#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfg s SER 20 N 0.00 6.49 0.27 4.31 1.04 -1.26 -5.02 113.70 119.53 1qfg s SER 20 Ca 0.00 0.89 -0.05 0.00 0.48 0.00 0.00 55.95 57.28 1qfg s SER 20 Cb 0.00 -2.22 0.53 0.00 0.10 0.00 0.00 66.02 64.43 1qfg s SER 20 CO 0.00 -0.27 1.60 0.00 0.98 0.00 0.00 173.24 175.55 1qfg h ALA 21 N 1.58 0.87 -0.02 5.32 0.00 -2.03 -1.33 119.26 123.65 1qfg h ALA 21 Ca -0.47 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qfg h ALA 21 Cb 1.19 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1qfg h ALA 21 CO 0.65 -0.46 0.00 -2.67 0.00 0.00 0.00 179.25 176.77 1qfg n TRP 22 N -5.45 0.03 0.00 0.00 2.14 -1.26 -3.52 117.44 109.39 1qfg n TRP 22 Ca 0.17 -0.01 0.00 0.00 2.07 0.00 0.00 57.50 59.72 1qfg n TRP 22 Cb 0.56 -0.04 0.00 0.00 -0.81 0.00 0.00 31.31 31.02 1qfg n TRP 22 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1qfg n GLY 23 N 0.34 0.48 0.10 -1.67 0.00 -0.50 -4.58 105.19 99.36 1qfg n GLY 23 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1qfg n GLY 23 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qfg h PRO 24 N 0.00 0.00 -0.94 1.61 0.11 -1.84 -2.41 132.00 128.52 1qfg h PRO 24 Ca 0.00 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.20 1qfg h PRO 24 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 1qfg h PRO 24 CO 0.00 0.75 0.61 0.00 -0.21 0.00 0.00 178.00 179.15 1qfg h ALA 25 N 1.23 1.55 0.12 -0.75 0.00 -1.87 0.17 119.26 119.72 1qfg h ALA 25 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1qfg h ALA 25 Cb 1.59 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1qfg h ALA 25 CO 0.10 0.27 -0.06 0.00 0.00 0.00 0.00 179.25 179.56 1qfg h ALA 26 N 1.52 -0.16 -0.47 0.00 0.00 -1.59 -2.55 119.26 116.01 1qfg h ALA 26 Ca 0.43 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1qfg h ALA 26 Cb 0.35 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1qfg h ALA 26 CO -0.19 -0.26 -0.37 1.15 0.00 0.00 0.00 179.25 179.58 1qfg h THR 27 N -0.83 0.16 -0.31 0.00 2.02 -0.97 -2.01 112.91 110.97 1qfg h THR 27 Ca -0.02 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.02 1qfg h THR 27 Cb 0.55 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1qfg h THR 27 CO 0.03 0.00 -0.40 0.16 0.37 0.00 0.00 175.52 175.68 1qfg h ILE 28 N -0.25 1.29 -0.03 3.11 3.07 -0.81 -2.41 117.51 121.48 1qfg h ILE 28 Ca 0.18 -1.57 0.01 0.00 1.55 0.00 0.00 64.86 65.02 1qfg h ILE 28 Cb 0.56 1.48 -0.00 0.00 -0.27 0.00 0.00 36.82 38.59 1qfg h ILE 28 CO -0.60 0.51 0.03 0.00 -1.05 0.00 0.00 178.15 177.03 1qfg h ALA 29 N 0.94 1.85 -0.23 0.16 0.00 -1.05 -1.14 119.26 119.79 1qfg h ALA 29 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qfg h ALA 29 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1qfg h ALA 29 CO 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1qfg n ALA 30 N -2.46 2.78 0.05 0.00 0.00 -0.79 -3.49 120.51 116.60 1qfg n ALA 30 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1qfg n ALA 30 Cb 0.12 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 1qfg n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qfg h ARG 31 N 1.50 0.00 -6.07 0.00 3.08 -1.23 -3.46 114.38 108.20 1qfg h ARG 31 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1qfg h ARG 31 Cb 0.76 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 1qfg h ARG 31 CO 0.11 0.33 -0.13 -0.65 -1.07 0.00 0.00 179.97 178.55 1qfg s GLN 32 N -2.93 4.07 0.37 0.04 1.11 -1.23 0.14 119.66 121.23 1qfg s GLN 32 Ca -0.02 0.54 -0.14 0.00 0.01 0.00 0.00 55.36 55.75 1qfg s GLN 32 Cb 0.09 -3.25 0.04 0.00 -1.01 0.00 0.00 33.01 28.88 1qfg s GLN 32 CO 0.80 0.61 0.73 0.45 0.01 0.00 0.00 175.29 177.90 1qfg s SER 33 N -0.90 0.11 0.00 5.90 0.15 -0.77 -4.89 113.70 113.29 1qfg s SER 33 Ca 0.26 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1qfg s SER 33 Cb -0.18 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1qfg s SER 33 CO 0.15 -1.59 0.00 0.00 1.20 0.00 0.00 173.24 173.00 1qfg n ALA 34 N -0.53 0.00 0.20 5.45 0.00 -1.26 -1.92 120.51 122.45 1qfg n ALA 34 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.47 1qfg n ALA 34 Cb 0.60 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.67 1qfg n ALA 34 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1qfg h THR 35 N 0.00 0.97 0.00 0.00 2.02 -1.96 0.21 112.91 114.16 1qfg h THR 35 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1qfg h THR 35 Cb 0.00 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1qfg h THR 35 CO 0.00 0.01 -0.35 0.61 0.37 0.00 0.00 175.52 176.16 1qfg n GLY 36 N -1.55 -1.37 0.00 2.16 0.00 -1.26 -4.37 105.19 98.80 1qfg n GLY 36 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1qfg n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qfg n THR 37 N -1.64 0.00 -1.30 2.61 -2.24 -1.03 -4.99 114.28 105.68 1qfg n THR 37 Ca 0.06 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1qfg n THR 37 Cb 0.36 1.42 -0.04 0.00 -2.10 0.00 0.00 70.33 69.96 1qfg n THR 37 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qfg n LYS 38 N 0.00 -1.72 -4.14 -0.78 5.02 0.72 -4.91 118.16 112.35 1qfg n LYS 38 Ca 0.00 0.86 -0.15 0.00 -2.02 0.00 0.00 58.31 57.00 1qfg n LYS 38 Cb 0.17 -5.30 -0.11 0.00 -0.02 0.00 0.00 35.03 29.77 1qfg n LYS 38 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qfg s THR 39 N -1.88 0.87 -0.50 -0.18 -4.23 -1.26 -5.06 115.64 103.41 1qfg s THR 39 Ca 0.00 -1.34 -0.28 0.00 -1.18 0.00 0.00 61.69 58.90 1qfg s THR 39 Cb 0.00 -1.01 -0.00 0.00 1.34 0.00 0.00 72.50 72.83 1qfg s THR 39 CO 0.00 -0.38 1.60 -0.62 -0.54 0.00 0.00 174.62 174.68 1qfg s ASP 40 N -1.91 5.92 0.03 3.99 -1.08 -1.26 -4.39 116.67 117.98 1qfg s ASP 40 Ca -0.02 0.61 0.04 0.00 -0.52 0.00 0.00 52.55 52.65 1qfg s ASP 40 Cb -0.08 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.83 1qfg s ASP 40 CO 0.01 -1.81 -0.11 -0.89 0.52 0.00 0.00 175.17 172.89 1qfg s THR 41 N 6.81 0.83 0.50 1.71 2.01 -0.81 -4.98 115.64 121.71 1qfg s THR 41 Ca 0.63 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 1qfg s THR 41 Cb -0.14 -0.78 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 1qfg s THR 41 CO 0.27 -0.09 0.87 -2.16 -0.69 0.00 0.00 174.62 172.82 1qfg s PRO 42 N -1.11 3.69 0.59 4.92 0.04 -1.26 -1.85 135.00 140.00 1qfg s PRO 42 Ca -0.02 0.53 0.37 0.00 0.04 0.00 0.00 61.00 61.93 1qfg s PRO 42 Cb -0.08 -2.27 1.69 0.00 0.04 0.00 0.00 34.50 33.89 1qfg s PRO 42 CO 0.01 -0.26 2.10 -0.84 0.04 0.00 0.00 177.00 178.05 1qfg h ILE 43 N 0.44 0.00 0.00 0.56 3.07 0.88 0.02 117.51 122.49 1qfg h ILE 43 Ca -0.46 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 65.59 1qfg h ILE 43 Cb 1.19 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 1qfg h ILE 43 CO 0.62 0.00 -0.03 0.06 -1.05 0.00 0.00 178.15 177.75 1qfg h GLN 44 N 0.00 0.00 -0.50 0.16 -0.00 -1.93 -2.48 115.11 110.36 1qfg h GLN 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1qfg h GLN 44 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 1qfg h GLN 44 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.83 180.46 1qfg n LYS 45 N -2.35 2.24 -3.92 0.06 5.02 -0.01 -4.74 118.16 114.47 1qfg n LYS 45 Ca 0.05 -1.71 -0.35 0.00 -2.02 0.00 0.00 58.31 54.28 1qfg n LYS 45 Cb 0.44 -1.44 -0.14 0.00 -0.02 0.00 0.00 35.03 33.88 1qfg n LYS 45 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qfg s VAL 46 N -1.46 3.02 -2.00 -0.18 1.01 -0.94 -4.91 120.40 114.95 1qfg s VAL 46 Ca 0.32 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1qfg s VAL 46 Cb 0.17 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1qfg s VAL 46 CO 0.20 0.06 0.33 -0.81 0.00 0.00 0.00 175.10 174.88 1qfg n PRO 47 N 4.67 0.06 -3.97 2.72 -0.04 -1.26 -4.75 135.00 132.42 1qfg n PRO 47 Ca -0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.23 1qfg n PRO 47 Cb 0.46 -1.25 -0.09 0.00 -0.04 0.00 0.00 33.50 32.57 1qfg n PRO 47 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1qfg s GLN 48 N -2.00 0.67 0.04 0.54 0.74 -1.26 -4.47 119.66 113.92 1qfg s GLN 48 Ca 0.01 -1.00 -0.30 0.00 0.05 0.00 0.00 55.36 54.12 1qfg s GLN 48 Cb 0.01 0.25 -0.07 0.00 1.10 0.00 0.00 33.01 34.30 1qfg s GLN 48 CO 0.01 -0.17 1.49 -1.12 -0.55 0.00 0.00 175.29 174.96 1qfg s SER 49 N -2.66 6.75 -0.15 6.67 0.01 -1.26 -5.01 113.70 118.06 1qfg s SER 49 Ca 0.03 2.28 -0.11 0.00 1.31 0.00 0.00 55.95 59.45 1qfg s SER 49 Cb 0.04 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.75 1qfg s SER 49 CO -0.09 -0.77 0.38 -0.51 0.41 0.00 0.00 173.24 172.66 1qfg s ILE 50 N 2.34 -0.01 0.16 1.44 2.07 -1.26 -2.06 121.20 123.87 1qfg s ILE 50 Ca 0.68 0.05 0.10 0.00 -1.41 0.00 0.00 60.65 60.07 1qfg s ILE 50 Cb -0.35 -0.55 -0.04 0.00 0.13 0.00 0.00 42.46 41.65 1qfg s ILE 50 CO 0.29 0.02 -0.21 -0.44 -1.91 0.00 0.00 174.94 172.69 1qfg s SER 51 N 0.76 3.62 -0.02 4.50 0.01 -0.57 -4.98 113.70 117.03 1qfg s SER 51 Ca -0.05 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.49 1qfg s SER 51 Cb -0.06 -0.37 0.01 0.00 0.21 0.00 0.00 66.02 65.81 1qfg s SER 51 CO -0.05 0.14 -0.04 -0.69 0.41 0.00 0.00 173.24 173.01 1qfg s VAL 52 N -1.44 0.40 -0.06 3.43 1.01 -1.26 -1.95 120.40 120.53 1qfg s VAL 52 Ca 0.19 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1qfg s VAL 52 Cb -0.09 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1qfg s VAL 52 CO 0.10 0.15 -0.05 -0.69 0.00 0.00 0.00 175.10 174.60 1qfg s VAL 53 N 0.31 0.65 0.32 2.92 1.01 -0.50 -5.01 120.40 120.11 1qfg s VAL 53 Ca -0.03 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1qfg s VAL 53 Cb -0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1qfg s VAL 53 CO -0.00 0.27 0.49 0.42 0.00 0.00 0.00 175.10 176.28 1qfg s THR 54 N 1.17 4.88 0.27 3.92 -4.23 -1.26 -1.29 115.64 119.10 1qfg s THR 54 Ca -0.07 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.70 1qfg s THR 54 Cb -0.14 -3.75 0.27 0.00 1.34 0.00 0.00 72.50 70.21 1qfg s THR 54 CO -0.01 -0.40 1.92 0.00 -0.54 0.00 0.00 174.62 175.58 1qfg h ALA 55 N 0.86 1.38 -0.69 3.99 0.00 -1.53 -0.90 119.26 122.38 1qfg h ALA 55 Ca -0.50 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1qfg h ALA 55 Cb 1.23 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1qfg h ALA 55 CO 0.60 0.52 0.28 0.93 0.00 0.00 0.00 179.25 181.58 1qfg h GLU 56 N 1.21 1.02 -0.51 0.00 3.07 -1.92 0.17 114.58 117.62 1qfg h GLU 56 Ca 0.38 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1qfg h GLU 56 Cb 0.01 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1qfg h GLU 56 CO -0.12 0.84 0.23 0.93 -1.40 0.00 0.00 179.01 179.50 1qfg h GLU 57 N 0.97 0.74 0.00 2.33 5.08 -1.56 0.26 114.58 122.40 1qfg h GLU 57 Ca 0.23 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1qfg h GLU 57 Cb 0.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1qfg h GLU 57 CO -0.02 0.63 -0.23 0.52 -1.00 0.00 0.00 179.01 178.92 1qfg h MET 58 N 0.68 0.00 -0.21 2.33 2.86 -0.42 -1.14 114.93 119.02 1qfg h MET 58 Ca 0.17 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.67 1qfg h MET 58 Cb 0.15 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1qfg h MET 58 CO -0.02 0.23 -0.44 0.00 1.06 0.00 0.00 176.91 177.73 1qfg h ALA 59 N 1.77 0.83 0.32 6.32 0.00 -0.23 0.11 119.26 128.38 1qfg h ALA 59 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1qfg h ALA 59 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1qfg h ALA 59 CO 0.03 0.65 -0.15 1.25 0.00 0.00 0.00 179.25 181.03 1qfg h LEU 60 N 0.43 -0.36 -0.76 0.00 5.85 0.12 -3.37 115.31 117.22 1qfg h LEU 60 Ca 0.03 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 1qfg h LEU 60 Cb 0.95 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1qfg h LEU 60 CO 0.08 0.10 -0.40 0.45 -0.34 0.00 0.00 178.44 178.34 1qfg h HIS 61 N -0.98 0.00 -5.95 1.25 3.86 -1.31 -3.49 115.15 108.54 1qfg h HIS 61 Ca -0.04 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.78 1qfg h HIS 61 Cb 0.49 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.06 1qfg h HIS 61 CO 0.04 0.40 -0.82 1.04 0.86 0.00 0.00 177.93 179.44 1qfg n GLN 62 N -3.46 -4.94 -1.91 2.45 1.13 0.37 -4.92 117.38 106.09 1qfg n GLN 62 Ca 0.00 0.68 -0.41 0.00 -1.94 0.00 0.00 57.00 55.34 1qfg n GLN 62 Cb 0.55 -5.33 -0.01 0.00 0.11 0.00 0.00 30.24 25.57 1qfg n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1qfg s PRO 63 N -5.72 4.13 0.15 -1.09 0.04 -1.26 -4.91 135.00 126.33 1qfg s PRO 63 Ca 0.06 2.42 -0.15 0.00 0.04 0.00 0.00 61.00 63.37 1qfg s PRO 63 Cb -0.01 -2.95 0.02 0.00 0.04 0.00 0.00 34.50 31.60 1qfg s PRO 63 CO 0.79 -0.45 1.72 -0.22 0.04 0.00 0.00 177.00 178.88 1qfg h LYS 64 N 3.02 0.67 0.00 4.56 3.64 -1.96 -3.46 116.57 123.04 1qfg h LYS 64 Ca -0.50 -0.10 -0.45 0.00 -1.27 0.00 0.00 60.65 58.32 1qfg h LYS 64 Cb 1.24 -0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 32.83 1qfg h LYS 64 CO 0.64 0.58 -0.41 -1.13 -2.27 0.00 0.00 179.45 176.86 1qfg n SER 65 N -4.63 0.39 0.23 4.20 3.41 -1.26 -4.63 113.62 111.32 1qfg n SER 65 Ca 0.01 -2.90 0.14 0.00 -0.26 0.00 0.00 58.87 55.86 1qfg n SER 65 Cb 0.12 1.15 0.79 0.00 -0.26 0.00 0.00 64.21 66.01 1qfg n SER 65 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1qfg h VAL 66 N 1.74 0.66 0.53 -3.33 2.07 -1.89 -3.06 116.25 112.97 1qfg h VAL 66 Ca -0.24 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1qfg h VAL 66 Cb 1.05 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1qfg h VAL 66 CO 0.38 0.00 -0.48 0.11 0.02 0.00 0.00 177.57 177.59 1qfg h LYS 67 N 0.00 -0.96 0.00 1.57 1.57 -1.94 -2.44 116.57 114.37 1qfg h LYS 67 Ca 0.05 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1qfg h LYS 67 Cb 0.26 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1qfg h LYS 67 CO -0.00 -0.64 -0.05 0.93 -0.57 0.00 0.00 179.45 179.12 1qfg h GLU 68 N -1.00 0.00 -0.11 3.15 3.07 -1.88 0.26 114.58 118.07 1qfg h GLU 68 Ca -0.06 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1qfg h GLU 68 Cb 0.86 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1qfg h GLU 68 CO -0.04 0.05 0.08 0.00 -1.40 0.00 0.00 179.01 177.70 1qfg h ALA 69 N 1.95 2.06 -0.48 3.43 0.00 -1.38 0.02 119.26 124.86 1qfg h ALA 69 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qfg h ALA 69 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1qfg h ALA 69 CO 0.01 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.40 1qfg n LEU 70 N -4.44 3.38 0.27 0.00 4.77 0.07 -4.63 117.00 116.42 1qfg n LEU 70 Ca -0.00 -1.55 0.14 0.00 -0.03 0.00 0.00 56.01 54.57 1qfg n LEU 70 Cb 0.20 -0.32 0.65 0.00 -2.33 0.00 0.00 43.42 41.63 1qfg n LEU 70 CO 0.34 0.77 1.12 0.28 -1.33 0.00 0.00 177.39 178.57 1qfg h SER 71 N 4.10 0.00 -0.51 -1.43 0.02 -0.95 -1.69 113.55 113.09 1qfg h SER 71 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1qfg h SER 71 Cb 0.92 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.30 1qfg h SER 71 CO 0.00 0.00 0.10 -1.22 -1.14 0.00 0.00 176.83 174.57 1qfg n TYR 72 N -2.98 1.58 -4.75 3.45 4.02 -1.26 -4.85 117.16 112.38 1qfg n TYR 72 Ca 0.01 -1.67 -0.31 0.00 -0.01 0.00 0.00 57.90 55.92 1qfg n TYR 72 Cb 0.57 -0.61 -0.13 0.00 -0.02 0.00 0.00 39.34 39.16 1qfg n TYR 72 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1qfg s THR 73 N -3.26 2.85 0.59 -0.72 2.01 -0.64 -4.11 115.64 112.36 1qfg s THR 73 Ca 0.48 -1.05 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 1qfg s THR 73 Cb 0.43 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1qfg s THR 73 CO 0.02 0.41 1.03 -2.16 -0.69 0.00 0.00 174.62 173.24 1qfg s PRO 74 N -1.22 3.46 -0.46 4.92 0.04 -1.26 -4.29 135.00 136.19 1qfg s PRO 74 Ca 0.14 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1qfg s PRO 74 Cb -0.11 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1qfg s PRO 74 CO 0.04 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1qfg n GLY 75 N -1.59 0.67 2.84 0.56 0.00 -1.26 -4.99 105.19 101.42 