.00 0.00 179.97 179.36 3kb9 h ARG 278 N 0.11 0.94 -0.52 0.04 2.43 -1.02 0.57 114.38 116.94 3kb9 h ARG 278 Ca 0.24 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 3kb9 h ARG 278 Cb 0.35 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3kb9 h ARG 278 CO -0.39 0.62 0.08 0.00 -1.51 0.00 0.00 179.97 178.76 3kb9 h ARG 279 N 0.97 0.87 -0.45 0.20 3.08 -0.70 -1.68 114.38 116.67 3kb9 h ARG 279 Ca 0.31 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3kb9 h ARG 279 Cb 0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3kb9 h ARG 279 CO -0.11 0.86 0.27 0.28 -1.07 0.00 0.00 179.97 180.20 3kb9 h VAL 280 N 0.75 1.14 -0.34 2.04 2.07 -0.50 -2.32 116.25 119.09 3kb9 h VAL 280 Ca 0.16 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 3kb9 h VAL 280 Cb 0.41 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3kb9 h VAL 280 CO 0.01 0.14 -0.07 -0.33 0.02 0.00 0.00 177.57 177.34 3kb9 h GLU 281 N 0.60 0.56 -0.23 1.57 5.08 -0.69 -1.97 114.58 119.50 3kb9 h GLU 281 Ca 0.16 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3kb9 h GLU 281 Cb -0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3kb9 h GLU 281 CO -0.03 0.64 -0.28 1.49 -1.00 0.00 0.00 179.01 179.83 3kb9 h GLU 282 N 0.53 0.46 -0.92 2.33 4.81 -1.07 -2.34 114.58 118.37 3kb9 h GLU 282 Ca 0.10 -0.18 0.09 0.00 -0.13 0.00 0.00 59.36 59.24 3kb9 h GLU 282 Cb 0.45 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 3kb9 h GLU 282 CO 0.02 0.70 0.57 0.00 -0.73 0.00 0.00 179.01 179.57 3kb9 h ILE 284 N 0.96 1.06 0.00 0.00 2.04 -1.23 0.44 117.51 120.78 3kb9 h ILE 284 Ca 0.43 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.82 3kb9 h ILE 284 Cb 0.34 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3kb9 h ILE 284 CO -0.23 0.09 -0.57 0.71 0.00 0.00 0.00 178.15 178.16 3kb9 h THR 285 N -0.22 1.15 -0.66 -0.27 1.35 -1.37 -0.96 112.91 111.94 3kb9 h THR 285 Ca -0.01 -2.13 -0.07 0.00 -0.55 0.00 0.00 66.41 63.65 3kb9 h THR 285 Cb 0.19 2.24 -0.03 0.00 -1.73 0.00 0.00 68.15 68.83 3kb9 h THR 285 CO 0.01 0.55 0.13 -0.33 -0.25 0.00 0.00 175.52 175.63 3kb9 h GLU 286 N 0.00 1.07 -0.58 4.72 5.08 -0.97 -2.78 114.58 121.12 3kb9 h GLU 286 Ca -0.01 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3kb9 h GLU 286 Cb 1.20 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 3kb9 h GLU 286 CO 0.07 0.98 0.28 0.35 -1.00 0.00 0.00 179.01 179.69 3kb9 h PHE 287 N 0.99 0.84 -0.94 4.33 3.57 -0.48 -1.99 116.94 123.25 3kb9 h PHE 287 Ca 0.20 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.72 3kb9 h PHE 287 Cb 0.41 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.83 3kb9 h PHE 287 CO 0.03 0.64 0.61 -0.07 -2.23 0.00 0.00 178.31 177.29 3kb9 h LEU 288 N 0.79 0.98 -0.12 0.59 3.38 -1.10 0.22 115.31 120.04 3kb9 h LEU 288 Ca 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3kb9 h LEU 288 Cb 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3kb9 h LEU 288 CO -0.03 0.64 -0.02 0.00 0.09 0.00 0.00 178.44 179.13 3kb9 h ALA 289 N 1.48 0.17 0.00 1.53 0.00 -1.25 -3.20 119.26 117.99 3kb9 h ALA 289 Ca 0.39 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3kb9 