1qfg n GLY 75 Ca 0.07 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 1qfg n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qfg s VAL 76 N -2.17 -0.08 -0.23 1.61 0.11 -1.26 -0.34 120.40 118.04 1qfg s VAL 76 Ca 0.00 0.23 -0.17 0.00 -2.93 0.00 0.00 61.98 59.11 1qfg s VAL 76 Cb 0.00 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 1qfg s VAL 76 CO 0.00 0.10 0.47 -0.44 -3.33 0.00 0.00 175.10 171.90 1qfg s SER 77 N 1.34 6.45 -0.01 3.54 0.01 -0.13 -4.92 113.70 119.98 1qfg s SER 77 Ca -0.07 0.53 0.16 0.00 1.31 0.00 0.00 55.95 57.89 1qfg s SER 77 Cb -0.12 -2.26 -0.22 0.00 0.21 0.00 0.00 66.02 63.63 1qfg s SER 77 CO -0.05 -0.20 0.51 1.33 0.41 0.00 0.00 173.24 175.25 1qfg n VAL 78 N 4.80 0.00 -0.43 3.43 0.24 -1.26 -3.12 118.33 121.99 1qfg n VAL 78 Ca -0.06 -0.26 0.09 0.00 -2.04 0.00 0.00 64.34 62.08 1qfg n VAL 78 Cb 0.50 0.54 0.28 0.00 -1.47 0.00 0.00 33.84 33.68 1qfg n VAL 78 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qfg n GLY 79 N 1.48 2.78 0.31 7.63 0.00 -1.26 -4.72 105.19 111.40 1qfg n GLY 79 Ca -0.00 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.44 1qfg n GLY 79 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qfg n THR 80 N 0.99 -0.37 0.98 2.61 -1.04 -1.26 -0.09 114.28 116.10 1qfg n THR 80 Ca 0.21 1.95 0.07 0.00 -2.04 0.00 0.00 64.05 64.23 1qfg n THR 80 Cb 0.66 -2.82 0.22 0.00 -1.82 0.00 0.00 70.33 66.56 1qfg n THR 80 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1qfg n ARG 81 N -5.30 1.79 0.00 -2.82 3.00 -1.26 -3.78 116.66 108.28 1qfg n ARG 81 Ca 0.20 -1.21 0.00 0.00 -0.00 0.00 0.00 57.85 56.84 1qfg n ARG 81 Cb 0.64 -1.31 0.00 0.00 0.00 0.00 0.00 32.46 31.80 1qfg n ARG 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qfg n GLY 82 N 1.08 3.31 0.31 5.14 0.00 0.87 -2.42 105.19 113.48 1qfg n GLY 82 Ca 0.13 -0.22 0.21 0.00 0.00 0.00 0.00 46.02 46.14 1qfg n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfg h ALA 83 N -0.98 1.00 -2.90 4.61 0.00 -1.68 -3.44 119.26 115.87 1qfg h ALA 83 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1qfg h ALA 83 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 17.79 17.91 1qfg h ALA 83 CO 0.00 0.00 0.49 0.45 0.00 0.00 0.00 179.25 180.19 1qfg s SER 84 N -5.01 5.10 0.00 0.00 0.15 -1.01 -4.89 113.70 108.04 1qfg s SER 84 Ca -0.04 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.08 1qfg s SER 84 Cb 0.12 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1qfg s SER 84 CO 0.39 -1.66 0.40 -3.20 1.20 0.00 0.00 173.24 170.37 1qfg n ASN 85 N -1.57 0.79 -0.36 5.45 5.15 -1.26 -4.88 115.26 118.58 1qfg n ASN 85 Ca 0.14 -1.02 0.30 0.00 -0.60 0.00 0.00 54.58 53.40 1qfg n ASN 85 Cb 0.49 0.00 0.62 0.00 -0.53 0.00 0.00 39.78 40.36 1qfg n ASN 85 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1qfg h THR 86 N 0.25 0.40 -4.02 -0.44 2.02 -1.83 -3.43 112.91 105.86 1qfg h THR 86 Ca 0.00 -0.07 -0.19 0.00 0.77 0.00 0.00 66.41 66.92 1qfg h THR 86 Cb 0.13 0.18 -0.17 0.00 -1.74 0.00 0.00 68.15 66.54 1qfg h THR 86 CO 0.00 0.04 -0.70 -0.31 0.37 0.00 0.00 175.52 174.92 1qfg s TYR 87 N -5.26 0.59 -1.00 3.16 2.02 -1.26 -4.91 117.35 110.68 1qfg s TYR 87 Ca -0.07 -0.80 -0.05 0.00 -0.37 0.00 0.00 57.07 55.78 1qfg s TYR 87 Cb 0.25 -0.38 0.26 0.00 -0.40 0.00 0.00 41.96 41.69 1qfg s TYR 87 CO 0.81 -0.22 1.01 -0.25 -1.57 0.00 0.00 175.55 175.33 1qfg n ASP 88 N 0.65 5.02 -4.73 2.29 8.00 -1.26 -5.00 116.55 121.52 1qfg n ASP 88 Ca -0.17 -3.14 -0.38 0.00 0.71 0.00 0.00 54.79 51.80 1qfg n ASP 88 Cb 0.58 -1.20 -0.06 0.00 -0.02 0.00 0.00 41.12 40.42 1qfg n ASP 88 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1qfg s HIS 89 N -1.58 3.54 -0.05 1.24 5.65 -1.26 -4.85 115.29 117.98 1qfg s HIS 89 Ca 0.30 0.92 0.02 0.00 0.25 0.00 0.00 55.06 56.55 1qfg s HIS 89 Cb -0.06 -2.54 0.02 0.00 -1.18 0.00 0.00 32.58 28.82 1qfg s HIS 89 CO -0.07 0.21 -0.08 -0.51 -0.65 0.00 0.00 174.74 173.64 1qfg s LEU 90 N 0.46 1.51 -0.26 8.88 1.43 -1.26 -4.81 118.68 124.62 1qfg s LEU 90 Ca 0.26 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 1qfg s LEU 90 Cb -0.15 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 1qfg s LEU 90 CO 0.11 -0.01 0.45 -0.63 0.23 0.00 0.00 176.35 176.50 1qfg s ILE 91 N 0.74 5.12 -0.12 -0.59 1.01 -1.18 -4.72 121.20 121.46 1qfg s ILE 91 Ca -0.12 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.28 1qfg s ILE 91 Cb -0.15 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1qfg s ILE 91 CO 0.02 0.13 -0.18 -0.63 0.00 0.00 0.00 174.94 174.28 1qfg s ILE 92 N 2.13 2.60 -1.61 2.92 1.01 -0.52 -0.95 121.20 126.78 1qfg s ILE 92 Ca 0.18 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 1qfg s ILE 92 Cb -0.16 -2.06 0.11 0.00 0.01 0.00 0.00 42.46 40.37 1qfg s ILE 92 CO 0.09 0.54 0.69 0.54 0.00 0.00 0.00 174.94 176.80 1qfg n ARG 93 N 3.57 -3.35 0.00 2.79 3.00 0.54 -0.72 116.66 122.49 1qfg n ARG 93 Ca -0.19 0.39 0.00 0.00 -0.01 0.00 0.00 57.85 58.05 1qfg n ARG 93 Cb 0.53 -4.95 0.00 0.00 0.00 0.00 0.00 32.46 28.04 1qfg n ARG 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qfg n GLY 94 N -1.61 2.77 3.71 -0.13 0.00 -1.26 -4.85 105.19 103.82 1qfg n GLY 94 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1qfg n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qfg s PHE 95 N -1.27 2.71 0.17 1.61 0.40 0.10 -4.98 117.98 116.73 1qfg s PHE 95 Ca 0.00 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 1qfg s PHE 95 Cb 0.00 -1.52 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 1qfg s PHE 95 CO 0.00 0.42 0.01 0.00 0.70 0.00 0.00 175.22 176.35 1qfg s ALA 96 N -2.40 1.31 0.92 5.36 0.00 -1.26 -1.44 121.76 124.26 1qfg s ALA 96 Ca 0.36 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.62 1qfg s ALA 96 Cb -0.03 0.58 0.14 0.00 0.00 0.00 0.00 23.12 23.81 1qfg s ALA 96 CO 0.22 -0.34 1.09 0.00 0.00 0.00 0.00 175.76 176.73 1qfg s ALA 97 N -3.69 1.35 -0.35 0.00 0.00 -1.26 -4.84 121.76 112.97 1qfg s ALA 97 Ca 0.24 0.10 -0.39 0.00 0.00 0.00 0.00 51.96 51.91 1qfg s ALA 97 Cb 0.06 -3.26 -0.15 0.00 0.00 0.00 0.00 23.12 19.78 1qfg s ALA 97 CO 0.04 -2.55 1.99 -1.91 0.00 0.00 0.00 175.76 173.33 1qfg n GLU 98 N -4.04 0.89 0.00 0.00 0.00 -1.26 0.26 120.64 116.49 1qfg n GLU 98 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.52 1qfg n GLU 98 Cb 0.54 -2.12 0.00 0.00 0.00 0.00 0.00 31.44 29.86 1qfg n GLU 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qfg n GLY 99 N 5.74 2.38 1.04 8.31 0.00 -1.26 -3.66 105.19 117.73 1qfg n GLY 99 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1qfg n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qfg n GLN 100 N -2.00 0.00 -2.17 1.61 1.13 0.14 -5.04 117.38 111.05 1qfg n GLN 100 Ca 0.00 0.03 -0.35 0.00 -1.94 0.00 0.00 57.00 54.74 1qfg n GLN 100 Cb 0.00 -1.62 0.01 0.00 0.11 0.00 0.00 30.24 28.75 1qfg n GLN 100 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1qfg s SER 101 N -2.06 5.55 0.63 1.08 0.01 -1.24 -4.90 113.70 112.76 1qfg s SER 101 Ca 0.00 2.26 -0.18 0.00 1.31 0.00 0.00 55.95 59.34 1qfg s SER 101 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 1qfg s SER 101 CO 0.00 -1.34 1.21 -1.10 0.41 0.00 0.00 173.24 172.42 1qfg s GLN 102 N -3.27 2.78 -0.59 12.44 -0.21 -1.26 -4.09 119.66 125.45 1qfg s GLN 102 Ca 0.74 1.81 0.06 0.00 0.02 0.00 0.00 55.36 58.00 1qfg s GLN 102 Cb -0.26 -1.91 0.27 0.00 1.00 0.00 0.00 33.01 32.11 1qfg s GLN 102 CO 0.29 -1.36 0.76 -1.71 -2.12 0.00 0.00 175.29 171.15 1qfg n ASN 103 N -1.87 3.36 -4.43 5.90 5.15 -1.26 -4.86 115.26 117.26 1qfg n ASN 103 Ca 0.14 -3.38 -0.34 0.00 -0.60 0.00 0.00 54.58 50.40 1qfg n ASN 103 Cb 0.50 -0.65 -0.13 0.00 -0.53 0.00 0.00 39.78 38.97 1qfg n ASN 103 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1qfg s ASN 104 N -2.50 4.49 0.18 1.20 -0.87 -1.26 -2.73 114.94 113.45 1qfg s ASN 104 Ca 0.41 -0.24 0.05 0.00 -1.57 0.00 0.00 52.86 51.51 1qfg s ASN 104 Cb 0.18 -1.73 -0.04 0.00 -0.02 0.00 0.00 41.25 39.65 1qfg s ASN 104 CO -0.05 0.13 0.19 -0.31 -2.57 0.00 0.00 177.10 174.49 1qfg s TYR 105 N 0.59 3.23 -0.13 2.20 1.51 0.34 -1.20 117.35 123.89 1qfg s TYR 105 Ca -0.04 -0.00 -0.04 0.00 -1.01 0.00 0.00 57.07 55.98 1qfg s TYR 105 Cb -0.15 -1.53 0.06 0.00 -0.11 0.00 0.00 41.96 40.23 1qfg s TYR 105 CO 0.03 0.52 0.12 -1.17 -1.11 0.00 0.00 175.55 173.93 1qfg s LEU 106 N -3.26 0.15 -0.97 -1.29 2.96 -0.58 -0.91 118.68 114.77 1qfg s LEU 106 Ca 0.32 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1qfg s LEU 106 Cb -0.10 -0.03 0.00 0.00 0.50 0.00 0.00 46.19 46.56 1qfg s LEU 106 CO 0.25 -0.31 0.00 0.59 -1.32 0.00 0.00 176.35 175.56 1qfg n ASN 107 N 5.30 -3.69 0.00 3.68 3.02 -0.06 -2.67 115.26 120.84 1qfg n ASN 107 Ca -0.05 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1qfg n ASN 107 Cb 0.49 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 1qfg n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qfg n GLY 108 N -1.09 0.91 3.36 7.41 0.00 -1.26 -4.94 105.19 109.58 1qfg n GLY 108 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1qfg n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qfg s LEU 109 N 0.00 2.28 0.19 0.99 1.43 -1.09 -5.03 118.68 117.45 1qfg s LEU 109 Ca 0.00 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 1qfg s LEU 109 Cb 0.00 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.72 1qfg s LEU 109 CO 0.00 0.32 1.32 -0.75 0.23 0.00 0.00 176.35 177.47 1qfg s LYS 110 N -0.58 4.38 -1.09 1.70 2.20 -1.26 -1.53 119.74 123.55 1qfg s LYS 110 Ca 0.09 2.06 -0.16 0.00 -0.36 0.00 0.00 55.97 57.60 1qfg s LYS 110 Cb -0.11 -3.20 0.16 0.00 -1.51 0.00 0.00 37.83 33.17 1qfg s LYS 110 CO 0.00 -0.28 1.30 -0.51 -0.36 0.00 0.00 175.35 175.50 1qfg s LEU 111 N 0.03 5.10 -0.18 5.43 1.43 -0.34 -4.90 118.68 125.24 1qfg s LEU 111 Ca 0.58 -2.63 -0.29 0.00 -1.03 0.00 0.00 54.13 50.76 1qfg s LEU 111 Cb -0.37 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1qfg s LEU 111 CO 0.37 -0.86 1.64 -1.10 0.23 0.00 0.00 176.35 176.63 1qfg s GLN 112 N 1.94 3.86 0.18 1.70 -1.52 -1.26 -4.70 119.66 119.86 1qfg s GLN 112 Ca 0.38 1.78 0.01 0.00 -1.95 0.00 0.00 55.36 55.59 1qfg s GLN 112 Cb -0.04 -4.03 0.01 0.00 -0.22 0.00 0.00 33.01 28.74 1qfg s GLN 112 CO -0.04 -1.22 0.12 0.41 -0.25 0.00 0.00 175.29 174.32 1qfg n GLY 113 N 4.56 3.05 3.64 3.09 0.00 -1.26 -4.92 105.19 113.35 1qfg n GLY 113 Ca 0.19 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 1qfg n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qfg s ASN 114 N -2.05 -0.79 0.66 1.61 3.84 0.14 -4.99 114.94 113.37 1qfg s ASN 114 Ca 0.09 1.33 0.00 0.00 0.21 0.00 0.00 52.86 54.49 1qfg s ASN 114 Cb -0.01 1.33 0.00 0.00 -0.55 0.00 0.00 41.25 42.03 1qfg s ASN 114 CO 0.06 -0.22 0.00 0.33 -2.79 0.00 0.00 177.10 174.48 1qfg n PHE 115 N 3.66 0.00 1.01 0.43 7.35 -1.26 0.06 117.46 128.71 1qfg n PHE 115 Ca -0.18 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.57 1qfg n PHE 115 Cb 0.58 0.03 0.37 0.00 0.35 0.00 0.00 39.48 40.81 1qfg n PHE 115 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1qfg n TYR 116 N 14.00 0.00 -3.11 -5.13 4.01 -1.26 -4.56 117.16 121.10 1qfg n TYR 116 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.29 1qfg n TYR 116 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1qfg n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1qfg s ASN 117 N -1.89 6.42 0.00 7.72 3.84 0.11 -4.94 114.94 126.21 1qfg s ASN 117 Ca 0.19 -1.86 0.00 0.00 0.21 0.00 0.00 52.86 51.40 1qfg s ASN 117 Cb 0.09 -2.31 -0.00 0.00 -0.55 0.00 0.00 41.25 38.48 1qfg s ASN 117 CO 0.14 -0.99 -0.00 -1.81 -2.79 0.00 0.00 177.10 171.65 1qfg s ASP 118 N 3.30 0.04 0.15 -4.21 1.01 -1.26 0.27 116.67 115.97 1qfg s ASP 118 Ca 0.18 -0.06 0.07 0.00 0.71 0.00 0.00 52.55 53.45 1qfg s ASP 118 Cb -0.16 0.01 -0.04 0.00 1.01 0.00 0.00 42.92 43.74 1qfg s ASP 118 CO -0.01 -0.03 -0.05 0.00 0.21 0.00 0.00 175.17 175.28 1qfg s ALA 119 N -0.18 3.08 0.18 5.23 0.00 -1.26 -5.04 121.76 123.77 1qfg s ALA 119 Ca -0.02 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.64 1qfg s ALA 119 Cb -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 1qfg s ALA 119 CO -0.00 0.54 -0.06 0.14 0.00 0.00 0.00 175.76 176.38 1qfg s VAL 120 N -1.55 1.08 -0.06 0.00 -7.23 -1.26 -4.88 120.40 106.49 1qfg s VAL 120 Ca 0.25 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1qfg s VAL 120 Cb -0.10 -2.06 -0.00 0.00 0.56 0.00 0.00 36.38 34.78 1qfg s VAL 120 CO 0.16 -0.56 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.56 1qfg s ILE 121 N -3.39 1.72 0.23 -0.62 -1.09 -1.26 -5.08 121.20 111.71 1qfg s ILE 121 Ca 0.22 -0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 57.48 1qfg s ILE 121 Cb 0.04 -1.48 -0.10 0.00 -1.58 0.00 0.00 42.46 39.34 1qfg s ILE 121 CO 0.04 0.49 1.43 -0.62 -1.23 0.00 0.00 174.94 175.04 1qfg s ASP 122 N 0.15 6.69 0.33 3.58 -1.08 -1.26 -4.67 116.67 120.42 1qfg s ASP 122 Ca -0.09 2.61 0.23 0.00 -0.52 0.00 0.00 52.55 54.78 1qfg s ASP 122 Cb -0.14 -2.62 1.22 0.00 -1.46 0.00 0.00 42.92 39.92 1qfg s ASP 122 CO 0.05 -0.68 1.71 1.55 0.52 0.00 0.00 175.17 178.32 1qfg h PRO 123 N 5.28 0.00 0.00 4.34 0.13 -1.88 -1.66 132.00 138.20 1qfg h PRO 123 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1qfg h PRO 123 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1qfg h PRO 123 CO 0.79 0.00 0.00 -0.92 -0.23 0.00 0.00 178.00 177.64 1qfg h TYR 124 N 0.00 0.00 -0.61 1.56 3.20 -1.92 -2.21 116.97 116.98 1qfg h TYR 124 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1qfg h TYR 124 Cb 0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1qfg h TYR 124 CO 0.00 0.00 0.00 -1.33 -1.64 0.00 0.00 178.16 175.19 1qfg n MET 125 N -2.88 2.44 -4.00 1.82 0.00 -0.63 -4.95 117.12 108.92 1qfg n MET 125 Ca -0.00 -2.24 -0.27 0.00 0.00 0.00 0.00 57.70 55.19 1qfg n MET 125 Cb 0.22 -1.49 -0.04 0.00 0.00 0.00 0.00 33.22 31.91 1qfg n MET 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1qfg s LEU 126 N -1.03 4.10 -0.16 4.03 1.43 -0.83 -2.09 118.68 124.12 1qfg s LEU 126 Ca 0.42 0.05 0.15 0.00 -1.03 0.00 0.00 54.13 53.72 1qfg s LEU 126 Cb 0.22 -2.69 -0.22 0.00 0.03 0.00 0.00 46.19 43.53 1qfg s LEU 126 CO 0.29 0.08 0.08 1.21 0.23 0.00 0.00 176.35 178.24 1qfg n GLU 127 N -0.33 1.17 -3.63 1.70 2.13 -0.00 -4.58 120.64 117.09 1qfg n GLU 127 Ca -0.07 -0.02 -0.04 0.00 0.66 0.00 0.00 57.16 57.68 1qfg n GLU 127 Cb 0.54 -1.44 -0.01 0.00 0.27 0.00 0.00 31.44 30.80 1qfg n GLU 127 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1qfg s ARG 128 N -2.48 0.80 0.00 5.31 1.70 -1.23 -1.36 118.95 121.70 1qfg s ARG 128 Ca -0.08 -0.39 0.02 0.00 -0.47 0.00 0.00 55.73 54.80 1qfg s ARG 128 Cb 0.06 0.31 -0.01 0.00 -0.57 0.00 0.00 34.95 34.74 1qfg s ARG 128 CO 0.70 -0.36 -0.06 0.00 -1.08 0.00 0.00 175.30 174.50 1qfg s ALA 129 N -2.95 0.50 -0.01 7.88 0.00 -0.41 -1.01 121.76 125.76 1qfg s ALA 129 Ca 0.10 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1qfg s ALA 129 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 1qfg s ALA 129 CO -0.03 0.10 -0.08 -1.21 0.00 0.00 0.00 175.76 174.54 1qfg s GLU 130 N -0.36 0.73 -0.16 0.00 2.02 0.53 -1.41 118.70 120.05 1qfg s GLU 130 Ca 0.00 -0.27 -0.00 0.00 0.02 0.00 0.00 54.97 54.72 1qfg s GLU 130 Cb -0.03 -0.71 -0.00 0.00 0.10 0.00 0.00 34.13 33.48 1qfg s GLU 130 CO -0.00 0.13 -0.14 0.42 0.02 0.00 0.00 175.26 175.69 1qfg s ILE 131 N 0.02 2.80 -0.32 -1.63 1.01 -0.82 0.04 121.20 122.29 1qfg s ILE 131 Ca 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 1qfg s ILE 131 Cb -0.06 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.25 1qfg s ILE 131 CO -0.00 0.51 0.09 -0.32 0.00 0.00 0.00 174.94 175.22 1qfg s MET 132 N 0.79 2.81 0.27 2.79 -2.45 -0.39 -1.51 119.30 121.62 1qfg s MET 132 Ca -0.05 -1.05 -0.14 0.00 -1.25 0.00 0.00 55.69 53.20 1qfg s MET 132 Cb -0.15 -3.41 -0.08 0.00 1.25 0.00 0.00 34.83 32.43 1qfg s MET 132 CO 0.00 -0.57 0.68 1.03 1.05 0.00 0.00 175.02 177.21 1qfg s ARG 133 N 1.44 3.99 0.61 4.11 0.52 -0.87 -1.22 118.95 127.52 1qfg s ARG 133 Ca 0.00 0.59 0.00 0.00 -0.52 0.00 0.00 55.73 55.81 1qfg s ARG 133 Cb -0.18 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 32.70 1qfg s ARG 133 CO 0.02 0.25 0.00 0.41 0.02 0.00 0.00 175.30 176.01 1qfg n GLY 134 N -0.07 -2.20 3.77 -3.53 0.00 -0.17 -4.44 105.19 98.56 1qfg n GLY 134 Ca 0.01 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 1qfg n GLY 134 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qfg s PRO 135 N -0.27 3.84 0.00 1.61 0.02 -1.26 -2.73 135.00 136.20 1qfg s PRO 135 Ca 0.00 1.86 0.06 0.00 0.02 0.00 0.00 61.00 62.94 1qfg s PRO 135 Cb 0.00 -2.52 0.11 0.00 0.02 0.00 0.00 34.50 32.11 1qfg s PRO 135 CO 0.00 -0.51 0.92 1.33 -0.33 0.00 0.00 177.00 178.41 1qfg n VAL 136 N -0.28 0.00 0.21 3.83 0.24 -1.26 -4.71 118.33 116.36 1qfg n VAL 136 Ca 0.06 -0.25 0.05 0.00 -2.04 0.00 0.00 64.34 62.17 1qfg n VAL 136 Cb 0.47 0.50 0.47 0.00 -1.47 0.00 0.00 33.84 33.81 1qfg n VAL 136 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1qfg h SER 137 N 0.25 0.00 -0.17 -1.34 0.02 -1.70 -0.10 113.55 110.51 1qfg h SER 137 Ca -0.16 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1qfg h SER 137 Cb 1.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 1qfg h SER 137 CO -0.03 0.27 0.58 1.62 -1.14 0.00 0.00 176.83 178.13 1qfg h VAL 138 N 0.00 0.07 0.00 2.27 3.04 -1.86 -2.54 116.25 117.24 1qfg h VAL 138 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1qfg h VAL 138 Cb 0.52 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 1qfg h VAL 138 CO 0.04 0.00 -0.85 0.18 -1.01 0.00 0.00 177.57 175.93 1qfg n LEU 139 N -2.99 0.01 0.00 3.16 4.77 -0.10 -4.35 117.00 117.49 1qfg n LEU 139 Ca 0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1qfg n LEU 139 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1qfg n LEU 139 CO 0.14 0.00 0.13 -1.22 -1.33 0.00 0.00 177.39 175.11 1qfg n TYR 140 N -1.43 0.00 -2.05 -1.77 4.02 -0.87 -5.06 117.16 110.01 1qfg n TYR 140 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1qfg n TYR 140 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 1qfg n TYR 140 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qfg n GLY 141 N 0.13 -1.72 3.60 2.72 0.00 -0.99 -4.86 105.19 104.07 1qfg n GLY 141 Ca 0.00 -1.66 -0.53 0.00 0.00 0.00 0.00 46.02 43.83 1qfg n GLY 141 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qfg n LYS 142 N 0.00 1.10 -3.51 1.61 2.85 -1.26 -4.24 118.16 114.71 1qfg n LYS 142 Ca 0.00 0.40 -0.14 0.00 -1.05 0.00 0.00 58.31 57.52 1qfg n LYS 142 Cb 0.00 -2.04 -0.04 0.00 -0.65 0.00 0.00 35.03 32.30 1qfg n LYS 142 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1qfg s SER 143 N 0.77 -0.53 0.31 -5.58 0.15 -0.80 -5.02 113.70 103.01 1qfg s SER 143 Ca 0.86 0.39 -0.28 0.00 0.70 0.00 0.00 55.95 57.62 1qfg s SER 143 Cb -0.98 0.47 -0.09 0.00 -1.71 0.00 0.00 66.02 63.71 1qfg s SER 143 CO 0.49 -0.61 1.08 -0.55 1.20 0.00 0.00 173.24 174.85 1qfg s SER 144 N -1.67 7.15 0.78 5.45 0.15 -1.26 -4.07 113.70 120.23 1qfg s SER 144 Ca -0.04 2.20 -0.11 0.00 0.70 0.00 0.00 55.95 58.70 1qfg s SER 144 Cb -0.00 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.75 1qfg s SER 144 CO 0.01 -0.22 1.11 -2.16 1.20 0.00 0.00 173.24 173.17 1qfg s PRO 145 N -1.70 2.13 0.00 5.44 0.04 -1.26 -2.84 135.00 136.81 1qfg s PRO 145 Ca 0.48 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1qfg s PRO 145 Cb -0.29 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1qfg s PRO 145 CO 0.37 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1qfg n GLY 146 N -0.87 2.93 0.00 0.56 0.00 -1.25 -4.65 105.19 101.91 1qfg n GLY 146 Ca 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1qfg n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfg n GLY 147 N 0.00 0.58 3.30 -0.02 0.00 -1.11 -1.00 105.19 106.95 1qfg n GLY 147 Ca 0.00 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1qfg n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qfg s LEU 148 N 0.00 0.52 -0.15 0.99 0.20 -0.36 -4.48 118.68 115.40 1qfg s LEU 148 Ca 0.00 -0.04 -0.00 0.00 0.69 0.00 0.00 54.13 54.78 1qfg s LEU 148 Cb 0.00 1.64 -0.01 0.00 -0.43 0.00 0.00 46.19 47.39 1qfg s LEU 148 CO 0.00 -0.65 -0.13 -0.22 -0.29 0.00 0.00 176.35 175.06 1qfg s LEU 149 N -2.00 2.66 -0.19 -0.68 2.96 -1.10 -1.27 118.68 119.06 1qfg s LEU 149 Ca -0.05 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1qfg s LEU 149 Cb -0.01 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 45.09 1qfg s LEU 149 CO -0.02 0.12 -0.16 0.21 -1.32 0.00 0.00 176.35 175.18 1qfg s ASN 150 N 0.59 3.43 0.06 3.68 2.47 0.11 0.13 114.94 125.41 1qfg s ASN 150 Ca -0.08 -0.60 0.02 0.00 0.42 0.00 0.00 52.86 52.62 1qfg s ASN 150 Cb -0.16 -1.54 -0.04 0.00 -1.45 0.00 0.00 41.25 38.06 1qfg s ASN 150 CO 0.03 -0.01 0.12 -0.04 -3.72 0.00 0.00 177.10 173.49 1qfg s MET 151 N 1.33 3.09 -0.09 0.43 -1.94 -0.09 -0.35 119.30 121.69 1qfg s MET 151 Ca 0.05 -0.58 0.04 0.00 -1.71 0.00 0.00 55.69 53.49 1qfg s MET 151 Cb -0.13 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.86 1qfg s MET 151 CO -0.11 0.59 -0.23 0.08 -0.01 0.00 0.00 175.02 175.35 1qfg s VAL 152 N -1.41 1.96 0.45 -6.03 1.01 -0.18 -0.88 120.40 115.32 1qfg s VAL 152 Ca 0.31 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 1qfg s VAL 152 Cb -0.12 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.49 1qfg s VAL 152 CO 0.23 0.54 1.32 -0.44 0.00 0.00 0.00 175.10 176.75 1qfg s SER 153 N 0.34 5.98 0.30 3.32 0.01 -1.26 -0.82 113.70 121.56 1qfg s SER 153 Ca -0.17 2.69 -0.29 0.00 1.31 0.00 0.00 55.95 59.48 1qfg s SER 153 Cb -0.17 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 63.32 1qfg s SER 153 CO 0.08 -1.08 1.43 -0.54 0.41 0.00 0.00 173.24 173.54 1qfg s LYS 154 N -2.48 4.24 0.37 12.44 1.02 -0.89 -4.36 119.74 130.08 1qfg s LYS 154 Ca 0.62 2.36 0.08 0.00 0.02 0.00 0.00 55.97 59.05 1qfg s LYS 154 Cb -0.39 -3.06 -0.06 0.00 -0.52 0.00 0.00 37.83 33.80 1qfg s LYS 154 CO 0.48 -0.41 0.01 1.03 -0.92 0.00 0.00 175.35 175.55 1qfg s ARG 155 N -1.06 2.02 0.46 1.68 1.81 -1.26 -4.96 118.95 117.63 1qfg s ARG 155 Ca 0.56 -1.89 -0.25 0.00 -1.72 0.00 0.00 55.73 52.43 1qfg s ARG 155 Cb -0.43 -1.82 -0.08 0.00 -0.45 0.00 0.00 34.95 32.17 1qfg s ARG 155 CO 0.50 0.06 1.37 -2.30 -0.68 0.00 0.00 175.30 174.25 1qfg n PRO 156 N -0.97 2.08 -3.11 3.54 -0.02 -1.26 -4.93 135.00 130.33 1qfg n PRO 156 Ca -0.04 0.74 -0.26 0.00 -2.02 0.00 0.00 63.50 61.92 1qfg n PRO 156 Cb 0.64 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1qfg n PRO 156 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1qfg s THR 157 N -1.21 5.01 -0.01 3.45 -4.23 -1.26 -5.01 115.64 112.38 1qfg s THR 157 Ca 0.63 -0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.95 1qfg s THR 157 Cb -0.46 -3.83 -0.06 0.00 1.34 0.00 0.00 72.50 69.49 1qfg s THR 157 CO 0.57 -0.60 0.67 0.71 -0.54 0.00 0.00 174.62 175.43 1qfg h THR 158 N 0.74 0.00 -4.34 3.99 1.35 -1.97 -3.44 112.91 109.25 1qfg h THR 158 Ca -0.48 -0.24 -0.50 0.00 -0.55 0.00 0.00 66.41 64.63 1qfg h THR 158 Cb 1.21 0.00 0.10 0.00 -1.73 0.00 0.00 68.15 67.72 1qfg h THR 158 CO 0.63 0.00 0.37 -1.83 -0.25 0.00 0.00 175.52 174.43 1qfg s GLU 159 N -2.96 2.68 0.64 4.72 1.03 -1.26 -4.73 118.70 118.82 1qfg s GLU 159 Ca -0.05 0.77 -0.14 0.00 0.03 0.00 0.00 54.97 55.58 1qfg s GLU 159 Cb 0.01 -1.98 -0.02 0.00 -0.80 0.00 0.00 34.13 31.34 1qfg s GLU 159 CO 0.16 -1.24 1.06 -2.14 -1.33 0.00 0.00 175.26 171.77 1qfg s PRO 160 N -5.13 3.12 -0.12 -4.83 0.02 -1.26 -4.82 135.00 121.98 1qfg s PRO 160 Ca 0.59 1.13 -0.05 0.00 0.02 0.00 0.00 61.00 62.69 1qfg s PRO 160 Cb -0.14 -2.01 0.06 0.00 0.02 0.00 0.00 34.50 32.43 1qfg s PRO 160 CO 0.54 -0.96 0.24 -1.17 -0.33 0.00 0.00 177.00 175.32 1qfg s LEU 161 N -4.93 -0.02 -0.36 -5.54 2.96 -0.74 -4.97 118.68 105.08 1qfg s LEU 161 Ca 0.62 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 1qfg s LEU 161 Cb -0.16 0.66 0.12 0.00 0.50 0.00 0.00 46.19 47.32 1qfg s LEU 161 CO 0.44 -0.21 0.17 -0.54 -1.32 0.00 0.00 176.35 174.89 1qfg s LYS 162 N 1.99 0.86 -0.03 1.98 1.02 -1.26 -0.75 119.74 123.55 1qfg s LYS 162 Ca -0.02 -1.43 0.06 0.00 0.02 0.00 0.00 55.97 54.60 1qfg s LYS 162 Cb -0.11 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 1qfg s LYS 162 CO -0.08 -1.09 -0.21 -2.00 -0.92 0.00 0.00 175.35 171.04 1qfg s GLU 163 N 1.09 2.25 -0.01 1.68 2.12 -0.51 -0.27 118.70 125.05 1qfg s GLU 163 Ca 0.14 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 54.65 1qfg s GLU 163 Cb -0.21 -2.17 -0.00 0.00 0.26 0.00 0.00 34.13 32.00 1qfg s GLU 163 CO -0.12 0.58 -0.10 0.08 -0.54 0.00 0.00 175.26 175.17 1qfg s VAL 164 N -0.67 0.80 -0.00 3.70 1.01 0.04 -1.81 120.40 123.46 1qfg s VAL 164 Ca 0.11 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1qfg s VAL 164 Cb -0.10 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 1qfg s VAL 164 CO -0.00 0.23 -0.04 -1.58 0.00 0.00 0.00 175.10 173.71 1qfg s GLN 165 N -0.09 0.30 0.04 2.72 0.74 0.67 0.76 119.66 124.80 1qfg s GLN 165 Ca 0.02 -0.15 0.03 0.00 0.05 0.00 0.00 55.36 55.31 1qfg s GLN 165 Cb -0.05 -0.29 -0.02 0.00 1.10 0.00 0.00 33.01 33.75 1qfg s GLN 165 CO -0.00 0.08 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.66 1qfg s PHE 166 N -0.12 0.82 -0.05 1.67 0.08 0.16 -1.30 117.98 119.24 1qfg s PHE 166 Ca 0.01 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.62 1qfg s PHE 166 Cb -0.02 -0.48 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 1qfg s PHE 166 CO -0.00 -0.03 0.12 0.15 -0.10 0.00 0.00 175.22 175.35 1qfg s LYS 167 N -1.32 0.12 -0.02 0.44 1.02 -0.19 0.61 119.74 120.40 1qfg s LYS 167 Ca -0.05 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1qfg s LYS 167 Cb -0.08 0.01 0.03 0.00 -0.52 0.00 0.00 37.83 37.26 1qfg s LYS 167 CO 0.01 -0.05 0.01 0.00 -0.92 0.00 0.00 175.35 174.40 1qfg s ALA 168 N 0.30 0.24 0.19 5.17 0.00 -0.30 -1.42 121.76 125.94 1qfg s ALA 168 Ca -0.02 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.14 1qfg s ALA 168 Cb -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 1qfg s ALA 168 CO -0.01 -0.07 0.22 0.41 0.00 0.00 0.00 175.76 176.31 1qfg n GLY 169 N 4.05 2.95 3.74 0.00 0.00 0.17 0.21 105.19 116.31 1qfg n GLY 169 Ca -0.26 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 1qfg n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfg s THR 170 N -2.69 2.97 -0.47 2.61 2.01 0.39 -2.95 115.64 117.51 1qfg s THR 170 Ca 0.19 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1qfg s THR 170 Cb 0.00 -2.73 0.00 0.00 0.01 0.00 0.00 72.50 69.78 1qfg s THR 170 CO 0.13 -0.39 0.00 0.47 -0.69 0.00 0.00 174.62 174.14 1qfg n ASP 171 N -3.51 -5.01 -0.48 3.53 8.00 -1.26 -2.96 116.55 114.86 1qfg n ASP 171 Ca 0.10 0.11 -0.02 0.00 0.71 0.00 0.00 54.79 55.69 1qfg n ASP 171 Cb 0.52 -2.90 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 1qfg n ASP 171 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qfg n SER 172 N -0.61 -1.89 -4.70 -2.24 7.64 -1.20 -0.92 113.62 109.70 1qfg n SER 172 Ca -0.04 -0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.39 1qfg n SER 172 Cb 0.39 -1.00 -0.03 0.00 -1.01 0.00 0.00 64.21 62.56 1qfg n SER 172 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1qfg s LEU 173 N -1.05 4.34 -0.06 -3.43 2.96 -1.15 -4.04 118.68 116.24 1qfg s LEU 173 Ca 0.02 1.96 -0.02 0.00 -0.22 0.00 0.00 54.13 55.87 1qfg s LEU 173 Cb -0.01 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.14 1qfg s LEU 173 CO 0.03 -0.51 0.04 -0.36 -1.32 0.00 0.00 176.35 174.23 1qfg s PHE 174 N 1.48 0.30 -0.01 5.38 0.08 -0.83 -0.66 117.98 123.73 1qfg s PHE 174 Ca 0.58 0.04 0.04 0.00 0.12 0.00 0.00 56.93 57.71 1qfg s PHE 174 Cb -0.28 -0.62 -0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1qfg s PHE 174 CO 0.27 -0.27 -0.12 -1.14 -0.10 0.00 0.00 175.22 173.85 1qfg s GLN 175 N 2.09 1.04 -0.08 0.44 0.74 -0.51 -2.49 119.66 120.90 1qfg s GLN 175 Ca 0.05 -0.44 0.01 0.00 0.05 0.00 0.00 55.36 55.03 1qfg s GLN 175 Cb -0.13 -1.00 0.02 0.00 1.10 0.00 0.00 33.01 33.00 1qfg s GLN 175 CO -0.04 0.25 -0.11 -0.08 -0.55 0.00 0.00 175.29 174.75 1qfg s THR 176 N -0.22 1.16 0.12 -0.34 -1.32 0.53 -1.02 115.64 114.56 1qfg s THR 176 Ca 0.03 -0.45 -0.10 0.00 -1.21 0.00 0.00 61.69 59.96 1qfg s THR 176 Cb -0.06 -1.09 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1qfg s THR 176 CO -0.00 0.37 0.27 -0.83 -2.21 0.00 0.00 174.62 172.22 1qfg s GLY 177 N 0.99 0.13 0.09 6.08 0.00 -0.42 -0.17 107.32 114.03 1qfg s GLY 177 Ca -0.08 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1qfg s GLY 177 CO -0.00 -0.70 -0.07 -0.11 0.00 0.00 0.00 173.10 172.22 1qfg s PHE 178 N -3.88 0.86 -0.30 1.90 -0.71 -0.74 -0.24 117.98 114.88 1qfg s PHE 178 Ca 0.08 -0.88 -0.01 0.00 -1.04 0.00 0.00 56.93 55.08 1qfg s PHE 178 Cb 0.04 -0.50 0.13 0.00 -1.21 0.00 0.00 43.02 41.47 1qfg s PHE 178 CO -0.08 -0.15 0.26 0.34 -1.34 0.00 0.00 175.22 174.26 1qfg s ASP 179 N -2.92 2.05 -0.08 1.98 -1.08 -0.75 -0.35 116.67 115.53 1qfg s ASP 179 Ca 0.10 -0.95 0.04 0.00 -0.52 0.00 0.00 52.55 51.23 1qfg s ASP 179 Cb 0.04 0.32 -0.01 0.00 -1.46 0.00 0.00 42.92 41.81 1qfg s ASP 179 CO -0.04 -0.39 -0.21 -0.36 0.52 0.00 0.00 175.17 174.69 1qfg s PHE 180 N 2.23 2.57 -0.02 -5.34 0.08 -0.66 -1.42 117.98 115.42 1qfg s PHE 180 Ca 0.10 -0.65 -0.01 0.00 0.12 0.00 0.00 56.93 56.48 1qfg s PHE 180 Cb -0.15 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1qfg s PHE 180 CO -0.31 -0.17 0.04 0.45 -0.10 0.00 0.00 175.22 175.12 1qfg s SER 181 N -0.10 -0.02 0.24 1.36 0.15 0.07 -1.33 113.70 114.08 1qfg s SER 181 Ca -0.04 0.07 -0.19 0.00 0.70 0.00 0.00 55.95 56.49 1qfg s SER 181 Cb -0.14 0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1qfg s SER 181 CO 0.04 -0.04 0.61 -0.62 1.20 0.00 0.00 173.24 174.43 1qfg s ASP 182 N 0.28 -0.26 0.16 5.45 2.15 -1.04 -1.79 116.67 121.62 1qfg s ASP 182 Ca -0.02 -0.57 -0.09 0.00 0.43 0.00 0.00 52.55 52.30 1qfg s ASP 182 Cb -0.03 0.65 -0.06 0.00 -0.30 0.00 0.00 42.92 43.18 1qfg s ASP 182 CO -0.01 -1.20 0.47 -0.44 -0.17 0.00 0.00 175.17 173.82 1qfg s SER 183 N -2.91 6.61 0.00 -0.34 0.01 -1.26 -0.91 113.70 114.90 1qfg s SER 183 Ca 0.12 0.82 0.23 0.00 1.31 0.00 0.00 55.95 58.42 1qfg s SER 183 Cb -0.03 -2.18 0.43 0.00 0.21 0.00 0.00 66.02 64.44 1qfg s SER 183 CO 0.03 0.03 1.40 0.18 0.41 0.00 0.00 173.24 175.30 1qfg n LEU 184 N 0.25 3.35 -3.63 2.44 7.99 0.28 -4.95 117.00 122.73 1qfg n LEU 184 Ca -0.03 -1.42 -0.10 0.00 -0.01 0.00 0.00 56.01 54.45 1qfg n LEU 184 Cb 0.52 -0.23 -0.04 0.00 -0.11 0.00 0.00 43.42 43.57 1qfg n LEU 184 CO 0.45 0.71 0.23 1.51 -1.51 0.00 0.00 177.39 178.78 1qfg s ASP 185 N -1.53 -0.30 0.00 -1.43 -4.77 -1.25 -4.97 116.67 102.42 1qfg s ASP 185 Ca 0.38 -0.31 0.30 0.00 -3.30 0.00 0.00 52.55 49.61 1qfg s ASP 185 Cb 0.22 0.52 1.38 0.00 -1.09 0.00 0.00 42.92 43.95 1qfg s ASP 185 CO 0.31 -0.92 1.97 0.47 0.70 0.00 0.00 175.17 177.70 1qfg n ASP 186 N -0.28 0.11 -0.00 2.11 8.00 -1.26 -2.73 116.55 122.49 1qfg n ASP 186 Ca -0.15 -0.12 0.10 0.00 0.71 0.00 0.00 54.79 55.34 1qfg n ASP 186 Cb 0.64 -0.26 -0.14 0.00 -0.02 0.00 0.00 41.12 41.34 1qfg n ASP 186 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qfg n ASP 187 N -1.27 0.53 -1.01 -2.24 8.00 -1.26 -5.00 116.55 114.30 1qfg n ASP 187 Ca 0.13 -0.52 -0.05 0.00 0.71 0.00 0.00 54.79 55.06 1qfg n ASP 187 Cb 0.27 1.46 0.01 0.00 -0.02 0.00 0.00 41.12 42.84 1qfg n ASP 187 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qfg n GLY 188 N 1.39 0.53 0.18 0.44 0.00 -1.11 -4.90 105.19 101.72 1qfg n GLY 188 Ca 0.00 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.60 1qfg n GLY 188 