h ALA 289 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3kb9 h ALA 289 CO -0.14 -0.10 -0.38 -0.24 0.00 0.00 0.00 179.25 178.38 3kb9 h VAL 290 N -0.07 0.79 -0.84 0.00 3.04 -0.92 -2.86 116.25 115.40 3kb9 h VAL 290 Ca 0.03 -1.67 0.07 0.00 -1.01 0.00 0.00 66.70 64.12 3kb9 h VAL 290 Cb 0.42 2.07 -0.06 0.00 -2.01 0.00 0.00 31.29 31.71 3kb9 h VAL 290 CO 0.01 0.38 0.55 -0.08 -1.01 0.00 0.00 177.57 177.41 3kb9 h GLU 291 N 0.00 0.86 -0.82 4.17 4.81 -0.58 0.11 114.58 123.13 3kb9 h GLU 291 Ca -0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3kb9 h GLU 291 Cb 1.04 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 3kb9 h GLU 291 CO 0.05 0.57 0.41 0.00 -0.73 0.00 0.00 179.01 179.31 3kb9 h ARG 292 N 0.89 1.17 -0.21 1.92 3.08 -1.50 -0.47 114.38 119.25 3kb9 h ARG 292 Ca 0.37 -0.16 -0.17 0.00 0.07 0.00 0.00 59.98 60.09 3kb9 h ARG 292 Cb 0.29 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3kb9 h ARG 292 CO -0.14 0.88 -0.57 -0.44 -1.07 0.00 0.00 179.97 178.64 3kb9 h ASP 293 N 1.16 0.74 -0.04 7.04 3.32 -1.10 -1.39 116.42 126.14 3kb9 h ASP 293 Ca 0.29 -0.41 -0.15 0.00 0.02 0.00 0.00 57.03 56.78 3kb9 h ASP 293 Cb 0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3kb9 h ASP 293 CO -0.04 1.15 -0.46 0.00 -1.72 0.00 0.00 179.24 178.17 3kb9 h ALA 294 N 0.86 0.76 -0.03 3.45 0.00 -0.43 -1.46 119.26 122.41 3kb9 h ALA 294 Ca 0.01 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 3kb9 h ALA 294 Cb 1.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3kb9 h ALA 294 CO 0.11 0.67 -0.68 -0.07 0.00 0.00 0.00 179.25 179.28 3kb9 h LEU 295 N 0.48 0.17 -0.78 0.00 3.38 -1.07 -1.83 115.31 115.65 3kb9 h LEU 295 Ca 0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kb9 h LEU 295 Cb 0.99 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 3kb9 h LEU 295 CO 0.09 0.79 0.38 -0.09 0.09 0.00 0.00 178.44 179.71 3kb9 h ARG 296 N 0.10 1.11 -0.39 1.13 2.43 -1.00 -1.58 114.38 116.17 3kb9 h ARG 296 Ca -0.01 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 3kb9 h ARG 296 Cb 1.21 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3kb9 h ARG 296 CO 0.10 0.86 0.17 0.35 -1.51 0.00 0.00 179.97 179.94 3kb9 h PHE 297 N 1.09 0.58 -0.84 2.20 3.57 -1.06 -0.27 116.94 122.21 3kb9 h PHE 297 Ca 0.27 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.85 3kb9 h PHE 297 Cb 0.10 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 38.59 3kb9 h PHE 297 CO 0.01 0.50 0.47 0.00 -2.23 0.00 0.00 178.31 177.05 3kb9 h ALA 298 N 1.02 1.23 -0.48 2.41 0.00 -1.07 -1.23 119.26 121.14 3kb9 h ALA 298 Ca 0.13 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kb9 h ALA 298 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3kb9 h ALA 298 CO -0.01 0.04 0.15 -0.44 0.00 0.00 0.00 179.25 178.99 3kb9 h ASP 299 N 0.74 0.69 0.15 0.00 3.32 -0.33 -2.86 116.42 118.13 3kb9 h ASP 299 Ca 0.42 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 3kb9 h ASP 299 Cb 0.47 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3kb9 h ASP 299 CO -0.29 0.71 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.42 3kb9 h GLU 300 N 0.64 0.09 