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1qfg h VAL 189 N -0.44 0.10 -3.24 1.61 3.04 -1.85 -3.41 116.25 112.06 1qfg h VAL 189 Ca -0.12 -1.16 -0.59 0.00 -1.01 0.00 0.00 66.70 63.83 1qfg h VAL 189 Cb 1.08 1.90 -0.37 0.00 -2.01 0.00 0.00 31.29 31.89 1qfg h VAL 189 CO 0.12 0.06 -0.82 -0.31 -1.01 0.00 0.00 177.57 175.61 1qfg s TYR 190 N -3.22 2.05 0.05 3.17 2.02 -1.26 -1.31 117.35 118.85 1qfg s TYR 190 Ca 0.04 -1.22 -0.03 0.00 -0.37 0.00 0.00 57.07 55.49 1qfg s TYR 190 Cb 0.07 -1.51 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 1qfg s TYR 190 CO 0.72 -0.66 0.02 -1.54 -1.57 0.00 0.00 175.55 172.52 1qfg s SER 191 N 1.52 0.38 0.28 2.29 1.04 -0.60 0.98 113.70 119.59 1qfg s SER 191 Ca 0.03 -0.86 0.02 0.00 0.48 0.00 0.00 55.95 55.62 1qfg s SER 191 Cb -0.14 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.15 1qfg s SER 191 CO -0.09 -0.59 0.11 -0.72 0.98 0.00 0.00 173.24 172.93 1qfg s TYR 192 N -3.59 1.59 -0.14 5.02 -0.85 -0.09 0.04 117.35 119.34 1qfg s TYR 192 Ca 0.04 -1.20 -0.17 0.00 -0.52 0.00 0.00 57.07 55.21 1qfg s TYR 192 Cb 0.05 -0.94 0.04 0.00 0.38 0.00 0.00 41.96 41.50 1qfg s TYR 192 CO -0.09 -0.34 0.47 0.50 -1.52 0.00 0.00 175.55 174.57 1qfg s ARG 193 N -3.97 0.62 -0.11 -3.49 3.52 0.31 -2.50 118.95 113.32 1qfg s ARG 193 Ca 0.37 0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 56.42 1qfg s ARG 193 Cb 0.07 0.29 0.05 0.00 -1.56 0.00 0.00 34.95 33.80 1qfg s ARG 193 CO 0.14 -0.11 0.07 -1.17 -0.81 0.00 0.00 175.30 173.42 1qfg s LEU 194 N -0.14 0.34 -0.07 -0.88 2.96 -0.44 -0.56 118.68 119.88 1qfg s LEU 194 Ca -0.03 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1qfg s LEU 194 Cb -0.03 -0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.40 1qfg s LEU 194 CO 0.02 -0.30 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.67 1qfg s THR 195 N 2.12 2.58 0.06 3.68 2.01 -0.99 -1.66 115.64 123.44 1qfg s THR 195 Ca 0.03 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.12 1qfg s THR 195 Cb -0.14 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 1qfg s THR 195 CO -0.06 0.56 0.07 -0.83 -0.69 0.00 0.00 174.62 173.67 1qfg s GLY 196 N -0.17 0.27 -0.12 4.40 0.00 0.52 -0.11 107.32 112.12 1qfg s GLY 196 Ca -0.02 -0.86 -0.23 0.00 0.00 0.00 0.00 44.72 43.61 1qfg s GLY 196 CO 0.03 -1.00 0.57 0.48 0.00 0.00 0.00 173.10 173.18 1qfg s LEU 197 N -2.71 -0.18 -0.08 0.66 0.05 0.35 -1.78 118.68 114.99 1qfg s LEU 197 Ca 0.03 0.80 0.03 0.00 0.05 0.00 0.00 54.13 55.04 1qfg s LEU 197 Cb 0.05 2.06 0.01 0.00 -2.05 0.00 0.00 46.19 46.26 1qfg s LEU 197 CO -0.09 -0.40 -0.15 0.00 -0.55 0.00 0.00 176.35 175.16 1qfg s ALA 198 N -0.55 1.52 0.03 1.48 0.00 0.77 -1.01 121.76 124.00 1qfg s ALA 198 Ca -0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 1qfg s ALA 198 Cb -0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1qfg s ALA 198 CO 0.05 0.14 0.07 0.50 0.00 0.00 0.00 175.76 176.52 1qfg s ARG 199 N 0.61 0.53 -0.21 0.00 3.52 -0.44 -0.34 118.95 122.62 1qfg s ARG 199 Ca -0.15 -0.73 -0.28 0.00 -0.13 0.00 0.00 55.73 54.44 1qfg s ARG 199 Cb -0.16 0.21 0.12 0.00 -1.56 0.00 0.00 34.95 33.55 1qfg s ARG 199 CO 0.05 -0.12 0.98 -1.54 -0.81 0.00 0.00 175.30 173.85 1qfg s SER 200 N -1.99 -0.44 0.23 -2.12 1.04 -1.04 -1.20 113.70 108.18 1qfg s SER 200 Ca -0.07 0.66 -0.22 0.00 0.48 0.00 0.00 55.95 56.80 1qfg s SER 200 Cb -0.03 0.61 0.06 0.00 0.10 0.00 0.00 66.02 66.76 1qfg s SER 200 CO -0.04 -0.28 0.90 0.00 0.98 0.00 0.00 173.24 174.81 1qfg s ALA 201 N -0.49 -1.38 -0.02 5.32 0.00 -0.84 -1.96 121.76 122.39 1qfg s ALA 201 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1qfg s ALA 201 Cb -0.03 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1qfg s ALA 201 CO -0.01 -1.04 0.09 -0.80 0.00 0.00 0.00 175.76 174.00 1qfg s ASN 202 N -3.07 5.80 0.78 0.00 0.02 -0.10 -1.14 114.94 117.24 1qfg s ASN 202 Ca 0.15 0.20 -0.12 0.00 -1.02 0.00 0.00 52.86 52.08 1qfg s ASN 202 Cb -0.03 -1.71 0.07 0.00 0.02 0.00 0.00 41.25 39.60 1qfg s ASN 202 CO 0.06 0.30 1.12 0.00 0.02 0.00 0.00 177.10 178.59 1qfg s ALA 203 N -1.16 2.08 0.36 0.60 0.00 0.34 -4.84 121.76 119.13 1qfg s ALA 203 Ca 0.22 0.46 0.11 0.00 0.00 0.00 0.00 51.96 52.75 1qfg s ALA 203 Cb -0.12 -3.35 0.89 0.00 0.00 0.00 0.00 23.12 20.54 1qfg s ALA 203 CO 0.12 -1.94 1.82 0.37 0.00 0.00 0.00 175.76 176.13 1qfg h GLN 204 N -1.03 0.60 -6.44 0.00 4.15 -1.90 -3.42 115.11 107.07 1qfg h GLN 204 Ca -0.44 -0.04 -0.54 0.00 0.77 0.00 0.00 58.65 58.40 1qfg h GLN 204 Cb 1.25 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 1qfg h GLN 204 CO 0.49 0.40 0.39 -0.65 -1.93 0.00 0.00 178.83 177.52 1qfg s GLN 205 N -5.66 4.57 0.27 1.69 -1.52 -1.26 -4.53 119.66 113.22 1qfg s GLN 205 Ca -0.10 1.46 -0.31 0.00 -1.95 0.00 0.00 55.36 54.46 1qfg s GLN 205 Cb 0.24 -3.44 -0.12 0.00 -0.22 0.00 0.00 33.01 29.46 1qfg s GLN 205 CO 0.79 -0.03 1.54 1.63 -0.25 0.00 0.00 175.29 178.97 1qfg n LYS 206 N 3.74 2.46 0.00 2.91 5.02 -0.42 -1.75 118.16 130.12 1qfg n LYS 206 Ca 0.06 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.22 1qfg n LYS 206 Cb 0.50 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 1qfg n LYS 206 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qfg n GLY 207 N 2.31 2.93 3.86 0.72 0.00 -1.26 -4.72 105.19 109.03 1qfg n GLY 207 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1qfg n GLY 207 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qfg s SER 208 N -1.38 6.59 0.36 1.61 0.01 -0.72 -5.01 113.70 115.17 1qfg s SER 208 Ca 0.00 0.70 0.04 0.00 1.31 0.00 0.00 55.95 58.00 1qfg s SER 208 Cb 0.00 -2.15 -0.06 0.00 0.21 0.00 0.00 66.02 64.02 1qfg s SER 208 CO 0.00 0.35 0.06 -1.61 0.41 0.00 0.00 173.24 172.45 1qfg s GLU 209 N -1.16 1.78 -0.01 12.44 2.02 -1.26 0.12 118.70 132.63 1qfg s GLU 209 Ca 0.21 -2.02 0.01 0.00 0.02 0.00 0.00 54.97 53.19 1qfg s GLU 209 Cb -0.14 -0.99 0.01 0.00 0.10 0.00 0.00 34.13 33.11 1qfg s GLU 209 CO 0.10 -0.22 -0.04 -1.21 0.02 0.00 0.00 175.26 173.91 1qfg s GLU 210 N -3.84 0.41 0.00 1.61 2.02 -0.29 -2.52 118.70 116.10 1qfg s GLU 210 Ca 0.32 -0.11 0.01 0.00 0.02 0.00 0.00 54.97 55.21 1qfg s GLU 210 Cb 0.07 -0.44 -0.01 0.00 0.10 0.00 0.00 34.13 33.86 1qfg s GLU 210 CO 0.15 0.03 -0.03 -0.65 0.02 0.00 0.00 175.26 174.78 1qfg s GLN 211 N 0.23 0.23 -0.06 1.61 -0.21 0.14 -1.98 119.66 119.63 1qfg s GLN 211 Ca -0.02 -0.18 -0.03 0.00 0.02 0.00 0.00 55.36 55.15 1qfg s GLN 211 Cb -0.06 -0.18 0.03 0.00 1.00 0.00 0.00 33.01 33.81 1qfg s GLN 211 CO -0.00 0.04 0.13 0.50 -2.12 0.00 0.00 175.29 173.84 1qfg s ARG 212 N -0.29 0.10 -0.10 2.91 3.52 -0.34 -4.21 118.95 120.54 1qfg s ARG 212 Ca -0.01 0.30 0.03 0.00 -0.13 0.00 0.00 55.73 55.92 1qfg s ARG 212 Cb -0.02 -0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.26 1qfg s ARG 212 CO -0.00 -0.12 -0.20 0.71 -0.81 0.00 0.00 175.30 174.87 1qfg s TYR 213 N 0.83 2.27 -0.14 5.12 2.02 0.59 -1.33 117.35 126.70 1qfg s TYR 213 Ca -0.06 -0.94 -0.07 0.00 -0.37 0.00 0.00 57.07 55.63 1qfg s TYR 213 Cb -0.08 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 39.99 1qfg s TYR 213 CO -0.04 -0.41 0.33 0.00 -1.57 0.00 0.00 175.55 173.86 1qfg s ALA 214 N 0.50 -0.80 -0.10 3.71 0.00 -0.18 -0.46 121.76 124.43 1qfg s ALA 214 Ca -0.16 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1qfg s ALA 214 Cb -0.17 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1qfg s ALA 214 CO 0.06 -0.38 -0.12 -1.50 0.00 0.00 0.00 175.76 173.83 1qfg s ILE 215 N 1.70 1.23 -0.48 0.00 1.10 -0.77 0.13 121.20 124.12 1qfg s ILE 215 Ca -0.06 -0.47 -0.01 0.00 -0.51 0.00 0.00 60.65 59.59 1qfg s ILE 215 Cb -0.10 -1.17 0.13 0.00 0.15 0.00 0.00 42.46 41.47 1qfg s ILE 215 CO -0.10 0.39 0.26 0.00 -2.11 0.00 0.00 174.94 173.38 1qfg s ALA 216 N 1.20 3.27 -0.01 1.50 0.00 0.85 -1.08 121.76 127.49 1qfg s ALA 216 Ca -0.04 -2.83 -0.26 0.00 0.00 0.00 0.00 51.96 48.84 1qfg s ALA 216 Cb -0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1qfg s ALA 216 CO -0.03 -1.90 0.79 -2.14 0.00 0.00 0.00 175.76 172.48 1qfg s PRO 217 N 0.62 4.49 0.04 0.00 0.02 -1.20 -2.36 135.00 136.61 1qfg s PRO 217 Ca 0.12 1.08 0.03 0.00 0.02 0.00 0.00 61.00 62.25 1qfg s PRO 217 Cb -0.22 -3.42 -0.02 0.00 0.02 0.00 0.00 34.50 30.86 1qfg s PRO 217 CO -0.04 0.12 -0.10 0.00 -0.33 0.00 0.00 177.00 176.66 1qfg s ALA 218 N 0.51 0.78 -0.11 -1.55 0.00 0.27 -1.40 121.76 120.27 1qfg s ALA 218 Ca 0.41 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1qfg s ALA 218 Cb -0.20 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 22.93 1qfg s ALA 218 CO 0.22 0.08 0.23 0.12 0.00 0.00 0.00 175.76 176.42 1qfg s PHE 219 N -1.05 -0.34 -0.09 0.00 5.36 -0.56 -0.53 117.98 120.77 1qfg s PHE 219 Ca -0.04 0.83 -0.01 0.00 -0.96 0.00 0.00 56.93 56.75 1qfg s PHE 219 Cb -0.08 -0.06 -0.03 0.00 -0.34 0.00 0.00 43.02 42.51 1qfg s PHE 219 CO 0.01 -0.30 -0.05 0.99 -1.46 0.00 0.00 175.22 174.41 1qfg s THR 220 N 2.02 3.87 -0.31 0.12 2.01 0.11 0.60 115.64 124.07 1qfg s THR 220 Ca -0.02 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1qfg s THR 220 Cb -0.12 -2.61 0.09 0.00 0.01 0.00 0.00 72.50 69.87 1qfg s THR 220 CO -0.08 0.58 0.04 0.86 -0.69 0.00 0.00 174.62 175.33 1qfg s TRP 221 N -0.64 2.98 -0.70 4.92 -0.00 0.01 -1.56 118.94 123.96 1qfg s TRP 221 Ca 0.10 -2.44 -0.07 0.00 -0.00 0.00 0.00 56.10 53.68 1qfg s TRP 221 Cb -0.12 -2.35 0.18 0.00 -0.00 0.00 0.00 33.47 31.19 1qfg s TRP 221 CO 0.02 -0.90 0.56 1.03 -0.00 0.00 0.00 176.95 177.66 1qfg s ARG 222 N 1.18 2.96 0.53 5.86 0.52 -0.43 -1.50 118.95 128.06 1qfg s ARG 222 Ca 0.07 -2.49 0.35 0.00 -0.52 0.00 0.00 55.73 53.14 1qfg s ARG 222 Cb -0.19 -4.00 1.80 0.00 0.52 0.00 0.00 34.95 33.08 1qfg s ARG 222 CO -0.12 -1.22 2.07 -1.00 0.02 0.00 0.00 175.30 175.05 1qfg h PRO 223 N 7.34 0.00 0.00 3.54 0.14 -1.80 -3.37 132.00 137.84 1qfg h PRO 223 Ca 0.03 0.00 0.05 0.00 0.14 0.00 0.00 66.00 66.22 1qfg h PRO 223 Cb 0.99 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.12 1qfg h PRO 223 CO 0.73 0.00 0.18 -0.40 0.14 0.00 0.00 178.00 178.65 1qfg n ASP 224 N -2.81 -0.43 -1.21 1.44 5.68 -1.26 -5.04 116.55 112.92 1qfg n ASP 224 Ca -0.01 -1.20 0.05 0.00 -0.50 0.00 0.00 54.79 53.13 1qfg n ASP 224 Cb 0.12 0.69 0.24 0.00 -1.14 0.00 0.00 41.12 41.04 1qfg n ASP 224 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1qfg n ASP 225 N -0.68 3.51 0.00 -1.12 5.68 -1.26 -3.50 116.55 119.17 1qfg n ASP 225 Ca -0.00 -2.40 0.00 0.00 -0.50 0.00 0.00 54.79 51.89 1qfg n ASP 225 Cb 0.15 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 1qfg n ASP 225 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1qfg n LYS 226 N 0.54 2.32 -4.14 0.11 5.02 -1.26 -4.99 118.16 115.76 1qfg n LYS 226 Ca 0.17 -1.28 -0.17 0.00 -2.02 0.00 0.00 58.31 55.01 1qfg n LYS 226 Cb 0.70 -0.90 -0.15 0.00 -0.02 0.00 0.00 35.03 34.66 1qfg n LYS 226 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qfg s THR 227 N -0.78 0.43 -0.16 -0.18 2.01 -1.23 -0.17 115.64 115.56 1qfg s THR 227 Ca 0.00 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1qfg s THR 227 Cb 0.00 -0.42 0.08 0.00 0.01 0.00 0.00 72.50 72.17 1qfg s THR 227 CO 0.00 0.16 0.30 0.21 -0.69 0.00 0.00 174.62 174.60 1qfg s ASN 228 N 0.38 0.32 -0.27 3.53 3.84 -0.06 -4.21 114.94 118.47 1qfg s ASN 228 Ca -0.04 0.56 0.03 0.00 0.21 0.00 0.00 52.86 53.62 1qfg s ASN 228 Cb -0.08 0.83 0.07 0.00 -0.55 0.00 0.00 41.25 41.52 1qfg s ASN 228 CO -0.00 -0.25 -0.08 0.12 -2.79 0.00 0.00 177.10 174.10 1qfg s PHE 229 N 2.46 3.30 -0.24 0.43 5.36 -0.56 -1.07 117.98 127.66 1qfg s PHE 229 Ca 0.02 -2.41 -0.06 0.00 -0.96 0.00 0.00 56.93 53.52 1qfg s PHE 229 Cb -0.13 -2.08 -0.02 0.00 -0.34 0.00 0.00 43.02 40.45 1qfg s PHE 229 CO -0.10 -0.89 0.02 0.99 -1.46 0.00 0.00 175.22 173.78 1qfg s THR 230 N 1.08 3.85 -0.17 0.12 2.01 0.12 -0.81 115.64 121.85 1qfg s THR 230 Ca -0.05 -0.34 -0.26 0.00 0.31 0.00 0.00 61.69 61.34 1qfg s THR 230 Cb -0.20 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 1qfg s THR 230 CO -0.06 0.37 0.88 0.12 -0.69 0.00 0.00 174.62 175.25 1qfg s PHE 231 N 1.55 3.42 -0.19 4.92 5.36 0.20 -0.70 117.98 132.54 1qfg s PHE 231 Ca 0.06 1.33 -0.02 0.00 -0.96 0.00 0.00 56.93 57.34 1qfg s PHE 231 Cb -0.15 -3.07 -0.00 0.00 -0.34 0.00 0.00 43.02 39.46 1qfg s PHE 231 CO 0.00 -0.27 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.88 1qfg s LEU 232 N 2.26 2.64 0.10 6.12 1.43 -0.50 -1.50 118.68 129.23 1qfg s LEU 232 Ca 0.40 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1qfg s LEU 232 Cb -0.17 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1qfg s LEU 232 CO 0.12 0.02 -0.12 -0.94 0.23 0.00 0.00 176.35 175.66 1qfg s SER 233 N 1.21 1.73 -0.10 2.29 1.04 -0.49 -1.52 113.70 117.87 1qfg s SER 233 Ca 0.02 -0.78 -0.05 0.00 0.48 0.00 0.00 55.95 55.63 1qfg s SER 233 Cb -0.14 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 65.99 1qfg s SER 233 CO -0.04 -0.18 0.22 -0.47 0.98 0.00 0.00 173.24 173.75 1qfg s TYR 234 N -2.12 -0.29 -0.08 5.02 5.04 -0.74 -3.25 117.35 120.93 1qfg s TYR 234 Ca 0.06 0.72 0.01 0.00 -2.44 0.00 0.00 57.07 55.42 1qfg s TYR 234 Cb -0.05 -0.00 0.02 0.00 0.35 0.00 0.00 41.96 42.28 1qfg s TYR 234 CO 0.02 -0.23 -0.09 -0.06 -1.34 0.00 0.00 175.55 173.85 1qfg s PHE 235 N 1.36 1.33 -0.02 4.97 0.08 -0.24 -0.83 117.98 124.62 1qfg s PHE 235 Ca -0.08 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.42 1qfg s PHE 235 Cb -0.11 -1.07 0.02 0.00 -0.57 0.00 0.00 43.02 41.29 1qfg s PHE 235 CO -0.08 -0.37 0.01 -1.14 -0.10 0.00 0.00 175.22 173.54 1qfg s GLN 236 N 1.21 0.10 -0.10 0.44 0.74 0.25 -1.85 119.66 120.45 1qfg s GLN 236 Ca -0.05 0.07 0.04 0.00 0.05 0.00 0.00 55.36 55.47 1qfg s GLN 236 Cb -0.14 -0.25 0.00 0.00 1.10 0.00 0.00 33.01 33.72 1qfg s GLN 236 CO -0.02 -0.09 -0.23 1.21 -0.55 0.00 0.00 175.29 175.61 1qfg s ASN 237 N 0.64 3.03 -0.30 6.67 2.47 0.39 -0.10 114.94 127.74 1qfg s ASN 237 Ca -0.06 -0.55 -0.03 0.00 0.42 0.00 0.00 52.86 52.64 1qfg s ASN 237 Cb -0.08 -1.39 0.11 0.00 -1.45 0.00 0.00 41.25 38.44 1qfg s ASN 237 CO -0.02 0.15 0.14 -1.61 -3.72 0.00 0.00 177.10 172.04 1qfg s GLU 238 N 0.39 0.31 0.05 0.43 2.02 -0.21 -0.30 118.70 121.40 1qfg s GLU 238 Ca -0.18 -0.73 -0.26 0.00 0.02 0.00 0.00 54.97 53.82 1qfg s GLU 238 Cb -0.18 -1.28 -0.17 0.00 0.10 0.00 0.00 34.13 32.60 1qfg s GLU 238 CO 0.08 -1.05 1.55 -1.35 0.02 0.00 0.00 175.26 174.51 1qfg h PRO 239 N 8.13 -0.27 -4.86 0.39 0.11 -1.80 0.20 132.00 133.90 1qfg h PRO 239 Ca -0.15 0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.36 1qfg h PRO 239 Cb 1.00 0.06 -0.35 0.00 0.11 0.00 0.00 31.00 31.83 1qfg h PRO 239 CO 0.42 -0.07 -0.84 -1.21 -0.21 0.00 0.00 178.00 176.08 1qfg s GLU 240 N -5.58 2.48 0.08 1.05 0.41 -1.25 -3.85 118.70 112.03 1qfg s GLU 240 Ca -0.15 -0.65 0.21 0.00 -0.41 0.00 0.00 54.97 53.98 1qfg s GLU 240 Cb 0.04 -2.11 -0.16 0.00 -1.78 0.00 0.00 34.13 30.12 1qfg s GLU 240 CO 0.63 -0.10 0.76 2.41 -0.49 0.00 0.00 175.26 178.47 1qfg n THR 241 N 4.33 0.49 -0.70 3.63 -1.04 0.29 0.26 114.28 121.53 1qfg n THR 241 Ca -0.19 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.26 1qfg n THR 241 Cb 0.51 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1qfg n THR 241 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qfg n GLY 242 N 1.26 -1.82 3.76 3.41 0.00 -1.05 -4.31 105.19 106.44 1qfg n GLY 242 Ca -0.04 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1qfg n GLY 242 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qfg s TYR 243 N 0.00 2.81 -0.20 1.61 5.04 -1.26 -4.88 117.35 120.47 1qfg s TYR 243 Ca 0.00 0.99 0.17 0.00 -2.44 0.00 0.00 57.07 55.79 1qfg s TYR 243 Cb 0.00 -3.96 0.39 0.00 0.35 0.00 0.00 41.96 38.74 1qfg s TYR 243 CO 0.00 -3.06 1.25 0.98 -1.34 0.00 0.00 175.55 173.38 1qfg n TYR 244 N 1.72 -0.24 -2.43 4.97 9.36 -1.26 -4.49 117.16 124.79 1qfg n TYR 244 Ca 0.05 -1.48 -0.25 0.00 3.32 0.00 0.00 57.90 59.54 1qfg n TYR 244 Cb 0.39 0.49 0.14 0.00 -0.63 0.00 0.00 39.34 39.72 1qfg n TYR 244 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1qfg s GLY 245 N -2.20 1.77 -0.07 2.98 0.00 -1.26 -5.07 107.32 103.46 1qfg s GLY 245 Ca 0.18 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.26 1qfg s GLY 245 CO -0.08 -1.02 -0.19 -0.98 0.00 0.00 0.00 173.10 170.83 1qfg s TRP 246 N -3.37 1.99 0.11 1.90 0.51 -1.26 -4.90 118.94 113.91 1qfg s TRP 246 Ca 0.70 -0.71 0.10 0.00 -2.12 0.00 0.00 56.10 54.06 1qfg s TRP 246 Cb -0.04 -1.36 -0.04 0.00 -0.81 0.00 0.00 33.47 31.22 1qfg s TRP 246 CO 0.47 -0.29 -0.25 -0.51 -0.51 0.00 0.00 176.95 175.86 1qfg s LEU 247 N 0.31 2.34 0.60 2.99 1.43 -0.84 -3.59 118.68 121.92 1qfg s LEU 247 Ca -0.12 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.13 1qfg s LEU 247 Cb -0.15 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1qfg s LEU 247 CO 0.05 0.20 1.12 -2.16 0.23 0.00 0.00 176.35 175.79 1qfg s PRO 248 N -1.86 3.09 0.27 1.29 0.04 -1.26 -0.04 135.00 136.53 1qfg s PRO 248 Ca 0.14 1.51 0.23 0.00 0.04 0.00 0.00 61.00 62.92 1qfg s PRO 248 Cb -0.10 -1.98 1.01 0.00 0.04 0.00 0.00 34.50 33.47 1qfg s PRO 248 CO 0.06 -1.04 1.71 0.36 0.04 0.00 0.00 177.00 178.12 1qfg n LYS 249 N -1.83 0.19 -2.87 4.56 2.85 -0.27 -3.97 118.16 116.82 1qfg n LYS 249 Ca 0.11 0.45 -0.43 0.00 -1.05 0.00 0.00 58.31 57.39 1qfg n LYS 249 Cb 0.51 -1.89 -0.03 0.00 -0.65 0.00 0.00 35.03 32.97 1qfg n LYS 249 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1qfg s GLU 250 N -3.35 3.26 0.00 -1.58 8.01 -1.26 -0.70 118.70 123.07 1qfg s GLU 250 Ca 0.03 -1.12 0.00 0.00 0.01 0.00 0.00 54.97 53.90 1qfg s GLU 250 Cb 0.09 -4.46 0.00 0.00 -4.31 0.00 0.00 34.13 25.45 1qfg s GLU 250 CO 0.37 -1.81 0.00 0.41 0.01 0.00 0.00 175.26 174.24 1qfg n GLY 251 N 5.43 0.93 0.00 -1.39 0.00 -0.19 -4.82 105.19 105.15 1qfg n GLY 251 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1qfg n GLY 251 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qfg n THR 252 N 0.00 0.00 -0.10 2.61 -2.24 -1.18 0.12 114.28 113.49 1qfg n THR 252 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1qfg n THR 252 Cb 0.00 -0.08 0.20 0.00 -2.10 0.00 0.00 70.33 68.34 1qfg n THR 252 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1qfg h VAL 253 N 0.00 1.23 -2.21 2.28 2.07 -1.64 -3.45 116.25 114.53 1qfg h VAL 253 Ca 0.00 -0.88 -0.59 0.00 0.82 0.00 0.00 66.70 66.05 1qfg h VAL 253 Cb 0.00 0.78 -0.14 0.00 -1.52 0.00 0.00 31.29 30.41 1qfg h VAL 253 CO 0.00 0.32 -0.73 -1.61 0.02 0.00 0.00 177.57 175.57 1qfg s GLU 254 N -5.10 1.69 0.68 1.57 2.02 0.12 -5.05 118.70 114.63 1qfg s GLU 254 Ca -0.09 -1.81 -0.10 0.00 0.02 0.00 0.00 54.97 52.99 1qfg s GLU 254 Cb 0.15 -1.65 0.02 0.00 0.10 0.00 0.00 34.13 32.75 1qfg s GLU 254 CO 0.80 0.24 1.05 -2.14 0.02 0.00 0.00 175.26 175.23 1qfg s PRO 255 N -3.57 2.84 0.58 0.39 0.02 -1.26 -1.02 135.00 132.98 1qfg s PRO 255 Ca 0.30 0.33 -0.09 0.00 0.02 0.00 0.00 61.00 61.56 1qfg s PRO 255 Cb -0.02 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1qfg s PRO 255 CO 0.15 -0.98 0.96 -0.51 -0.33 0.00 0.00 177.00 176.29 1qfg s LEU 256 N -5.28 3.33 0.41 -5.54 1.43 0.11 -4.31 118.68 108.82 1qfg s LEU 256 Ca 0.57 1.25 0.21 0.00 -1.03 0.00 0.00 54.13 55.13 1qfg s LEU 256 Cb -0.11 -4.25 1.18 0.00 0.03 0.00 0.00 46.19 43.04 1qfg s LEU 256 CO 0.50 -0.81 1.73 -0.65 0.23 0.00 0.00 176.35 177.35 1qfg h PRO 257 N -0.17 0.31 0.00 1.29 0.11 -1.89 0.31 132.00 131.96 1qfg h PRO 257 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qfg h PRO 257 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1qfg h PRO 257 CO 0.62 0.20 0.00 0.27 -0.21 0.00 0.00 178.00 178.88 1qfg n ASN 258 N -4.66 0.00 0.00 -2.05 0.23 -1.26 -4.81 115.26 102.71 1qfg n ASN 258 Ca 0.28 -0.76 0.00 0.00 -0.53 0.00 0.00 54.58 53.57 1qfg n ASN 258 Cb 1.01 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.71 1qfg n ASN 258 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qfg n GLY 259 N -0.12 2.98 2.76 4.83 0.00 0.11 -5.01 105.19 110.74 1qfg n GLY 259 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1qfg n GLY 259 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qfg n LYS 260 N -2.00 0.30 -4.18 1.61 5.02 -1.26 -4.64 118.16 113.01 1qfg n LYS 260 Ca 0.00 -2.02 -0.13 0.00 -2.02 0.00 0.00 58.31 54.14 1qfg n LYS 260 Cb 0.00 -0.37 -0.10 0.00 -0.02 0.00 0.00 35.03 34.53 1qfg n LYS 260 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1qfg s ARG 261 N -4.17 0.86 0.21 1.97 0.52 -1.26 0.04 118.95 117.12 1qfg s ARG 261 Ca 0.46 -1.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 1qfg s ARG 261 Cb -0.03 -0.40 -0.08 0.00 0.52 0.00 0.00 34.95 34.96 1qfg s ARG 261 CO 0.30 0.04 1.17 -0.51 0.02 0.00 0.00 175.30 176.32 1qfg s LEU 262 N -2.79 4.47 0.44 2.53 1.43 0.33 -4.35 118.68 120.74 1qfg s LEU 262 Ca 0.09 2.24 -0.22 0.00 -1.03 0.00 0.00 54.13 55.22 1qfg s LEU 262 Cb 0.01 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 1qfg s LEU 262 CO -0.02 -0.32 1.03 -2.16 0.23 0.00 0.00 176.35 175.11 1qfg s PRO 263 N -0.54 4.03 0.63 1.29 0.04 -1.26 -4.80 135.00 134.38 1qfg s PRO 263 Ca 0.51 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1qfg s PRO 263 Cb -0.32 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1qfg s PRO 263 CO 0.38 -0.24 0.96 0.25 0.04 0.00 0.00 177.00 178.38 1qfg n THR 264 N -0.48 0.00 -0.12 1.26 -2.24 -1.26 -0.42 114.28 111.02 1qfg n THR 264 Ca 0.07 0.96 0.07 0.00 -2.27 0.00 0.00 64.05 62.87 1qfg n THR 264 Cb 0.51 -1.92 0.17 0.00 -2.10 0.00 0.00 70.33 66.99 1qfg n THR 264 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1qfg n ASP 265 N -2.41 3.01 -4.76 3.42 5.75 -1.26 -4.67 116.55 115.62 1qfg n ASP 265 Ca 0.00 -1.95 -0.37 0.00 -0.01 0.00 0.00 54.79 52.46 1qfg n ASP 265 Cb 0.96 -0.25 0.01 0.00 -1.03 0.00 0.00 41.12 40.81 1qfg n ASP 265 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1qfg s PHE 266 N -1.02 2.65 -0.17 2.11 5.36 0.44 -1.30 117.98 126.06 1qfg s PHE 266 Ca 0.27 1.49 -0.02 0.00 -0.96 0.00 0.00 56.93 57.70 1qfg s PHE 266 Cb 0.14 -3.51 0.05 0.00 -0.34 0.00 0.00 43.02 39.37 1qfg s PHE 266 CO 0.19 -1.98 0.02 1.21 -1.46 0.00 0.00 175.22 173.21 1qfg s ASN 267 N -1.28 2.62 0.00 6.13 2.47 -1.26 -4.73 114.94 118.89 1qfg s ASN 267 Ca 0.68 -0.65 0.24 0.00 0.42 0.00 0.00 52.86 53.54 1qfg s ASN 267 Cb -0.32 -0.58 1.28 0.00 -1.45 0.00 0.00 41.25 40.17 1qfg s ASN 267 CO 0.38 -0.27 1.80 -1.84 -3.72 0.00 0.00 177.10 173.45 1qfg n GLU 268 N 5.06 0.45 -1.84 0.43 -0.00 -1.26 -4.71 120.64 118.76 1qfg n GLU 268 Ca -0.09 0.05 -0.29 0.00 -0.00 0.00 0.00 57.16 56.82 1qfg n GLU 268 Cb 0.48 -1.50 0.14 0.00 -0.00 0.00 0.00 31.44 30.56 1qfg n GLU 268 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1qfg s GLY 269 N -2.43 1.67 0.00 -1.84 0.00 -1.26 -4.74 107.32 98.72 1qfg s GLY 269 Ca 0.26 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1qfg s GLY 269 CO 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 173.10 173.20 1qfg n ALA 270 N -3.60 0.00 0.02 3.20 0.00 -1.26 -4.55 120.51 114.32 1qfg n ALA 270 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1qfg n ALA 270 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 1qfg n ALA 270 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1qfg n LYS 271 N 0.00 6.54 -0.51 0.00 2.85 -1.12 -4.41 118.16 121.51 1qfg n LYS 271 Ca 0.00 -0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 1qfg n LYS 271 Cb 0.00 -0.54 0.24 0.00 -0.65 0.00 0.00 35.03 34.07 1qfg n LYS 271 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1qfg n ASN 272 N -1.03 3.49 -4.74 -5.58 6.94 -1.26 -4.98 115.26 108.09 1qfg n ASN 272 Ca 0.00 -3.20 -0.41 0.00 -0.02 0.00 0.00 54.58 50.95 1qfg n ASN 272 Cb 0.01 -0.56 -0.02 0.00 -2.36 0.00 0.00 39.78 36.84 1qfg n ASN 272 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1qfg s ASN 273 N -2.11 6.67 0.00 0.53 -0.87 -1.26 -4.89 114.94 113.01 1qfg s ASN 273 Ca 0.42 2.62 0.00 0.00 -1.57 0.00 0.00 52.86 54.34 1qfg s ASN 273 Cb 0.35 -2.62 -0.00 0.00 -0.02 0.00 0.00 41.25 38.97 1qfg s ASN 273 CO 0.07 -0.70 -0.00 0.28 -2.57 0.00 0.00 177.10 174.17 1qfg s THR 274 N 0.23 0.02 -0.09 1.60 -1.32 0.49 -4.96 115.64 111.60 1qfg s THR 274 Ca 0.61 -0.08 -0.04 0.00 -1.21 0.00 0.00 61.69 60.97 1qfg s THR 274 Cb -0.41 -0.04 0.05 0.00 -1.51 0.00 0.00 72.50 70.59 1qfg s THR 274 CO 0.40 -0.04 0.19 -0.47 -2.21 0.00 0.00 174.62 172.49 1qfg s TYR 275 N -0.13 -0.24 0.03 9.09 6.14 -1.26 0.51 117.35 131.49 1qfg s TYR 275 Ca -0.01 0.69 0.01 0.00 0.64 0.00 0.00 57.07 58.39 1qfg s TYR 275 Cb -0.01 -0.17 -0.02 0.00 0.42 0.00 0.00 41.96 42.18 1qfg s TYR 275 CO -0.00 -0.27 -0.04 -1.54 0.64 0.00 0.00 175.55 174.33 1qfg s SER 276 N 2.11 0.45 0.01 4.32 1.04 0.35 -0.55 113.70 121.43 1qfg s SER 276 Ca 0.00 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.87 1qfg s SER 276 Cb -0.12 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 1qfg s SER 276 CO -0.07 -0.31 -0.05 -0.60 0.98 0.00 0.00 173.24 173.20 1qfg s ARG 277 N -1.79 0.36 -0.06 4.02 3.52 0.69 -0.96 118.95 124.73 1qfg s ARG 277 Ca -0.11 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.11 1qfg s ARG 277 Cb -0.08 -0.23 0.02 0.00 -1.56 0.00 0.00 34.95 33.10 1qfg s ARG 277 CO -0.02 0.05 -0.08 1.21 -0.81 0.00 0.00 175.30 175.66 1qfg s ASN 278 N -0.74 1.40 -0.07 -2.12 3.84 0.34 -1.04 114.94 116.54 1qfg s ASN 278 Ca -0.05 -0.21 0.01 0.00 0.21 0.00 0.00 52.86 52.83 1qfg s ASN 278 Cb -0.05 -0.63 0.02 0.00 -0.55 0.00 0.00 41.25 40.03 1qfg s ASN 278 CO -0.00 -0.03 -0.09 -1.61 -2.79 0.00 0.00 177.10 172.59 1qfg s GLU 279 N 0.89 1.38 -0.02 0.43 2.02 0.86 0.70 118.70 124.97 1qfg s GLU 279 Ca -0.11 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.61 1qfg s GLU 279 Cb -0.15 -1.28 0.02 0.00 0.10 0.00 0.00 34.13 32.82 1qfg s GLU 279 CO 0.01 -0.08 -0.00 0.15 0.02 0.00 0.00 175.26 175.36 1qfg s LYS 280 N 1.02 0.16 0.00 1.61 1.02 -0.93 0.86 119.74 123.49 1qfg s LYS 280 Ca -0.08 0.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.91 1qfg s LYS 280 Cb -0.15 -0.29 -0.00 0.00 -0.52 0.00 0.00 37.83 36.87 1qfg s LYS 280 CO -0.00 -0.07 0.07 -1.64 -0.92 0.00 0.00 175.35 172.78 1qfg s MET 281 N 0.60 0.34 -0.09 1.68 1.00 -0.01 -0.98 119.30 121.83 1qfg s MET 281 Ca -0.05 -0.36 -0.07 0.00 0.00 0.00 0.00 55.69 55.20 1qfg s MET 281 Cb -0.08 0.14 0.03 0.00 0.00 0.00 0.00 34.83 34.91 1qfg s MET 281 CO -0.01 -0.07 0.22 0.14 0.00 0.00 0.00 175.02 175.30 1qfg s VAL 282 N -1.10 -0.01 0.00 -6.03 -7.23 -0.75 -1.79 120.40 103.49 1qfg s VAL 282 Ca -0.12 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 1qfg s VAL 282 Cb -0.07 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.55 1qfg s VAL 282 CO 0.00 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1qfg n GLY 283 N 3.20 1.69 3.57 2.32 0.00 -0.58 0.17 105.19 115.56 1qfg n GLY 283 Ca -0.15 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 1qfg n GLY 283 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qfg s TYR 284 N -2.25 -0.19 -0.07 1.61 -0.85 -0.48 -1.41 117.35 113.70 1qfg s TYR 284 Ca 0.00 0.13 0.05 0.00 -0.52 0.00 0.00 57.07 56.72 1qfg s TYR 284 Cb 0.00 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.85 1qfg s TYR 284 CO 0.00 -0.29 -0.22 0.45 -1.52 0.00 0.00 175.55 173.97 1qfg s SER 285 N -2.21 3.35 -0.03 -0.18 0.15 0.13 -1.27 113.70 113.63 1qfg s SER 285 Ca 0.08 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.30 1qfg s SER 285 Cb -0.01 -1.03 0.01 0.00 -1.71 0.00 0.00 66.02 63.28 1qfg s SER 285 CO -0.06 0.24 -0.06 0.12 1.20 0.00 0.00 173.24 174.68 1qfg s PHE 286 N -0.09 0.75 -0.00 3.44 5.36 -0.49 0.15 117.98 127.10 1qfg s PHE 286 Ca -0.05 -0.20 -0.00 0.00 -0.96 0.00 0.00 56.93 55.73 1qfg s PHE 286 Cb -0.14 -0.62 0.00 0.00 -0.34 0.00 0.00 43.02 41.92 1qfg s PHE 286 CO 0.04 -0.14 0.00 0.16 -1.46 0.00 0.00 175.22 173.82 1qfg s ASP 287 N 0.60 -0.00 -0.11 6.13 -4.77 -0.24 -1.43 116.67 116.86 1qfg s ASP 287 Ca -0.08 0.01 -0.04 0.00 -3.30 0.00 0.00 52.55 49.14 1qfg s ASP 287 Cb -0.12 0.01 0.06 0.00 -1.09 0.00 0.00 42.92 41.78 1qfg s ASP 287 CO 0.00 -0.00 0.17 -2.28 0.70 0.00 0.00 175.17 173.76 1qfg s HIS 288 N 0.03 -0.18 -0.41 2.11 2.46 0.39 -0.88 115.29 118.80 1qfg s HIS 288 Ca -0.00 0.52 -0.19 0.00 0.47 0.00 0.00 55.06 55.85 1qfg s HIS 288 Cb -0.00 -0.29 0.02 0.00 -0.13 0.00 0.00 32.58 32.17 1qfg s HIS 288 CO -0.00 -0.34 0.56 -2.00 -2.47 0.00 0.00 174.74 170.49 1qfg s GLU 289 N 2.29 3.33 -0.01 2.88 2.12 0.76 0.10 118.70 130.18 1qfg s GLU 289 Ca 0.04 -0.40 -0.23 0.00 0.36 0.00 0.00 54.97 54.73 1qfg s GLU 289 Cb -0.13 -3.92 -0.19 0.00 0.26 0.00 0.00 34.13 30.16 1qfg s GLU 289 CO -0.07 -0.88 1.22 0.74 -0.54 0.00 0.00 175.26 175.74 1qfg h PHE 290 N 8.73 0.27 -1.37 5.30 0.04 -0.97 -3.45 116.94 125.49 1qfg h PHE 290 Ca -0.26 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.41 1qfg h PHE 290 Cb 1.11 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1qfg h PHE 290 CO 0.70 0.75 0.00 0.27 -0.60 0.00 0.00 178.31 179.43 1qfg n ASN 291 N -4.61 0.00 0.00 2.17 0.23 -1.21 -5.01 115.26 106.83 1qfg n ASN 291 Ca -0.08 -0.43 0.09 0.00 -0.53 0.00 0.00 54.58 53.62 1qfg n ASN 291 Cb 0.38 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.54 1qfg n ASN 291 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1qfg n ASP 292 N -0.41 0.00 0.00 0.53 8.00 -1.26 -3.49 116.55 119.92 1qfg n ASP 292 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1qfg n ASP 292 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1qfg n ASP 292 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1qfg n THR 293 N -1.23 0.00 -3.98 -3.53 5.66 -1.26 -4.74 114.28 105.19 1qfg n THR 293 Ca 0.09 -0.09 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1qfg n THR 293 Cb 0.12 0.52 -0.16 0.00 -1.55 0.00 0.00 70.33 69.27 1qfg n THR 293 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1qfg s PHE 294 N -1.26 2.52 -0.03 1.09 0.08 -1.23 -1.33 117.98 117.82 1qfg s PHE 294 Ca 0.00 -1.74 0.07 0.00 0.12 0.00 0.00 56.93 55.38 1qfg s PHE 294 Cb 0.00 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1qfg s PHE 294 CO 0.00 -0.77 -0.24 0.99 -0.10 0.00 0.00 175.22 175.10 1qfg s THR 295 N 1.36 2.19 -0.07 0.64 2.01 -0.66 -0.33 115.64 120.78 1qfg s THR 295 Ca -0.04 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 60.96 1qfg s THR 295 Cb -0.18 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 1qfg s THR 295 CO -0.07 0.58 -0.23 0.54 -0.69 0.00 0.00 174.62 174.75 1qfg s VAL 296 N -0.57 2.25 -0.01 3.82 0.11 0.29 -0.79 120.40 125.50 1qfg s VAL 296 Ca 0.08 -0.99 0.03 0.00 -2.93 0.00 0.00 61.98 58.18 1qfg s VAL 296 Cb -0.11 -1.84 -0.01 0.00 -1.53 0.00 0.00 36.38 32.89 1qfg s VAL 296 CO -0.00 0.56 -0.10 0.00 -3.33 0.00 0.00 175.10 172.23 1qfg s ARG 297 N -0.05 0.84 -0.07 1.54 1.70 -0.08 -0.46 118.95 122.35 1qfg s ARG 297 Ca -0.06 -0.37 0.04 0.00 -0.47 0.00 0.00 55.73 54.87 1qfg s ARG 297 Cb -0.15 -0.81 0.00 0.00 -0.57 0.00 0.00 34.95 33.43 1qfg s ARG 297 CO 0.05 0.22 -0.20 -1.14 -1.08 0.00 0.00 175.30 173.14 1qfg s GLN 298 N -0.23 2.45 -0.17 3.89 0.74 -0.51 -0.83 119.66 125.00 1qfg s GLN 298 Ca 0.04 -0.74 -0.00 0.00 0.05 0.00 0.00 55.36 54.71 1qfg s GLN 298 Cb -0.04 -1.95 0.00 0.00 1.10 0.00 0.00 33.01 32.12 1qfg s GLN 298 CO -0.00 0.20 -0.14 -0.80 -0.55 0.00 0.00 175.29 173.99 1qfg s ASN 299 N 0.26 3.70 0.02 6.67 0.01 0.07 -1.40 114.94 124.28 1qfg s ASN 299 Ca -0.13 -0.48 0.01 0.00 -0.71 0.00 0.00 52.86 51.56 1qfg s ASN 299 Cb -0.16 -1.