0.00 3.56 5.08 -0.25 -1.70 114.58 121.99 3kb9 h GLU 300 Ca 0.15 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3kb9 h GLU 300 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3kb9 h GLU 300 CO -0.01 0.28 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.01 3kb9 h LEU 301 N 0.08 0.00 -7.86 1.33 3.38 -1.02 -3.35 115.31 107.87 3kb9 h LEU 301 Ca 0.02 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.30 3kb9 h LEU 301 Cb 0.39 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 3kb9 h LEU 301 CO 0.03 0.21 2.02 0.00 0.09 0.00 0.00 178.44 180.78 3kb9 s ALA 302 N -4.12 3.37 -1.38 1.53 0.00 -0.64 -4.35 121.76 116.17 3kb9 s ALA 302 Ca -0.02 -2.93 0.20 0.00 0.00 0.00 0.00 51.96 49.20 3kb9 s ALA 302 Cb 0.13 -4.56 0.72 0.00 0.00 0.00 0.00 23.12 19.41 3kb9 s ALA 302 CO 0.64 -3.24 1.62 -0.40 0.00 0.00 0.00 175.76 174.37 3kb9 n ASP 303 N 8.02 4.62 0.00 0.00 5.68 -1.26 -4.90 116.55 128.71 3kb9 n ASP 303 Ca 0.46 -2.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 3kb9 n ASP 303 Cb 0.46 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 3kb9 n ASP 303 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kb9 n GLY 304 N 1.32 2.09 3.89 6.12 0.00 -1.26 -5.08 105.19 112.27 3kb9 n GLY 304 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 3kb9 n GLY 304 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kb9 s THR 305 N -2.43 4.68 0.09 2.61 -4.23 -1.26 -4.96 115.64 110.14 3kb9 s THR 305 Ca 0.00 0.53 -0.19 0.00 -1.18 0.00 0.00 61.69 60.85 3kb9 s THR 305 Cb 0.00 -3.83 -0.08 0.00 1.34 0.00 0.00 72.50 69.94 3kb9 s THR 305 CO 0.00 -0.97 1.61 0.58 -0.54 0.00 0.00 174.62 175.30 3kb9 h VAL 306 N -0.11 1.19 -0.50 2.29 2.07 -1.99 -1.45 116.25 117.76 3kb9 h VAL 306 Ca -0.45 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3kb9 h VAL 306 Cb 1.20 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3kb9 h VAL 306 CO 0.62 0.20 0.21 -0.09 0.02 0.00 0.00 177.57 178.53 3kb9 h ARG 307 N 0.21 0.73 -0.87 1.57 9.65 -1.97 -1.78 114.38 121.92 3kb9 h ARG 307 Ca 0.08 -0.12 0.02 0.00 -1.10 0.00 0.00 59.98 58.85 3kb9 h ARG 307 Cb 0.23 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.64 3kb9 h ARG 307 CO -0.00 0.64 0.57 0.78 2.80 0.00 0.00 179.97 184.76 3kb9 h GLY 308 N 0.66 1.25 1.00 2.80 0.00 -1.75 -0.24 103.07 106.79 3kb9 h GLY 308 Ca 0.17 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3kb9 h GLY 308 CO -0.02 0.41 0.25 1.70 0.00 0.00 0.00 176.54 178.89 3kb9 h LYS 309 N 1.14 0.94 0.02 4.80 3.64 -1.00 0.23 116.57 126.35 3kb9 h LYS 309 Ca 0.33 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3kb9 h LYS 309 Cb -0.07 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3kb9 h LYS 309 CO -0.09 0.79 -0.01 1.49 -2.27 0.00 0.00 179.45 179.36 3kb9 h GLU 310 N 0.89 -0.03 -0.42 1.90 4.81 -0.74 -0.81 114.58 120.17 3kb9 h GLU 310 Ca 0.21 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3kb9 h GLU 310 Cb 0.20 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3kb9 h GLU 310 CO -0.02 0.04 0.06 -0.07 -0.73 0.00 0.00 179.01 178.29 3kb9 h LEU 311 N -0.09 0.68 -0.34 1.64 3.38 -0.89 -1.43 115.31 118.26 3kb9 h LEU 311 Ca -0.00 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.75 3kb9 h LEU 311 Cb 0.08 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3kb9 h LEU 311 CO 0.01 0.78 0.02 -1.28 0.09 0.00 0.00 178.44 178.05 3kb9 h SER 312 N 0.56 -0.10 -0.49 -0.43 0.87 -0.45 -0.55 113.55 112.95 3kb9 h SER 312 Ca 0.13 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3kb9 h SER 312 Cb 0.40 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3kb9 h SER 312 CO 0.01 -0.01 0.07 1.23 -0.53 0.00 0.00 176.83 177.60 3kb9 h GLY 313 N 0.12 0.94 0.59 5.77 0.00 -0.91 -0.57 103.07 109.00 3kb9 h GLY 313 Ca 0.16 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3kb9 h GLY 313 CO -0.26 0.55 -0.06 0.00 0.00 0.00 0.00 176.54 176.77 3kb9 h ALA 314 N 1.25 0.08 -0.53 3.60 0.00 -0.96 -0.66 119.26 122.04 3kb9 h ALA 314 Ca 0.17 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kb9 h ALA 314 Cb 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3kb9 h ALA 314 CO 0.01 -0.11 0.29 0.28 0.00 0.00 0.00 179.25 179.72 3kb9 h VAL 315 N -0.32 0.98 -0.64 0.00 2.07 -1.04 0.51 116.25 117.80 3kb9 h VAL 315 Ca 0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3kb9 h VAL 315 Cb 0.58 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3kb9 h VAL 315 CO 0.02 0.10 0.37 -0.09 0.02 0.00 0.00 177.57 177.99 3kb9 h ARG 316 N 0.56 0.88 -0.49 1.57 2.43 -1.01 0.46 114.38 118.77 3kb9 h ARG 316 Ca 0.23 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3kb9 h ARG 316 Cb 0.11 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3kb9 h ARG 316 CO -0.14 0.65 0.07 0.00 -1.51 0.00 0.00 179.97 179.04 3kb9 h ALA 317 N 1.18 0.65 -0.36 2.80 0.00 -0.83 -0.59 119.26 122.12 3kb9 h ALA 317 Ca 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kb9 h ALA 317 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kb9 h ALA 317 CO -0.04 0.39 0.14 -0.91 0.00 0.00 0.00 179.25 178.83 3kb9 h ASN 318 N 0.68 0.50 -0.20 0.00 -0.26 -0.47 -1.05 115.58 114.79 3kb9 h ASN 318 Ca 0.15 -0.17 -0.07 0.00 -0.56 0.00 0.00 56.30 55.64 3kb9 h ASN 318 Cb 0.40 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 3kb9 h ASN 318 CO 0.01 0.54 -0.10 0.58 -1.06 0.00 0.00 177.43 177.39 3kb9 h VAL 319 N 0.44 1.23 -0.97 2.81 2.07 -0.85 0.49 116.25 121.47 3kb9 h VAL 319 Ca 0.12 -1.03 0.06 0.00 0.82 0.00 0.00 66.70 66.67 3kb9 h VAL 319 Cb 0.19 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 3kb9 h VAL 319 CO -0.01 0.34 0.63 1.23 0.02 0.00 0.00 177.57 179.78 3kb9 h GLY 320 N 0.94 1.44 1.95 2.17 0.00 -0.70 -2.10 103.07 106.76 3kb9 h GLY 320 Ca 0.10 -0.46 -0.21 0.00 0.00 0.00 0.00 47.33 46.76 3kb9 h GLY 320 CO 0.03 0.35 -0.97 3.43 0.00 0.00 0.00 176.54 179.38 3kb9 h ASN 321 N 1.16 0.06 -1.00 0.19 2.35 -0.28 -1.07 115.58 116.98 3kb9 h ASN 321 Ca 0.41 -0.06 0.07 0.00 -0.55 0.00 0.00 56.30 56.17 3kb9 h ASN 321 Cb 0.12 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.40 3kb9 h ASN 321 CO -0.15 0.99 0.64 0.24 -1.65 0.00 0.00 177.43 177.51 3kb9 h MET 322 N 0.01 1.12 -0.35 0.81 2.86 -0.63 -1.03 114.93 117.73 3kb9 h MET 322 Ca -0.02 