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.90 1qfg s ASN 299 CO 0.06 0.05 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.42 1qfg s LEU 300 N 1.01 2.18 -0.10 0.60 0.20 -0.40 -0.92 118.68 121.26 1qfg s LEU 300 Ca -0.01 -0.40 -0.20 0.00 0.69 0.00 0.00 54.13 54.21 1qfg s LEU 300 Cb -0.15 -0.12 0.04 0.00 -0.43 0.00 0.00 46.19 45.54 1qfg s LEU 300 CO -0.03 -0.15 0.47 -0.60 -0.29 0.00 0.00 176.35 175.75 1qfg s ARG 301 N -1.13 0.72 -0.05 1.98 3.52 0.15 -1.38 118.95 122.76 1qfg s ARG 301 Ca -0.08 0.29 0.06 0.00 -0.13 0.00 0.00 55.73 55.88 1qfg s ARG 301 Cb -0.08 0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.64 1qfg s ARG 301 CO -0.00 -0.17 -0.25 0.12 -0.81 0.00 0.00 175.30 174.20 1qfg s PHE 302 N -0.60 2.37 0.03 5.12 5.36 0.13 -0.25 117.98 130.14 1qfg s PHE 302 Ca -0.07 -0.67 0.01 0.00 -0.96 0.00 0.00 56.93 55.24 1qfg s PHE 302 Cb -0.03 -1.56 -0.02 0.00 -0.34 0.00 0.00 43.02 41.07 1qfg s PHE 302 CO 0.04 -0.19 -0.06 0.00 -1.46 0.00 0.00 175.22 173.55 1qfg s ALA 303 N -0.21 0.39 -0.19 11.12 0.00 0.15 -1.82 121.76 131.21 1qfg s ALA 303 Ca -0.02 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 1qfg s ALA 303 Cb -0.13 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.12 1qfg s ALA 303 CO 0.03 -0.07 -0.04 -2.00 0.00 0.00 0.00 175.76 173.68 1qfg s GLU 304 N -1.51 1.39 0.06 0.00 2.12 -0.15 -0.35 118.70 120.26 1qfg s GLU 304 Ca -0.12 -0.62 0.05 0.00 0.36 0.00 0.00 54.97 54.64 1qfg s GLU 304 Cb -0.10 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.09 1qfg s GLU 304 CO -0.00 -0.50 -0.15 -0.80 -0.54 0.00 0.00 175.26 173.27 1qfg s ASN 305 N 1.60 1.79 0.08 -1.70 0.01 -0.05 -2.18 114.94 114.49 1qfg s ASN 305 Ca -0.01 -0.58 0.03 0.00 -0.71 0.00 0.00 52.86 51.59 1qfg s ASN 305 Cb -0.16 -0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.38 1qfg s ASN 305 CO -0.07 -0.02 -0.09 -0.54 -1.51 0.00 0.00 177.10 174.86 1qfg s LYS 306 N -1.57 0.76 -0.06 -0.60 1.02 0.22 -0.73 119.74 118.77 1qfg s LYS 306 Ca 0.00 -1.06 -0.14 0.00 0.02 0.00 0.00 55.97 54.79 1qfg s LYS 306 Cb -0.09 -0.45 0.03 0.00 -0.52 0.00 0.00 37.83 36.79 1qfg s LYS 306 CO 0.02 0.07 0.33 -0.08 -0.92 0.00 0.00 175.35 174.77 1qfg s THR 307 N -2.22 0.03 0.05 2.17 -1.32 -1.06 0.13 115.64 113.42 1qfg s THR 307 Ca 0.02 -0.27 -0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1qfg s THR 307 Cb -0.04 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.34 1qfg s THR 307 CO -0.00 -0.15 -0.04 -0.44 -2.21 0.00 0.00 174.62 171.78 1qfg s SER 308 N -0.69 0.58 -0.14 8.08 0.01 -0.14 -0.99 113.70 120.41 1qfg s SER 308 Ca -0.08 -0.95 -0.30 0.00 1.31 0.00 0.00 55.95 55.93 1qfg s SER 308 Cb -0.04 0.17 0.12 0.00 0.21 0.00 0.00 66.02 66.49 1qfg s SER 308 CO 0.03 -0.54 0.99 0.00 0.41 0.00 0.00 173.24 174.12 1qfg s GLN 309 N -3.64 0.61 -0.27 12.44 -2.07 -0.99 -0.49 119.66 125.26 1qfg s GLN 309 Ca 0.05 0.07 0.00 0.00 -1.82 0.00 0.00 55.36 53.67 1qfg s GLN 309 Cb 0.06 0.29 0.08 0.00 -1.09 0.00 0.00 33.01 32.34 1qfg s GLN 309 CO -0.08 -0.21 0.02 -0.80 -1.32 0.00 0.00 175.29 172.90 1qfg s ASN 310 N -1.35 3.93 -0.03 12.60 0.02 0.18 -0.36 114.94 129.94 1qfg s ASN 310 Ca -0.00 -1.42 -0.00 0.00 -1.02 0.00 0.00 52.86 50.41 1qfg s ASN 310 Cb -0.01 -1.09 0.03 0.00 0.02 0.00 0.00 41.25 40.21 1qfg s ASN 310 CO -0.00 -0.32 0.02 -0.44 0.02 0.00 0.00 177.10 176.38 1qfg s SER 311 N 1.44 0.34 -0.19 -1.22 0.01 0.20 -0.38 113.70 113.90 1qfg s SER 311 Ca 0.02 0.02 -0.12 0.00 1.31 0.00 0.00 55.95 57.18 1qfg s SER 311 Cb -0.18 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 1qfg s SER 311 CO -0.12 -0.14 0.24 -0.69 0.41 0.00 0.00 173.24 172.94 1qfg s VAL 312 N 1.22 5.33 0.11 3.43 1.01 -1.26 -0.41 120.40 129.84 1qfg s VAL 312 Ca -0.07 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.36 1qfg s VAL 312 Cb -0.13 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1qfg s VAL 312 CO -0.03 0.37 -0.13 -0.72 0.00 0.00 0.00 175.10 174.60 1qfg s TYR 313 N 0.67 1.29 0.63 5.22 1.13 -0.66 -4.02 117.35 121.62 1qfg s TYR 313 Ca 0.13 -0.58 -0.16 0.00 -1.41 0.00 0.00 57.07 55.04 1qfg s TYR 313 Cb -0.13 -0.68 -0.01 0.00 -1.10 0.00 0.00 41.96 40.03 1qfg s TYR 313 CO 0.03 0.10 1.12 0.20 -2.51 0.00 0.00 175.55 174.49 1qfg s GLY 314 N -2.44 2.29 -0.28 5.49 0.00 -1.24 -0.51 107.32 110.64 1qfg s GLY 314 Ca 0.08 0.63 0.21 0.00 0.00 0.00 0.00 44.72 45.64 1qfg s GLY 314 CO 0.02 0.99 1.21 2.98 0.00 0.00 0.00 173.10 178.30 1qfg n TYR 315 N -2.13 0.50 0.00 1.90 9.36 0.87 -4.56 117.16 123.10 1qfg n TYR 315 Ca 0.11 -2.04 0.00 0.00 3.32 0.00 0.00 57.90 59.29 1qfg n TYR 315 Cb 0.52 0.18 0.00 0.00 -0.63 0.00 0.00 39.34 39.41 1qfg n TYR 315 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1qfg n GLY 316 N -0.82 -1.92 3.83 2.98 0.00 -1.25 -4.53 105.19 103.48 1qfg n GLY 316 Ca 0.01 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 1qfg n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qfg s VAL 317 N -2.12 4.18 0.62 1.61 -7.23 -1.25 0.00 120.40 116.22 1qfg s VAL 317 Ca 0.00 0.96 0.32 0.00 -1.81 0.00 0.00 61.98 61.44 1qfg s VAL 317 Cb 0.00 -3.55 0.36 0.00 0.56 0.00 0.00 36.38 33.75 1qfg s VAL 317 CO 0.00 -0.68 2.07 0.00 -0.31 0.00 0.00 175.10 176.17 1qfg n SER 319 N -3.40 0.52 -4.74 0.00 3.41 -0.35 -4.76 113.62 104.31 1qfg n SER 319 Ca 0.01 -1.15 -0.39 0.00 -0.26 0.00 0.00 58.87 57.08 1qfg n SER 319 Cb 0.34 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 1qfg n SER 319 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qfg s ASP 320 N -2.02 7.01 0.37 4.04 -1.08 -0.06 -4.94 116.67 119.99 1qfg s ASP 320 Ca 0.44 1.21 0.24 0.00 -0.52 0.00 0.00 52.55 53.92 1qfg s ASP 320 Cb 0.22 -2.40 1.30 0.00 -1.46 0.00 0.00 42.92 40.57 1qfg s ASP 320 CO 0.36 -0.00 1.45 -2.65 0.52 0.00 0.00 175.17 174.85 1qfg n PRO 321 N 3.18 -0.05 0.03 4.34 -0.02 -1.26 0.67 135.00 141.89 1qfg n PRO 321 Ca -0.04 1.23 0.04 0.00 -2.02 0.00 0.00 63.50 62.71 1qfg n PRO 321 Cb 0.51 -2.29 0.20 0.00 -0.02 0.00 0.00 33.50 31.90 1qfg n PRO 321 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qfg n ALA 322 N -2.40 1.28 -1.00 3.55 0.00 -1.26 -1.62 120.51 119.06 1qfg n ALA 322 Ca 0.36 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.90 1qfg n ALA 322 Cb 1.29 -1.14 0.16 0.00 0.00 0.00 0.00 19.45 19.77 1qfg n ALA 322 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qfg n ASN 323 N -1.63 2.71 -0.40 0.00 3.02 0.21 -4.79 115.26 114.39 1qfg n ASN 323 Ca 0.01 -3.02 -0.07 0.00 -0.03 0.00 0.00 54.58 51.47 1qfg n ASN 323 Cb 0.08 -0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 38.76 1qfg n ASN 323 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qfg h ALA 324 N 0.46 -0.29 -0.16 5.41 0.00 -1.39 -1.05 119.26 122.23 1qfg h ALA 324 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1qfg h ALA 324 Cb 1.08 1.24 0.00 0.00 0.00 0.00 0.00 17.79 20.11 1qfg h ALA 324 CO 0.05 -0.84 0.00 0.66 0.00 0.00 0.00 179.25 179.12 1qfg n TYR 325 N -5.34 0.21 -2.61 0.00 4.01 -1.26 -4.81 117.16 107.37 1qfg n TYR 325 Ca 0.05 -0.11 -0.43 0.00 -0.16 0.00 0.00 57.90 57.25 1qfg n TYR 325 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.32 1qfg n TYR 325 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qfg s SER 326 N -1.16 7.04 0.04 7.72 0.15 -0.40 -4.94 113.70 122.16 1qfg s SER 326 Ca 0.17 1.39 -0.26 0.00 0.70 0.00 0.00 55.95 57.96 1qfg s SER 326 Cb 0.09 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 61.69 1qfg s SER 326 CO 0.13 -0.72 1.50 0.11 1.20 0.00 0.00 173.24 175.46 1qfg h LYS 327 N 7.71 -0.25 -0.26 5.44 1.57 -1.88 0.07 116.57 128.98 1qfg h LYS 327 Ca -0.21 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1qfg h LYS 327 Cb 1.07 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1qfg h LYS 327 CO 0.99 -0.03 0.38 1.96 -0.57 0.00 0.00 179.45 182.18 1qfg h GLN 328 N -0.43 0.00 0.17 3.15 4.20 -1.92 -1.33 115.11 118.95 1qfg h GLN 328 Ca -0.03 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.42 1qfg h GLN 328 Cb 0.33 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.13 1qfg h GLN 328 CO 0.04 0.00 -1.23 0.00 -0.67 0.00 0.00 178.83 176.98 1qfg h ALA 330 N 0.07 1.35 0.00 0.00 0.00 0.00 -2.96 119.26 117.72 1qfg h ALA 330 Ca -0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1qfg h ALA 330 Cb 1.86 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1qfg h ALA 330 CO 0.17 0.59 0.00 0.00 0.00 0.00 0.00 179.25 180.01 1qfg n ALA 331 N -2.40 1.59 -2.19 0.00 0.00 -0.60 -4.76 120.51 112.15 1qfg n ALA 331 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 1qfg n ALA 331 Cb 0.03 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 1qfg n ALA 331 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qfg s LEU 332 N 0.00 2.45 -0.20 0.00 1.43 -1.12 -5.05 118.68 116.18 1qfg s LEU 332 Ca 0.00 -1.03 -0.29 0.00 -1.03 0.00 0.00 54.13 51.78 1qfg s LEU 332 Cb 0.00 -0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 1qfg s LEU 332 CO 0.00 -0.47 1.98 0.00 0.23 0.00 0.00 176.35 178.09 1qfg s ALA 333 N -3.61 2.99 0.02 4.21 0.00 -1.26 -4.83 121.76 119.28 1qfg s ALA 333 Ca 0.14 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1qfg s ALA 333 Cb 0.05 -3.99 0.05 0.00 0.00 0.00 0.00 23.12 19.24 1qfg s ALA 333 CO -0.03 -2.42 0.11 -2.30 0.00 0.00 0.00 175.76 171.12 1qfg n PRO 334 N 8.30 -0.01 0.00 0.00 -0.02 -1.26 0.37 135.00 142.39 1qfg n PRO 334 Ca 0.25 0.10 0.12 0.00 -2.02 0.00 0.00 63.50 61.95 1qfg n PRO 334 Cb 0.45 -0.16 0.60 0.00 -0.02 0.00 0.00 33.50 34.36 1qfg n PRO 334 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qfg n ALA 335 N -3.61 2.22 -0.07 3.55 0.00 -1.26 -3.06 120.51 118.27 1qfg n ALA 335 Ca 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1qfg n ALA 335 Cb 0.05 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 17.96 1qfg n ALA 335 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qfg n ASP 336 N -1.28 0.12 -0.35 0.00 8.00 1.16 -4.56 116.55 119.63 1qfg n ASP 336 Ca 0.11 0.06 0.30 0.00 0.71 0.00 0.00 54.79 55.97 1qfg n ASP 336 Cb 0.19 1.06 0.56 0.00 -0.02 0.00 0.00 41.12 42.91 1qfg n ASP 336 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1qfg h LYS 337 N 0.00 0.12 -0.77 -1.24 1.57 -1.46 -0.89 116.57 113.91 1qfg h LYS 337 Ca -0.40 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1qfg h LYS 337 Cb 1.94 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.22 1qfg h LYS 337 CO 0.03 0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.40 1qfg n GLY 338 N -1.32 1.76 0.31 3.86 0.00 -1.26 -1.14 105.19 107.39 1qfg n GLY 338 Ca 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1qfg n GLY 338 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1qfg n HIS 339 N 0.22 0.00 -4.40 1.61 1.44 -0.34 -4.33 115.22 109.42 1qfg n HIS 339 Ca 0.09 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.53 1qfg n HIS 339 Cb 0.53 -0.03 -0.11 0.00 0.12 0.00 0.00 29.99 30.49 1qfg n HIS 339 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1qfg s TYR 340 N 0.00 2.36 -0.13 -1.40 1.51 -1.22 -1.85 117.35 116.63 1qfg s TYR 340 Ca 0.00 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1qfg s TYR 340 Cb 0.00 -1.17 0.01 0.00 -0.11 0.00 0.00 41.96 40.69 1qfg s TYR 340 CO 0.00 0.50 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.58 1qfg s LEU 341 N -2.67 1.92 0.24 -1.29 2.96 0.19 -1.66 118.68 118.38 1qfg s LEU 341 Ca 0.21 -0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 53.30 1qfg s LEU 341 Cb -0.08 -1.27 -0.09 0.00 0.50 0.00 0.00 46.19 45.25 1qfg s LEU 341 CO 0.11 0.05 0.95 0.00 -1.32 0.00 0.00 176.35 176.13 1qfg s ALA 342 N 0.92 3.34 0.06 5.97 0.00 0.10 -2.23 121.76 129.92 1qfg s ALA 342 Ca -0.06 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.56 1qfg s ALA 342 Cb -0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1qfg s ALA 342 CO -0.02 0.19 -0.11 1.03 0.00 0.00 0.00 175.76 176.85 1qfg s ARG 343 N -1.22 0.68 0.00 0.00 0.52 -1.26 -0.09 118.95 117.57 1qfg s ARG 343 Ca 0.41 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1qfg s ARG 343 Cb -0.26 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 34.64 1qfg s ARG 343 CO 0.32 0.12 0.00 1.63 0.02 0.00 0.00 175.30 177.39 1qfg n LYS 344 N 1.37 2.21 -3.70 3.54 5.02 0.34 -3.94 118.16 123.00 1qfg n LYS 344 Ca -0.22 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.01 1qfg n LYS 344 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.54 1qfg n LYS 344 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1qfg s TYR 345 N 0.00 -0.22 -0.01 2.13 -0.85 -1.26 -1.66 117.35 115.49 1qfg s TYR 345 Ca 0.00 -0.07 -0.14 0.00 -0.52 0.00 0.00 57.07 56.34 1qfg s TYR 345 Cb 0.00 0.63 0.02 0.00 0.38 0.00 0.00 41.96 42.99 1qfg s TYR 345 CO 0.00 -0.85 0.29 0.54 -1.52 0.00 0.00 175.55 174.01 1qfg s VAL 346 N -3.41 0.06 -0.08 -3.49 0.11 0.46 -1.26 120.40 112.79 1qfg s VAL 346 Ca 0.10 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.68 1qfg s VAL 346 Cb -0.02 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.25 1qfg s VAL 346 CO -0.00 -0.27 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.64 1qfg s VAL 347 N -1.30 1.47 0.03 2.04 1.01 -0.75 0.59 120.40 123.50 1qfg s VAL 347 Ca -0.13 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1qfg s VAL 347 Cb -0.05 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1qfg s VAL 347 CO 0.04 0.43 -0.04 -0.62 0.00 0.00 0.00 175.10 174.90 1qfg s ASP 348 N 0.62 0.46 -0.15 3.32 2.15 0.52 -1.34 116.67 122.24 1qfg s ASP 348 Ca -0.15 -0.56 -0.07 0.00 0.43 0.00 0.00 52.55 52.20 1qfg s ASP 348 Cb -0.16 0.09 0.06 0.00 -0.30 0.00 0.00 42.92 42.61 1qfg s ASP 348 CO 0.04 -0.30 0.33 -0.62 -0.17 0.00 0.00 175.17 174.46 1qfg s ASP 349 N -1.64 -0.18 0.02 -0.34 -1.08 -0.95 -2.34 116.67 110.15 1qfg s ASP 349 Ca -0.12 0.74 -0.07 0.00 -0.52 0.00 0.00 52.55 52.58 1qfg s ASP 349 Cb -0.08 0.77 -0.00 0.00 -1.46 0.00 0.00 42.92 42.14 1qfg s ASP 349 CO -0.01 -0.20 0.13 -1.61 0.52 0.00 0.00 175.17 173.99 1qfg s GLU 350 N 1.85 0.52 -0.18 4.34 2.02 -0.16 -1.61 118.70 125.49 1qfg s GLU 350 Ca -0.05 -0.52 -0.09 0.00 0.02 0.00 0.00 54.97 54.33 1qfg s GLU 350 Cb -0.11 0.21 0.06 0.00 0.10 0.00 0.00 34.13 34.40 1qfg s GLU 350 CO -0.11 -0.13 0.42 0.21 0.02 0.00 0.00 175.26 175.68 1qfg s LYS 351 N -1.80 0.39 0.12 1.61 2.20 -1.02 -2.57 119.74 118.67 1qfg s LYS 351 Ca -0.12 0.85 0.07 0.00 -0.36 0.00 0.00 55.97 56.41 1qfg s LYS 351 Cb -0.06 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 1qfg s LYS 351 CO -0.00 -0.18 -0.16 -0.48 -0.36 0.00 0.00 175.35 174.17 1qfg s LEU 352 N 1.62 2.38 0.02 5.43 0.05 0.09 -1.30 118.68 126.97 1qfg s LEU 352 Ca -0.08 -0.77 0.07 0.00 0.05 0.00 0.00 54.13 53.39 1qfg s LEU 352 Cb -0.09 -0.65 -0.02 0.00 -2.05 0.00 0.00 46.19 43.38 1qfg s LEU 352 CO -0.13 -0.08 -0.21 -1.10 -0.55 0.00 0.00 176.35 174.28 1qfg s GLN 353 N -2.45 1.53 -0.07 1.48 -1.52 -0.14 -0.88 119.66 117.62 1qfg s GLN 353 Ca 0.08 -0.86 -0.03 0.00 -1.95 0.00 0.00 55.36 52.60 1qfg s GLN 353 Cb -0.07 -1.58 0.04 0.00 -0.22 0.00 0.00 33.01 31.19 1qfg s GLN 353 CO 0.04 0.42 0.12 1.21 -0.25 0.00 0.00 175.29 176.83 1qfg s ASN 354 N -0.89 0.69 -0.00 5.90 3.04 0.52 -0.94 114.94 123.27 1qfg s ASN 354 Ca 0.08 0.24 0.08 0.00 0.04 0.00 0.00 52.86 53.29 1qfg s ASN 354 Cb -0.08 0.13 -0.02 0.00 -1.54 0.00 0.00 41.25 39.73 1qfg s ASN 354 CO 0.01 -0.23 -0.24 0.12 -3.04 0.00 0.00 177.10 173.72 1qfg s PHE 355 N 2.03 2.40 -0.07 0.43 5.36 -0.58 0.30 117.98 127.86 1qfg s PHE 355 Ca 0.01 -0.38 -0.10 0.00 -0.96 0.00 0.00 56.93 55.50 1qfg s PHE 355 Cb -0.12 -1.49 0.02 0.00 -0.34 0.00 0.00 43.02 41.09 1qfg s PHE 355 CO -0.05 0.06 0.26 -1.12 -1.46 0.00 0.00 175.22 172.90 1qfg s SER 356 N -0.85 -0.21 -0.13 6.13 0.01 0.65 -2.23 113.70 117.07 1qfg s SER 356 Ca 0.11 0.32 -0.10 0.00 1.31 0.00 0.00 55.95 57.59 1qfg s SER 356 Cb -0.10 0.44 0.04 0.00 0.21 0.00 0.00 66.02 66.61 1qfg s SER 356 CO 0.00 -0.22 0.34 -0.69 0.41 0.00 0.00 173.24 173.09 1qfg s VAL 357 N -0.43 -0.01 -0.06 3.43 1.01 -0.87 0.34 120.40 123.81 1qfg s VAL 357 Ca -0.05 0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1qfg s VAL 357 Cb -0.04 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.87 1qfg s VAL 357 CO 0.01 0.02 -0.07 -0.62 0.00 0.00 0.00 175.10 174.44 1qfg s ASP 358 N 0.66 1.31 -0.04 3.32 2.15 -0.10 -1.04 116.67 122.93 1qfg s ASP 358 Ca -0.04 -0.20 0.04 0.00 0.43 0.00 0.00 52.55 52.78 1qfg s ASP 358 Cb -0.05 -0.60 -0.00 0.00 -0.30 0.00 0.00 42.92 41.96 1qfg s ASP 358 CO -0.04 -0.03 -0.16 -0.89 -0.17 0.00 0.00 175.17 173.88 1qfg s THR 359 N 0.87 1.36 0.01 1.71 2.01 0.11 -0.75 115.64 120.96 1qfg s THR 359 Ca -0.11 -0.68 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 1qfg s THR 359 Cb -0.15 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.19 1qfg s THR 359 CO 0.01 0.39 0.11 0.00 -0.69 0.00 0.00 174.62 174.45 1qfg s GLN 360 N 0.06 0.46 -0.12 4.92 -2.07 -0.01 -0.95 119.66 121.94 1qfg s GLN 360 Ca -0.04 -0.43 0.02 0.00 -1.82 0.00 0.00 55.36 53.10 1qfg s GLN 360 Cb -0.11 0.19 0.01 0.00 -1.09 0.00 0.00 33.01 32.01 1qfg s GLN 360 CO 0.02 -0.11 -0.19 -1.17 -1.32 0.00 0.00 175.29 172.53 1qfg s LEU 361 N -1.39 1.92 -0.17 2.60 2.96 -0.29 -0.91 118.68 123.40 1qfg s LEU 361 Ca -0.15 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1qfg s LEU 361 Cb -0.08 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 1qfg s LEU 361 CO 0.01 0.05 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.46 1qfg s GLN 362 N 0.90 3.55 -0.18 1.98 0.74 0.03 -2.00 119.66 124.68 1qfg s GLN 362 Ca -0.07 -0.57 0.01 0.00 0.05 0.00 0.00 55.36 54.78 1qfg s GLN 362 Cb -0.15 -2.91 0.03 0.00 1.10 0.00 0.00 33.01 31.08 1qfg s GLN 362 CO -0.02 0.10 -0.13 -1.12 -0.55 0.00 0.00 175.29 173.57 1qfg s SER 363 N 0.72 3.21 -0.07 6.67 0.01 -0.67 -1.65 113.70 121.91 1qfg s SER 363 Ca -0.02 -0.76 -0.08 0.00 1.31 0.00 0.00 55.95 56.40 1qfg s SER 363 Cb -0.15 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.77 1qfg s SER 363 CO 0.02 -0.10 0.20 -0.54 0.41 0.00 0.00 173.24 173.23 1qfg s LYS 364 N 1.39 3.53 -0.16 12.44 -0.14 -0.44 -0.66 119.74 135.69 1qfg s LYS 364 Ca 0.01 -0.07 -0.35 0.00 -1.36 0.00 0.00 55.97 54.21 1qfg s LYS 364 Cb -0.15 -3.17 0.14 0.00 -1.68 0.00 0.00 37.83 32.97 1qfg s LYS 364 CO -0.09 0.74 1.28 -0.59 -0.76 0.00 0.00 175.35 175.92 1qfg s PHE 365 N -1.11 -0.07 0.32 3.18 -0.12 -0.61 -4.56 117.98 115.00 1qfg s PHE 365 Ca 0.20 0.02 0.08 0.00 -0.05 0.00 0.00 56.93 57.18 1qfg s PHE 365 Cb -0.13 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1qfg s PHE 365 CO 0.09 -0.17 0.16 0.00 -0.05 0.00 0.00 175.22 175.25 1qfg s ALA 366 N -2.31 3.52 -0.40 1.99 0.00 -1.26 0.43 121.76 123.73 1qfg s ALA 366 Ca 0.11 -1.72 0.03 0.00 0.00 0.00 0.00 51.96 50.39 1qfg s ALA 366 Cb 0.01 -0.89 0.16 0.00 0.00 0.00 0.00 23.12 22.40 1qfg s ALA 366 CO -0.04 0.09 0.31 -0.08 0.00 0.00 0.00 175.76 176.04 1qfg s THR 367 N -2.35 0.36 0.00 0.00 -1.32 0.18 -4.97 115.64 107.53 1qfg s THR 367 Ca 0.37 -2.48 0.00 0.00 -1.21 0.00 0.00 61.69 58.37 1qfg s THR 367 Cb -0.04 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.68 1qfg s THR 367 CO 0.23 -1.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.08 1qfg n GLY 368 N 3.10 1.36 1.53 6.08 0.00 -1.26 -0.82 105.19 115.18 1qfg n GLY 368 Ca 0.25 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.66 1qfg n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qfg n ASP 369 N 11.68 4.92 -4.20 1.61 10.43 -1.26 -4.86 116.55 134.87 1qfg n ASP 369 Ca 0.00 -2.74 -0.34 0.00 2.57 0.00 0.00 54.79 54.28 1qfg n ASP 369 Cb 0.00 -0.60 -0.15 0.00 1.84 0.00 0.00 41.12 42.21 1qfg n ASP 369 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1qfg s ILE 370 N -2.38 2.71 -0.08 0.53 1.01 0.00 -4.41 121.20 118.59 1qfg s ILE 370 Ca 0.50 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 1qfg s ILE 370 Cb 0.36 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1qfg s ILE 370 CO 0.18 0.38 0.21 -1.81 0.00 0.00 0.00 174.94 173.90 1qfg s ASP 371 N 1.35 6.50 0.04 3.58 1.01 0.27 0.48 116.67 129.89 1qfg s ASP 371 Ca 0.03 0.59 0.07 0.00 0.71 0.00 0.00 52.55 53.95 1qfg s ASP 371 Cb -0.15 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.65 1qfg s ASP 371 CO -0.07 0.37 -0.19 -1.00 0.21 0.00 0.00 175.17 174.49 1qfg s HIS 372 N -1.07 1.70 -0.23 4.23 3.76 0.17 -0.29 115.29 123.56 1qfg s HIS 372 Ca 0.18 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.74 1qfg s HIS 372 Cb -0.13 -1.02 0.05 0.00 1.11 0.00 0.00 32.58 32.59 1qfg s HIS 372 CO 0.07 0.07 -0.10 0.99 -0.85 0.00 0.00 174.74 174.93 1qfg s THR 373 N -0.78 1.86 -0.31 1.30 2.01 0.35 -1.57 115.64 118.50 1qfg s THR 373 Ca 0.06 -1.31 -0.05 0.00 0.31 0.00 0.00 61.69 60.70 1qfg s THR 373 Cb -0.09 -1.97 0.03 0.00 0.01 0.00 0.00 72.50 70.48 1qfg s THR 373 CO 0.02 0.05 0.06 -0.22 -0.69 0.00 0.00 174.62 173.84 1qfg s LEU 374 N 1.27 3.95 -0.18 4.42 2.96 0.17 0.20 118.68 131.46 1qfg s LEU 374 Ca -0.05 -0.97 -0.09 0.00 -0.22 0.00 0.00 54.13 52.80 1qfg s LEU 374 Cb -0.18 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 1qfg s LEU 374 CO -0.07 -0.25 0.13 -0.22 -1.32 0.00 0.00 176.35 174.63 1qfg s LEU 375 N 1.41 4.23 -0.03 -0.68 2.96 0.81 -1.68 118.68 125.70 1qfg s LEU 375 Ca -0.00 0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1qfg s LEU 375 Cb -0.18 -2.08 0.03 0.00 0.50 0.00 0.00 46.19 44.45 1qfg s LEU 375 CO 0.01 0.22 0.02 0.42 -1.32 0.00 0.00 176.35 175.70 1qfg s THR 376 N 0.11 0.07 0.21 3.68 -4.23 -0.84 0.02 115.64 114.65 1qfg s THR 376 Ca 0.09 0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 60.58 1qfg s THR 376 Cb -0.11 -0.20 0.03 0.00 1.34 0.00 0.00 72.50 73.56 1qfg s THR 376 CO -0.01 0.13 0.56 -0.83 -0.54 0.00 0.00 174.62 173.94 1qfg s GLY 377 N 1.18 -0.11 -0.08 3.99 0.00 -0.75 -1.14 107.32 110.42 1qfg s GLY 377 Ca -0.08 -0.21 0.04 0.00 0.00 0.00 0.00 44.72 44.47 1qfg s GLY 377 CO -0.02 -0.21 -0.19 -1.34 0.00 0.00 0.00 173.10 171.33 1qfg s VAL 378 N -3.88 1.66 -0.08 1.40 -7.23 -0.13 -1.55 120.40 110.60 1qfg s VAL 378 Ca 0.10 -0.80 0.05 0.00 -1.81 0.00 0.00 61.98 59.52 1qfg s VAL 378 Cb -0.02 -1.45 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 1qfg s VAL 378 CO -0.01 0.47 -0.24 -0.62 -0.31 0.00 0.00 175.10 174.39 1qfg s ASP 379 N 0.36 3.00 0.01 4.85 2.15 -0.27 -0.71 116.67 126.06 1qfg s ASP 379 Ca -0.14 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 52.32 1qfg s ASP 379 Cb -0.16 -1.07 -0.01 0.00 -0.30 0.00 0.00 42.92 41.38 1qfg s ASP 379 CO 0.06 0.20 -0.02 0.12 -0.17 0.00 0.00 175.17 175.35 1qfg s PHE 380 N 0.08 0.22 0.06 -5.34 5.36 -0.20 -0.36 117.98 117.80 1qfg s PHE 380 Ca -0.11 -0.21 -0.16 0.00 -0.96 0.00 0.00 56.93 55.49 1qfg s PHE 380 Cb -0.16 -0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.41 1qfg s PHE 380 CO 0.06 -0.06 0.37 0.00 -1.46 0.00 0.00 175.22 174.13 1qfg s MET 381 N -0.58 0.92 -0.00 10.12 0.23 -0.59 -2.05 119.30 127.36 1qfg s MET 381 Ca -0.05 -0.50 0.00 0.00 -1.03 0.00 0.00 55.69 54.11 1qfg s MET 381 Cb -0.04 0.41 -0.00 0.00 -1.53 0.00 0.00 34.83 33.66 1qfg s MET 381 CO -0.00 -0.32 -0.01 -0.98 -2.03 0.00 0.00 175.02 171.67 1qfg s ARG 382 N -2.86 0.11 0.00 3.16 1.70 -0.95 -1.84 118.95 118.28 1qfg s ARG 382 Ca -0.03 -0.06 0.03 0.00 -0.47 0.00 0.00 55.73 55.20 1qfg s ARG 382 Cb 0.00 -0.10 -0.01 0.00 -0.57 0.00 0.00 34.95 34.27 1qfg s ARG 382 CO -0.05 0.03 -0.09 1.41 -1.08 0.00 0.00 175.30 175.51 1qfg s MET 383 N -0.07 0.73 -0.03 3.89 1.75 -0.29 -1.52 119.30 123.75 1qfg s MET 383 Ca 0.00 -0.40 0.01 0.00 -1.25 0.00 0.00 55.69 54.05 1qfg s MET 383 Cb -0.01 -0.69 0.02 0.00 2.84 0.00 0.00 34.83 36.98 1qfg s MET 383 CO -0.00 0.18 -0.05 0.50 -0.65 0.00 0.00 175.02 175.00 1qfg s ARG 384 N -0.42 0.78 -0.05 4.11 3.52 -0.12 -0.81 118.95 125.96 1qfg s ARG 384 Ca 0.02 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1qfg s ARG 384 Cb -0.04 -0.77 0.02 0.00 -1.56 0.00 0.00 34.95 32.60 1qfg s ARG 384 CO -0.00 -0.02 -0.02 1.21 -0.81 0.00 0.00 175.30 175.66 1qfg s ASN 385 N 0.62 1.02 -0.33 -2.12 2.47 0.42 -0.96 114.94 116.05 1qfg s ASN 385 Ca -0.08 -0.09 -0.07 0.00 0.42 0.00 0.00 52.86 53.03 1qfg s ASN 385 Cb -0.12 -0.39 0.03 0.00 -1.45 0.00 0.00 41.25 39.32 1qfg s ASN 385 CO 0.00 -0.11 0.12 -0.62 -3.72 0.00 0.00 177.10 172.77 1qfg s ASP 386 N 1.26 5.34 -0.09 -4.21 -1.08 -0.42 -0.50 116.67 116.97 1qfg s ASP 386 Ca -0.06 -1.01 -0.01 0.00 -0.52 0.00 0.00 52.55 50.95 1qfg s ASP 386 Cb -0.14 -1.90 -0.03 0.00 -1.46 0.00 0.00 42.92 39.40 1qfg s ASP 386 CO -0.02 -0.30 -0.03 -0.63 0.52 0.00 0.00 175.17 174.70 1qfg s ILE 387 N 1.45 3.99 -0.34 4.11 1.01 0.32 -2.42 121.20 129.32 1qfg s ILE 387 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 1qfg s ILE 387 Cb -0.19 -2.67 0.13 0.00 0.01 0.00 0.00 42.46 39.75 1qfg s ILE 387 CO 0.03 0.58 0.23 0.21 0.00 0.00 0.00 174.94 175.99 1qfg s ASN 388 N -0.64 2.71 0.25 3.58 3.04 -0.63 -0.62 114.94 122.62 1qfg s ASN 388 Ca 0.10 -1.80 0.01 0.00 0.04 0.00 0.00 52.86 51.22 1qfg s ASN 388 Cb -0.12 -0.17 -0.00 0.00 -1.54 0.00 0.00 41.25 39.42 1qfg s ASN 388 CO 0.02 -0.34 0.05 0.00 -3.04 0.00 0.00 177.10 173.79 1qfg n ALA 389 N 4.42 0.29 -3.67 1.71 0.00 0.17 -2.24 120.51 121.19 1qfg n ALA 389 Ca 0.07 -1.20 -0.10 0.00 0.00 0.00 0.00 53.44 52.21 1qfg n ALA 389 Cb 0.40 0.74 -0.10 0.00 0.00 0.00 0.00 19.45 20.50 1qfg n ALA 389 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1qfg s TRP 390 N -2.24 -0.72 -0.11 0.00 -0.11 -0.45 -0.50 118.94 114.80 1qfg s TRP 390 Ca 0.07 1.51 0.03 0.00 1.22 0.00 0.00 56.10 58.92 1qfg s TRP 390 Cb 0.00 0.36 0.01 0.00 -1.50 0.00 0.00 33.47 32.34 1qfg s TRP 390 CO 0.05 -0.39 -0.20 -0.06 -4.62 0.00 0.00 176.95 171.73 1qfg s PHE 391 N 1.43 2.35 0.27 5.86 0.40 0.13 -1.80 117.98 126.62 1qfg s PHE 391 Ca -0.09 -1.07 -0.29 0.00 -0.60 0.00 0.00 56.93 54.87 1qfg s PHE 391 Cb -0.07 -1.61 -0.10 0.00 0.51 0.00 0.00 43.02 41.74 1qfg s PHE 391 CO -0.14 -0.49 1.31 0.20 0.70 0.00 0.00 175.22 176.80 1qfg s GLY 392 N 0.69 2.73 0.00 4.36 0.00 -0.39 -1.46 107.32 113.26 1qfg s GLY 392 Ca -0.12 1.19 0.00 0.00 0.00 0.00 0.00 44.72 45.80 1qfg s GLY 392 CO 0.02 1.98 0.00 -1.72 0.00 0.00 0.00 173.10 173.39 1qfg n TYR 393 N 1.63 0.00 -0.31 1.90 4.01 0.31 -4.13 117.16 120.56 1qfg n TYR 393 Ca 0.03 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.91 1qfg n TYR 393 Cb 0.42 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.74 1qfg n TYR 393 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1qfg h ASP 394 N 0.00 -0.21 -1.44 7.72 3.32 -1.94 -2.39 116.42 121.48 1qfg h ASP 394 Ca 0.00 0.23 -0.57 0.00 0.02 0.00 0.00 57.03 56.71 1qfg h ASP 394 Cb 0.00 0.36 -0.42 0.00 0.22 0.00 0.00 39.33 39.49 1qfg h ASP 394 CO 0.00 -0.26 -0.77 0.47 -1.72 0.00 0.00 179.24 176.97 1qfg n ASP 395 N -5.35 4.50 0.03 6.45 9.92 -1.26 -4.70 116.55 126.15 1qfg n ASP 395 Ca 0.22 -3.65 0.13 0.00 -0.53 0.00 0.00 54.79 50.96 1qfg n ASP 395 Cb 0.73 -0.46 0.40 0.00 -0.64 0.00 0.00 41.12 41.15 1qfg n ASP 395 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1qfg n SER 396 N -0.47 0.42 -3.71 -2.24 3.41 -0.90 -4.91 113.62 105.21 1qfg n SER 396 Ca 0.37 0.25 -0.14 0.00 -0.26 0.00 0.00 58.87 59.10 1qfg n SER 396 Cb 0.69 -0.24 -0.09 0.00 -0.26 0.00 0.00 64.21 64.31 1qfg n SER 396 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qfg s VAL 397 N -3.05 0.03 0.97 -3.33 0.11 -1.25 -4.98 120.40 108.90 1qfg s VAL 397 Ca 0.11 -0.25 -0.24 0.00 -2.93 0.00 0.00 61.98 58.67 1qfg s VAL 397 Cb 0.16 -0.67 -0.18 0.00 -1.53 0.00 0.00 36.38 34.17 1qfg s VAL 397 CO 0.62 -0.14 -1.30 -2.65 -3.33 0.00 0.00 175.10 168.30 1qfg n PRO 398 N 1.73 0.00 -3.64 1.54 -0.02 -1.26 -4.47 135.00 128.89 1qfg n PRO 398 Ca -0.18 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.05 1qfg n PRO 398 Cb 0.56 -0.97 0.02 0.00 -0.02 0.00 0.00 33.50 33.10 1qfg n PRO 398 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qfg s LEU 399 N 7.77 2.73 -0.01 2.45 1.02 -1.26 -4.31 118.68 127.07 1qfg s LEU 399 Ca 0.36 -1.19 -0.00 0.00 0.02 0.00 0.00 54.13 53.32 1qfg s LEU 399 Cb 0.02 -1.20 0.01 0.00 0.02 0.00 0.00 46.19 45.04 1qfg s LEU 399 CO 0.69 -1.26 0.02 -0.76 0.02 0.00 0.00 176.35 175.05 1qfg s LEU 400 N -4.44 1.71 -0.11 1.79 1.43 -0.94 -4.90 118.68 113.21 1qfg s LEU 400 Ca 0.42 0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 53.33 1qfg s LEU 400 Cb -0.03 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.16 1qfg s LEU 400 CO 0.26 -0.04 0.61 0.21 0.23 0.00 0.00 176.35 177.63 1qfg s ASN 401 N 0.31 6.82 0.00 2.29 3.84 -1.26 -0.64 114.94 126.30 1qfg s ASN 401 Ca -0.03 0.99 0.22 0.00 0.21 0.00 0.00 52.86 54.25 1qfg s ASN 401 Cb -0.04 -2.36 0.71 0.00 -0.55 0.00 0.00 41.25 39.02 1qfg s ASN 401 CO -0.01 -0.11 1.54 0.18 -2.79 0.00 0.00 177.10 175.90 1qfg n LEU 402 N 4.03 1.96 0.02 3.21 4.32 -0.77 -4.23 117.00 125.54 1qfg n LEU 402 Ca -0.03 -0.80 -0.12 0.00 -0.02 0.00 0.00 56.01 55.04 1qfg n LEU 402 Cb 0.51 -0.11 -0.09 0.00 -1.62 0.00 0.00 43.42 42.11 1qfg n LEU 402 CO 0.45 0.40 0.46 1.88 -1.22 0.00 0.00 177.39 179.36 1qfg h TYR 403 N 2.66 -0.12 0.72 -1.77 -1.99 -1.90 -1.55 116.97 113.01 1qfg h TYR 403 Ca 0.00 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1qfg h TYR 403 Cb 0.58 0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.35 1qfg h TYR 403 CO 0.11 0.39 -0.43 -0.97 -0.00 0.00 0.00 178.16 177.26 1qfg h ASN 404 N -0.77 -1.09 -0.92 3.88 -0.00 -1.98 -2.72 115.58 111.98 1qfg h ASN 404 Ca -0.01 0.06 0.29 0.00 -0.00 0.00 0.00 56.30 56.64 1qfg h ASN 404 Cb 0.57 0.32 -0.17 0.00 -0.00 0.00 0.00 38.32 39.04 1qfg h ASN 404 CO 0.02 -0.68 0.15 -2.65 -0.00 0.00 0.00 177.43 174.28 1qfg n PRO 405 N -5.57 -0.07 0.15 6.67 -0.02 -1.25 0.39 135.00 135.29 1qfg n PRO 405 Ca -0.14 1.35 0.11 0.00 -2.02 0.00 0.00 63.50 62.80 1qfg n PRO 405 Cb 0.46 -2.22 0.54 0.00 -0.02 0.00 0.00 33.50 32.25 1qfg n PRO 405 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1qfg n SER 406 N -5.28 0.58 -4.57 2.55 2.88 -0.58 -4.48 113.62 104.71 1qfg n SER 406 Ca 0.25 0.72 -0.35 0.00 -1.33 0.00 0.00 58.87 58.16 1qfg n SER 406 Cb 0.85 -0.82 0.09 0.00 -0.75 0.00 0.00 64.21 63.58 1qfg n SER 406 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1qfg n SER 407 N -2.23 -0.06 0.22 -3.46 3.41 0.16 -4.45 113.62 107.21 1qfg n SER 407 Ca -0.00 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.30 1qfg n SER 407 Cb 0.10 -1.36 0.50 0.00 -0.26 0.00 0.00 64.21 63.20 1qfg n SER 407 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1qfg h HIS 408 N -0.46 0.00 -0.20 7.33 -0.00 -1.89 -2.58 115.15 117.34 1qfg h HIS 408 Ca -0.46 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 59.96 1qfg h HIS 408 Cb 1.33 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.67 1qfg h HIS 408 CO 0.39 0.25 -0.26 1.25 -0.00 0.00 0.00 177.93 179.56 1qfg h HIS 409 N 0.00 -0.71 -0.24 5.26 -0.00 -1.93 -0.62 115.15 116.90 1qfg h HIS 409 Ca -0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 1qfg h HIS 409 Cb 0.61 0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 28.36 1qfg h HIS 409 CO 0.00 -0.34 -0.09 0.45 -0.00 0.00 0.00 177.93 177.95 1qfg h HIS 410 N -0.30 0.56 -0.07 5.26 -0.00 -1.72 3.06 115.15 121.94 1qfg h HIS 410 Ca 0.12 -0.13 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1qfg h HIS 410 Cb 0.48 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.76 1qfg h HIS 410 CO -0.39 0.74 0.23 0.45 -0.00 0.00 0.00 177.93 178.95 1qfg h HIS 411 N 0.22 0.00 0.00 2.45 3.86 -1.29 0.28 115.15 120.68 1qfg h HIS 411 Ca 0.06 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.96 1qfg h HIS 411 Cb 0.57 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.99 1qfg h HIS 411 CO 0.06 0.00 -2.13 1.58 0.86 0.00 0.00 177.93 178.30 1qfg n HIS 412 N -3.20 