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 3kb9 h MET 322 Cb 1.69 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 33.09 3kb9 h MET 322 CO 0.13 0.74 -0.09 -0.09 1.06 0.00 0.00 176.91 178.66 3kb9 h ARG 323 N 1.16 0.68 0.00 1.72 2.43 -1.17 -3.18 114.38 116.02 3kb9 h ARG 323 Ca 0.43 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3kb9 h ARG 323 Cb 0.19 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3kb9 h ARG 323 CO -0.18 0.84 -0.06 -0.91 -1.51 0.00 0.00 179.97 178.15 3kb9 h ASN 324 N 0.46 0.00 -0.33 -3.80 2.35 -0.37 -2.40 115.58 111.50 3kb9 h ASN 324 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3kb9 h ASN 324 Cb 0.60 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3kb9 h ASN 324 CO 0.04 0.06 0.14 -0.25 -1.65 0.00 0.00 177.43 175.77 3kb9 h TRP 325 N 0.00 0.54 0.15 1.19 -0.00 -1.19 -1.15 115.95 115.49 3kb9 h TRP 325 Ca -0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.87 3kb9 h TRP 325 Cb 0.13 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.11 3kb9 h TRP 325 CO 0.00 0.44 -0.16 0.74 -0.00 0.00 0.00 178.44 179.45 3kb9 h PHE 326 N 0.54 -0.42 -0.29 2.65 0.04 -1.56 -0.01 116.94 117.89 3kb9 h PHE 326 Ca 0.13 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.74 3kb9 h PHE 326 Cb 0.13 0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 3kb9 h PHE 326 CO 0.01 -0.24 -0.49 0.66 -0.60 0.00 0.00 178.31 177.64 3kb9 h SER 327 N -0.35 0.87 -0.35 2.17 4.64 -1.59 -1.45 113.55 117.49 3kb9 h SER 327 Ca 0.01 -0.44 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 3kb9 h SER 327 Cb 0.33 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3kb9 h SER 327 CO -0.05 1.21 0.05 -1.28 -0.87 0.00 0.00 176.83 175.90 3kb9 h SER 328 N 0.63 0.57 -0.47 4.97 0.87 -1.12 -1.62 113.55 117.37 3kb9 h SER 328 Ca 0.03 -0.26 -0.13 0.00 -1.23 0.00 0.00 61.79 60.19 3kb9 h SER 328 Cb 1.07 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 3kb9 h SER 328 CO 0.11 0.69 -0.22 0.58 -0.53 0.00 0.00 176.83 177.46 3kb9 h VAL 329 N 0.43 1.27 0.16 2.23 2.07 -1.01 -0.72 116.25 120.67 3kb9 h VAL 329 Ca 0.11 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.26 3kb9 h VAL 329 Cb 0.37 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3kb9 h VAL 329 CO 0.01 0.47 -0.35 0.22 0.02 0.00 0.00 177.57 177.95 3kb9 h TYR 330 N 0.83 -0.95 -0.14 1.57 3.20 -1.07 -2.77 116.97 117.64 3kb9 h TYR 330 Ca 0.11 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 3kb9 h TYR 330 Cb 0.80 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3kb9 h TYR 330 CO 0.05 -0.46 -0.52 -1.49 -1.64 0.00 0.00 178.16 174.11 3kb9 h TRP 331 N -0.60 0.49 -0.91 -3.82 4.06 -1.23 -2.95 115.95 111.00 3kb9 h TRP 331 Ca 0.02 -0.17 0.16 0.00 2.06 0.00 0.00 58.89 60.96 3kb9 h TRP 331 Cb 0.61 -0.10 -0.10 0.00 -1.00 0.00 0.00 29.16 28.58 3kb9 h TRP 331 CO -0.29 0.83 0.50 0.35 -3.56 0.00 0.00 178.44 176.28 3kb9 h PHE 332 N 0.31 0.89 0.00 0.49 3.57 -1.03 -0.35 116.94 120.81 3kb9 h PHE 332 Ca 0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3kb9 h PHE 332 Cb 1.02 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 3kb9 h PHE 332 CO 0.03 0.22 -0.14 0.45 -2.23 0.00 0.00 178.31 176.64 3kb9 h HIS 333 N 0.70 0.00 0.00 0.41 3.86 -1.31 0.69 115.15 119.50 3kb9 h HIS 333 Ca 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 3kb9 h HIS 333 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 3kb9 h HIS 333 CO -0.06 0.14 -1.11 0.72 0.86 0.00 0.00 177.93 178.48 3kb9 n HIS 334 N -3.35 0.80 -0.09 2.45 8.25 -0.29 -4.41 115.22 118.57 3kb9 n HIS 334 Ca -0.00 0.23 -0.13 0.00 -0.26 0.00 0.00 57.72 57.56 3kb9 n HIS 334 Cb 0.35 -0.87 -0.14 0.00 1.12 0.00 0.00 29.99 30.45 3kb9 n HIS 334 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3kb9 n GLU 335 N -2.56 0.68 -2.28 -0.41 1.02 -0.32 -4.99 120.64 111.77 3kb9 n GLU 335 Ca -0.00 0.09 -0.41 0.00 -0.02 0.00 0.00 57.16 56.82 3kb9 n GLU 335 Cb 0.54 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 3kb9 n GLU 335 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kb9 s SER 336 N -5.98 6.98 0.55 1.62 0.15 0.20 -4.90 113.70 112.32 3kb9 s SER 336 Ca -0.18 2.36 0.32 0.00 0.70 0.00 0.00 55.95 59.15 3kb9 s SER 336 Cb 0.07 -2.61 1.77 0.00 -1.71 0.00 0.00 66.02 63.54 3kb9 s SER 336 CO 0.75 -0.45 1.99 1.23 1.20 0.00 0.00 173.24 177.96 3kb9 h GLY 337 N 5.03 0.00 1.51 9.45 0.00 -0.88 -3.16 103.07 115.02 3kb9 h GLY 337 Ca -0.45 0.00 0.05 0.00 0.00 0.00 0.00 47.33 46.93 3kb9 h GLY 337 CO 0.74 0.00 0.21 -0.09 0.00 0.00 0.00 176.54 177.40 3kb9 h ARG 338 N 0.00 0.17 -0.28 4.80 2.43 -1.82 -2.72 114.38 116.95 3kb9 h ARG 338 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kb9 h ARG 338 Cb 0.21 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3kb9 h ARG 338 CO 0.00 0.11 0.00 0.66 -1.51 0.00 0.00 179.97 179.23 3kb9 n TYR 339 N -4.48 0.37 -1.20 2.20 4.01 -1.19 -4.76 117.16 112.10 3kb9 n TYR 339 Ca 0.03 -0.28 -0.27 0.00 -0.16 0.00 0.00 57.90 57.22 3kb9 n TYR 339 Cb 0.25 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.18 3kb9 n TYR 339 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3kb9 n MET 340 N 0.89 2.94 0.26 -0.72 2.81 -1.03 -4.66 117.12 117.62 3kb9 n MET 340 Ca 0.13 -1.71 0.08 0.00 -1.81 0.00 0.00 57.70 54.39 3kb9 n MET 340 Cb 0.45 -2.42 0.64 0.00 -0.71 0.00 0.00 33.22 31.17 3kb9 n MET 340 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 3kb9 h VAL 341 N 2.52 0.99 0.00 2.03 3.04 -1.86 -1.19 116.25 121.77 3kb9 h VAL 341 Ca 0.56 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 66.13 3kb9 h VAL 341 Cb 0.84 1.06 -0.00 0.00 -2.01 0.00 0.00 31.29 31.18 3kb9 h VAL 341 CO 1.06 0.03 -0.03 0.44 -1.01 0.00 0.00 177.57 178.07 3kb9 h ASP 342 N 0.00 0.00 0.33 3.17 3.32 -1.99 -2.00 116.42 119.25 3kb9 h ASP 342 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kb9 h ASP 342 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3kb9 h ASP 342 CO 0.00 0.03 -0.27 -1.54 -1.72 0.00 0.00 179.24 175.74 3kb9 n SER 343 N -3.24 0.80 -4.85 6.45 3.41 -0.45 -4.90 113.62 110.83 3kb9 n SER 343 Ca -0.02 -0.68 -0.36 0.00 -0.26 0.00 0.00 58.87 57.55 3kb9 n SER 343 Cb 0.18 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 3kb9 n SER 343 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3kb9 s TRP 344 N -2.60 3.66 0.12 7.33 0.51 -0.75 -4.99 118.94 122.21 3kb9 s TRP 344 Ca 0.22 0.97 -0.15 0.00 -2.12 0.00 0.00 56.10 55.02 3kb9 s TRP 344 Cb 0.19 -2.28 -0.03 0.00 -0.81 0.00 0.00 33.47 30.53 3kb9 s TRP 344 CO 0.54 0.54 1.54 -0.44 -0.51 0.00 0.00 176.95 178.62 3kb9 h ASP 345 N 4.06 0.71 -3.55 2.95 3.32 -1.90 -3.37 116.42 118.64 3kb9 h ASP 345 Ca -0.50 -0.35 -0.70 0.00 0.02 0.00 0.00 57.03 55.51 3kb9 h ASP 345 Cb 1.20 -0.19 -0.32 0.00 0.22 0.00 0.00 39.33 40.24 3kb9 h ASP 345 CO 0.64 0.89 -0.57 -0.62 -1.72 0.00 0.00 179.24 177.87 3kb9 s ASP 346 N -6.29 5.26 0.60 6.45 2.15 -1.26 -4.96 116.67 118.62 3kb9 s ASP 346 Ca -0.13 -1.71 0.39 0.00 0.43 0.00 0.00 52.55 51.54 3kb9 s ASP 346 Cb 0.10 -1.84 2.02 0.00 -0.30 0.00 0.00 42.92 42.90 3kb9 s ASP 346 CO 0.80 -0.47 2.20 0.03 -0.17 0.00 0.00 175.17 177.56 3kb9 h ARG 347 N 8.13 0.00 0.00 4.34 3.08 -1.87 -1.84 114.38 126.21 3kb9 h ARG 347 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3kb9 h ARG 347 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3kb9 h ARG 347 CO 0.67 0.00 -0.26 -1.13 -1.07 0.00 0.00 179.97 178.18 3kb9 n SER 348 N -2.99 0.27 -3.67 7.04 3.41 -1.26 -4.41 113.62 112.02 3kb9 n SER 348 Ca -0.02 0.12 -0.30 0.00 -0.26 0.00 0.00 58.87 58.41 3kb9 n SER 348 Cb 0.13 -0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 63.83 3kb9 n SER 348 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kb9 s THR 349 N -3.00 0.90 0.43 6.66 2.01 -0.69 -4.62 115.64 117.31 3kb9 s THR 349 Ca 0.12 -1.86 -0.26 0.00 0.31 0.00 0.00 61.69 60.01 3kb9 s THR 349 Cb 0.18 -1.65 -0.09 0.00 0.01 0.00 0.00 72.50 70.95 3kb9 s THR 349 CO 0.62 -0.82 1.39 -2.84 -0.69 0.00 0.00 174.62 172.29 3kb9 s PRO 350 N 1.07 3.82 0.44 4.92 0.02 -1.26 -4.72 135.00 139.28 3kb9 s PRO 350 Ca 0.14 2.35 0.30 0.00 0.02 0.00 0.00 61.00 63.81 3kb9 s PRO 350 Cb -0.21 -2.72 1.18 0.00 0.02 0.00 0.00 34.50 32.77 3kb9 s PRO 350 CO -0.11 -0.69 1.87 -1.00 -0.33 0.00 0.00 177.00 176.74 3kb9 h PRO 351 N 2.50 0.00 -0.01 5.54 0.13 -1.97 -2.78 132.00 135.41 3kb9 h PRO 351 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3kb9 h PRO 351 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3kb9 h PRO 351 CO 0.62 0.00 -0.12 2.48 -0.23 0.00 0.00 178.00 180.74 3kb9 n TYR 352 N -2.78 0.00 -3.42 1.56 0.18 -1.26 -4.89 117.16 106.56 3kb9 n TYR 352 Ca 0.01 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.51 3kb9 n TYR 352 Cb 0.29 -0.12 -0.03 0.00 -0.38 0.00 0.00 39.34 39.10 3kb9 n TYR 352 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3kb9 s VAL 353 N -2.37 5.06 -0.55 -3.48 0.11 -1.05 -5.03 120.40 113.08 3kb9 s VAL 353 Ca 0.30 -0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.12 3kb9 s VAL 353 Cb 0.20 -3.72 0.04 0.00 -1.53 0.00 0.00 36.38 31.37 3kb9 s VAL 353 CO 0.46 -0.27 0.93 0.21 -3.33 0.00 0.00 175.10 173.09 3kb9 s ASN 354 N -3.10 6.33 0.00 3.54 3.84 -1.26 -4.99 114.94 119.30 3kb9 s ASN 354 Ca 0.43 -0.41 0.25 0.00 0.21 0.00 0.00 52.86 53.34 3kb9 s ASN 354 Cb -0.11 -2.43 0.31 0.00 -0.55 0.00 0.00 41.25 38.47 3kb9 s ASN 354 CO 0.29 -1.22 1.33 -3.20 -2.79 0.00 0.00 177.10 171.51