0.00 -0.86 2.45 -0.00 -0.26 -4.59 115.22 108.77 1qfg n HIS 412 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.79 1qfg n HIS 412 Cb 0.31 -0.75 0.32 0.00 -0.00 0.00 0.00 29.99 29.87 1qfg n HIS 412 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1qfg n HIS 413 N -3.34 1.38 0.00 1.57 8.25 1.01 -5.06 115.22 119.03 1qfg n HIS 413 Ca -0.37 -0.76 0.00 0.00 -0.26 0.00 0.00 57.72 56.33 1qfg n HIS 413 Cb 0.84 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1qfg n HIS 413 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qfg n GLY 414 N 0.17 0.35 3.74 -1.41 0.00 0.97 -4.97 105.19 104.05 1qfg n GLY 414 Ca 0.24 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1qfg n GLY 414 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qfg s SER 415 N -1.57 2.39 -0.04 1.61 0.01 -1.26 -4.47 113.70 110.36 1qfg s SER 415 Ca 0.00 0.70 0.04 0.00 1.31 0.00 0.00 55.95 58.00 1qfg s SER 415 Cb 0.00 -1.04 -0.00 0.00 0.21 0.00 0.00 66.02 65.19 1qfg s SER 415 CO 0.00 -3.22 -0.18 -0.44 0.41 0.00 0.00 173.24 169.81 1qfg s SER 416 N -4.13 2.25 0.80 2.44 0.01 -1.26 -4.98 113.70 108.83 1qfg s SER 416 Ca 0.69 -0.37 -0.14 0.00 1.31 0.00 0.00 55.95 57.44 1qfg s SER 416 Cb -0.11 -0.62 0.04 0.00 0.21 0.00 0.00 66.02 65.54 1qfg s SER 416 CO 0.55 0.16 0.91 0.55 0.41 0.00 0.00 173.24 175.82 1qfg n VAL 417 N 3.12 1.82 -0.66 3.43 3.14 -1.26 -4.86 118.33 123.05 1qfg n VAL 417 Ca -0.18 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 1qfg n VAL 417 Cb 0.53 -1.01 0.00 0.00 -1.06 0.00 0.00 33.84 32.30 1qfg n VAL 417 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1qfg n ASN 418 N -2.13 0.00 -4.63 6.55 3.02 -1.26 -5.10 115.26 111.70 1qfg n ASN 418 Ca 0.12 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.38 1qfg n ASN 418 Cb 0.51 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.58 1qfg n ASN 418 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1qfg s THR 419 N 2.21 1.64 0.00 3.41 -4.23 -1.26 -4.67 115.64 112.74 1qfg s THR 419 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1qfg s THR 419 Cb 0.00 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1qfg s THR 419 CO 0.00 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.55 1qfg n ASP 420 N -1.05 0.00 -3.65 3.99 9.92 -1.26 -2.79 116.55 121.71 1qfg n ASP 420 Ca -0.09 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.19 1qfg n ASP 420 Cb 0.67 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.09 1qfg n ASP 420 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1qfg s PHE 421 N 0.00 -0.09 -0.34 1.24 5.36 -1.26 -4.56 117.98 118.33 1qfg s PHE 421 Ca 0.00 0.17 -0.29 0.00 -0.96 0.00 0.00 56.93 55.85 1qfg s PHE 421 Cb 0.00 0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.76 1qfg s PHE 421 CO 0.00 -0.04 1.13 0.34 -1.46 0.00 0.00 175.22 175.19 1qfg s ASP 422 N 1.04 6.83 0.00 6.13 -1.08 -1.26 -4.80 116.67 123.53 1qfg s ASP 422 Ca -0.08 0.99 0.26 0.00 -0.52 0.00 0.00 52.55 53.20 1qfg s ASP 422 Cb -0.02 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.55 1qfg s ASP 422 CO -0.10 -0.98 1.51 0.49 0.52 0.00 0.00 175.17 176.61 1qfg n PHE 423 N 7.17 0.00 -0.08 -5.34 3.72 -1.26 -4.00 117.46 117.67 1qfg n PHE 423 Ca 0.13 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.43 1qfg n PHE 423 Cb 0.47 -0.22 -0.16 0.00 -0.94 0.00 0.00 39.48 38.64 1qfg n PHE 423 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1qfg n ASN 424 N -1.21 0.20 -4.56 4.37 3.02 -1.26 -4.69 115.26 111.13 1qfg n ASN 424 Ca 0.08 0.09 -0.30 0.00 -0.03 0.00 0.00 54.58 54.43 1qfg n ASN 424 Cb 0.34 0.78 -0.04 0.00 -0.61 0.00 0.00 39.78 40.24 1qfg n ASN 424 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qfg s ALA 425 N -2.53 1.64 -0.71 5.41 0.00 -1.26 -4.83 121.76 119.49 1qfg s ALA 425 Ca -0.09 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 1qfg s ALA 425 Cb 0.07 -4.45 0.18 0.00 0.00 0.00 0.00 23.12 18.92 1qfg s ALA 425 CO 0.83 -4.67 0.64 0.15 0.00 0.00 0.00 175.76 172.71 1qfg s LYS 426 N 7.55 3.28 -0.18 0.00 -0.14 -1.26 -5.00 119.74 123.99 1qfg s LYS 426 Ca 0.77 -2.24 -0.29 0.00 -1.36 0.00 0.00 55.97 52.86 1qfg s LYS 426 Cb -0.11 -4.30 -0.04 0.00 -1.68 0.00 0.00 37.83 31.70 1qfg s LYS 426 CO 0.12 -1.28 1.69 0.34 -0.76 0.00 0.00 175.35 175.45 1qfg s ASP 427 N 2.41 6.36 0.12 2.83 2.15 -1.26 -4.83 116.67 124.46 1qfg s ASP 427 Ca 0.13 1.80 0.11 0.00 0.43 0.00 0.00 52.55 55.02 1qfg s ASP 427 Cb -0.17 -2.53 0.54 0.00 -0.30 0.00 0.00 42.92 40.46 1qfg s ASP 427 CO -0.05 -1.24 1.33 -2.65 -0.17 0.00 0.00 175.17 172.39 1qfg n PRO 428 N 7.65 0.06 0.31 4.34 -0.02 -1.26 -1.38 135.00 144.70 1qfg n PRO 428 Ca 0.19 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1qfg n PRO 428 Cb 0.45 -1.68 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 1qfg n PRO 428 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qfg h ALA 429 N 2.09 -0.90 -0.20 3.55 0.00 -2.02 -3.37 119.26 118.40 1qfg h ALA 429 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qfg h ALA 429 Cb 0.07 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1qfg h ALA 429 CO 0.00 -0.84 0.00 0.27 0.00 0.00 0.00 179.25 178.68 1qfg n ASN 430 N -5.06 3.10 -3.64 0.00 2.04 -1.02 -5.03 115.26 105.66 1qfg n ASN 430 Ca -0.10 -2.62 -0.12 0.00 -0.44 0.00 0.00 54.58 51.30 1qfg n ASN 430 Cb 0.33 -0.37 -0.06 0.00 -2.53 0.00 0.00 39.78 37.16 1qfg n ASN 430 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1qfg s SER 431 N -1.72 -0.30 0.30 0.53 0.15 -0.48 0.11 113.70 112.30 1qfg s SER 431 Ca 0.30 -0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.85 1qfg s SER 431 Cb 0.22 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.98 1qfg s SER 431 CO 0.09 -0.73 0.40 -0.83 1.20 0.00 0.00 173.24 173.36 1qfg s GLY 432 N -2.23 1.36 0.07 9.45 0.00 -0.53 -4.26 107.32 111.17 1qfg s GLY 432 Ca -0.03 -1.46 -0.00 0.00 0.00 0.00 0.00 44.72 43.22 1qfg s GLY 432 CO -0.05 -1.03 0.22 -4.14 0.00 0.00 0.00 173.10 168.10 1qfg s PRO 433 N -3.49 3.46 -0.16 2.90 0.02 -1.26 -0.70 135.00 135.76 1qfg s PRO 433 Ca 0.31 -0.41 -0.02 0.00 0.02 0.00 0.00 61.00 60.90 1qfg s PRO 433 Cb 0.01 -3.02 0.05 0.00 0.02 0.00 0.00 34.50 31.56 1qfg s PRO 433 CO 0.17 0.60 0.02 -0.47 -0.33 0.00 0.00 177.00 176.99 1qfg s TYR 434 N -1.52 0.95 -0.19 6.54 5.04 0.35 -4.87 117.35 123.64 1qfg s TYR 434 Ca 0.35 -0.67 -0.02 0.00 -2.44 0.00 0.00 57.07 54.29 1qfg s TYR 434 Cb -0.13 -0.98 0.06 0.00 0.35 0.00 0.00 41.96 41.26 1qfg s TYR 434 CO 0.28 -0.53 0.02 1.03 -1.34 0.00 0.00 175.55 175.00 1qfg s ARG 435 N 1.88 0.84 0.05 4.97 0.52 -1.26 0.45 118.95 126.41 1qfg s ARG 435 Ca 0.01 -0.49 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 1qfg s ARG 435 Cb -0.16 -2.13 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 1qfg s ARG 435 CO -0.07 -0.61 -0.08 0.42 0.02 0.00 0.00 175.30 174.98 1qfg s ILE 436 N 1.78 0.62 -0.22 1.52 -1.09 0.21 -0.76 121.20 123.26 1qfg s ILE 436 Ca -0.01 -1.20 -0.02 0.00 -2.23 0.00 0.00 60.65 57.18 1qfg s ILE 436 Cb -0.17 -0.78 0.07 0.00 -1.58 0.00 0.00 42.46 39.99 1qfg s ILE 436 CO -0.08 -0.42 0.03 -0.22 -1.23 0.00 0.00 174.94 173.03 1qfg s LEU 437 N -1.77 1.62 -0.00 2.97 2.96 -0.35 0.12 118.68 124.23 1qfg s LEU 437 Ca -0.07 -1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 52.79 1qfg s LEU 437 Cb -0.08 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 1qfg s LEU 437 CO 0.00 -0.31 0.12 0.20 -1.32 0.00 0.00 176.35 175.04 1qfg s ASN 438 N 1.73 5.94 0.01 3.68 0.01 0.34 -1.30 114.94 125.35 1qfg s ASN 438 Ca 0.00 0.21 0.01 0.00 -0.71 0.00 0.00 52.86 52.38 1qfg s ASN 438 Cb -0.17 -1.76 -0.01 0.00 0.41 0.00 0.00 41.25 39.71 1qfg s ASN 438 CO -0.11 0.26 -0.05 -0.54 -1.51 0.00 0.00 177.10 175.16 1qfg s LYS 439 N -1.85 0.35 0.02 -0.60 1.02 -0.66 -0.44 119.74 117.59 1qfg s LYS 439 Ca 0.25 -0.35 -0.02 0.00 0.02 0.00 0.00 55.97 55.87 1qfg s LYS 439 Cb -0.12 -0.24 -0.02 0.00 -0.52 0.00 0.00 37.83 36.93 1qfg s LYS 439 CO 0.16 0.05 0.01 -0.65 -0.92 0.00 0.00 175.35 174.00 1qfg s GLN 440 N -0.64 0.40 -0.05 1.68 -0.21 0.01 -2.33 119.66 118.53 1qfg s GLN 440 Ca -0.04 -0.68 -0.16 0.00 0.02 0.00 0.00 55.36 54.50 1qfg s GLN 440 Cb -0.05 0.15 0.03 0.00 1.00 0.00 0.00 33.01 34.14 1qfg s GLN 440 CO -0.00 -0.08 0.37 0.21 -2.12 0.00 0.00 175.29 173.67 1qfg s LYS 441 N -1.89 0.67 -0.26 2.91 2.20 -0.05 -1.14 119.74 122.17 1qfg s LYS 441 Ca -0.12 0.02 -0.16 0.00 -0.36 0.00 0.00 55.97 55.35 1qfg s LYS 441 Cb -0.06 0.30 0.07 0.00 -1.51 0.00 0.00 37.83 36.63 1qfg s LYS 441 CO -0.02 -0.17 0.64 -1.14 -0.36 0.00 0.00 175.35 174.30 1qfg s GLN 442 N -0.98 0.67 -0.06 4.03 0.74 -0.76 -0.97 119.66 122.33 1qfg s GLN 442 Ca -0.10 1.13 0.01 0.00 0.05 0.00 0.00 55.36 56.45 1qfg s GLN 442 Cb -0.04 0.14 0.02 0.00 1.10 0.00 0.00 33.01 34.23 1qfg s GLN 442 CO 0.04 -0.14 -0.08 0.99 -0.55 0.00 0.00 175.29 175.55 1qfg s THR 443 N 1.45 0.82 0.05 -0.34 2.01 -0.46 -1.53 115.64 117.64 1qfg s THR 443 Ca -0.09 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1qfg s THR 443 Cb -0.05 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1qfg s THR 443 CO -0.16 0.29 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.15 1qfg s GLY 444 N 0.88 0.55 -0.05 4.40 0.00 0.51 -0.31 107.32 113.30 1qfg s GLY 444 Ca -0.11 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1qfg s GLY 444 CO 0.01 -0.95 -0.13 -1.34 0.00 0.00 0.00 173.10 170.70 1qfg s VAL 445 N -1.85 1.12 0.07 1.40 -7.23 -0.60 -1.11 120.40 112.21 1qfg s VAL 445 Ca -0.06 -0.50 -0.01 0.00 -1.81 0.00 0.00 61.98 59.61 1qfg s VAL 445 Cb -0.07 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 1qfg s VAL 445 CO -0.01 0.35 -0.02 -0.72 -0.31 0.00 0.00 175.10 174.39 1qfg s TYR 446 N 0.45 0.65 -0.07 2.82 1.13 -0.59 -0.84 117.35 120.89 1qfg s TYR 446 Ca -0.10 -1.07 -0.08 0.00 -1.41 0.00 0.00 57.07 54.40 1qfg s TYR 446 Cb -0.14 -0.43 0.02 0.00 -1.10 0.00 0.00 41.96 40.31 1qfg s TYR 446 CO 0.03 -0.36 0.22 0.08 -2.51 0.00 0.00 175.55 173.01 1qfg s VAL 447 N -3.89 0.01 -0.01 -3.49 1.01 -0.20 -1.80 120.40 112.03 1qfg s VAL 447 Ca 0.11 -0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1qfg s VAL 447 Cb 0.07 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 36.16 1qfg s VAL 447 CO -0.07 -0.06 0.61 -1.58 0.00 0.00 0.00 175.10 174.00 1qfg s GLN 448 N -0.14 1.05 -0.03 2.72 0.74 0.10 -0.73 119.66 123.37 1qfg s GLN 448 Ca -0.02 0.06 0.03 0.00 0.05 0.00 0.00 55.36 55.47 1qfg s GLN 448 Cb -0.02 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.58 1qfg s GLN 448 CO 0.01 -0.35 -0.11 0.34 -0.55 0.00 0.00 175.29 174.63 1qfg s ASP 449 N -1.50 1.41 -0.25 6.67 2.15 -0.02 0.28 116.67 125.41 1qfg s ASP 449 Ca -0.09 -0.22 -0.03 0.00 0.43 0.00 0.00 52.55 52.64 1qfg s ASP 449 Cb -0.01 -0.40 0.02 0.00 -0.30 0.00 0.00 42.92 42.23 1qfg s ASP 449 CO 0.05 0.08 -0.04 -1.10 -0.17 0.00 0.00 175.17 173.99 1qfg s GLN 450 N 0.21 2.99 -0.14 4.34 -0.21 0.13 -1.21 119.66 125.77 1qfg s GLN 450 Ca -0.04 -0.88 0.02 0.00 0.02 0.00 0.00 55.36 54.48 1qfg s GLN 450 Cb -0.10 -3.03 0.01 0.00 1.00 0.00 0.00 33.01 30.89 1qfg s GLN 450 CO 0.01 -0.36 -0.22 0.00 -2.12 0.00 0.00 175.29 172.61 1qfg s ALA 451 N 1.38 2.26 -0.10 6.09 0.00 -0.55 0.13 121.76 130.98 1qfg s ALA 451 Ca 0.02 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1qfg s ALA 451 Cb -0.16 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 21.96 1qfg s ALA 451 CO -0.04 -0.03 -0.21 -1.14 0.00 0.00 0.00 175.76 174.35 1qfg s GLN 452 N 0.82 2.69 -0.41 0.00 0.74 0.60 0.32 119.66 124.41 1qfg s GLN 452 Ca -0.07 -0.75 0.01 0.00 0.05 0.00 0.00 55.36 54.60 1qfg s GLN 452 Cb -0.15 -2.09 0.14 0.00 1.10 0.00 0.00 33.01 32.00 1qfg s GLN 452 CO -0.02 0.10 0.23 -0.46 -0.55 0.00 0.00 175.29 174.60 1qfg s TRP 453 N 0.52 1.52 0.00 1.67 -0.00 -0.01 -0.57 118.94 122.07 1qfg s TRP 453 Ca -0.16 -2.14 0.00 0.00 -0.00 0.00 0.00 56.10 53.80 1qfg s TRP 453 Cb -0.17 -1.52 0.00 0.00 -0.00 0.00 0.00 33.47 31.78 1qfg s TRP 453 CO 0.06 -0.80 0.00 -0.25 -0.00 0.00 0.00 176.95 175.96 1qfg n ASP 454 N 3.69 0.00 -0.90 5.86 8.00 -1.26 -2.50 116.55 129.43 1qfg n ASP 454 Ca 0.11 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.67 1qfg n ASP 454 Cb 0.36 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.66 1qfg n ASP 454 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qfg n LYS 455 N 3.47 2.27 -4.71 -1.24 4.01 -1.26 -4.82 118.16 115.87 1qfg n LYS 455 Ca 0.00 -1.60 -0.33 0.00 -0.51 0.00 0.00 58.31 55.87 1qfg n LYS 455 Cb 0.00 -1.47 -0.13 0.00 -0.51 0.00 0.00 35.03 32.92 1qfg n LYS 455 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1qfg s VAL 456 N -1.56 3.27 -0.08 -0.18 1.01 -1.04 0.38 120.40 122.19 1qfg s VAL 456 Ca 0.29 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1qfg s VAL 456 Cb 0.17 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1qfg s VAL 456 CO 0.17 0.54 -0.19 -0.22 0.00 0.00 0.00 175.10 175.39 1qfg s LEU 457 N 0.08 1.92 -0.12 3.92 2.96 -0.74 -0.83 118.68 125.87 1qfg s LEU 457 Ca -0.04 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1qfg s LEU 457 Cb -0.14 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.39 1qfg s LEU 457 CO 0.04 0.12 -0.15 0.54 -1.32 0.00 0.00 176.35 175.58 1qfg s VAL 458 N 0.42 1.51 -0.12 1.68 0.11 0.15 -1.70 120.40 122.45 1qfg s VAL 458 Ca -0.16 -0.64 -0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1qfg s VAL 458 Cb -0.17 -1.39 -0.03 0.00 -1.53 0.00 0.00 36.38 33.26 1qfg s VAL 458 CO 0.07 0.44 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.36 1qfg s THR 459 N 1.07 3.98 -0.27 5.04 2.01 0.26 -1.48 115.64 126.25 1qfg s THR 459 Ca -0.05 -0.35 -0.24 0.00 0.31 0.00 0.00 61.69 61.36 1qfg s THR 459 Cb -0.15 -2.70 0.08 0.00 0.01 0.00 0.00 72.50 69.74 1qfg s THR 459 CO -0.03 0.54 0.77 -0.22 -0.69 0.00 0.00 174.62 174.99 1qfg s LEU 460 N -0.19 -0.72 0.00 4.42 2.96 -0.35 -0.25 118.68 124.56 1qfg s LEU 460 Ca 0.04 1.36 -0.08 0.00 -0.22 0.00 0.00 54.13 55.24 1qfg s LEU 460 Cb -0.13 2.37 0.03 0.00 0.50 0.00 0.00 46.19 48.96 1qfg s LEU 460 CO 0.02 -0.23 0.36 0.61 -1.32 0.00 0.00 176.35 175.79 1qfg n GLY 461 N 2.73 0.88 3.71 7.98 0.00 -0.26 -0.84 105.19 119.39 1qfg n GLY 461 Ca -0.14 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 1qfg n GLY 461 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qfg s GLY 462 N -2.61 0.03 0.04 -0.02 0.00 0.09 -1.92 107.32 102.92 1qfg s GLY 462 Ca 0.08 -0.38 -0.08 0.00 0.00 0.00 0.00 44.72 44.34 1qfg s GLY 462 CO 0.01 -0.23 0.17 -1.60 0.00 0.00 0.00 173.10 171.45 1qfg s ARG 463 N -3.93 0.65 -0.04 2.90 3.52 0.15 -1.03 118.95 121.17 1qfg s ARG 463 Ca 0.13 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 1qfg s ARG 463 Cb -0.04 0.27 0.01 0.00 -1.56 0.00 0.00 34.95 33.63 1qfg s ARG 463 CO 0.05 -0.18 -0.08 -0.47 -0.81 0.00 0.00 175.30 173.81 1qfg s TYR 464 N -2.46 0.96 0.03 5.12 5.04 -0.02 -1.65 117.35 124.37 1qfg s TYR 464 Ca -0.06 -0.29 0.08 0.00 -2.44 0.00 0.00 57.07 54.37 1qfg s TYR 464 Cb -0.02 -0.75 -0.03 0.00 0.35 0.00 0.00 41.96 41.52 1qfg s TYR 464 CO -0.03 -0.18 -0.24 -0.51 -1.34 0.00 0.00 175.55 173.24 1qfg s ASP 465 N 0.62 2.90 -0.44 4.32 1.01 0.59 -1.55 116.67 124.12 1qfg s ASP 465 Ca -0.10 -0.54 -0.04 0.00 0.71 0.00 0.00 52.55 52.58 1qfg s ASP 465 Cb -0.13 -0.27 0.12 0.00 1.01 0.00 0.00 42.92 43.65 1qfg s ASP 465 CO 0.01 0.24 0.25 0.26 0.21 0.00 0.00 175.17 176.15 1qfg s TRP 466 N -0.75 3.54 -0.51 4.23 0.51 0.57 -0.85 118.94 125.69 1qfg s TRP 466 Ca 0.10 -2.30 -0.05 0.00 -2.12 0.00 0.00 56.10 51.73 1qfg s TRP 466 Cb -0.09 -3.30 0.13 0.00 -0.81 0.00 0.00 33.47 29.40 1qfg s TRP 466 CO 0.01 -0.97 0.33 0.00 -0.51 0.00 0.00 176.95 175.81 1qfg s ALA 467 N 1.13 3.38 -0.07 0.98 0.00 -0.46 -1.35 121.76 125.36 1qfg s ALA 467 Ca 0.08 -2.80 0.01 0.00 0.00 0.00 0.00 51.96 49.26 1qfg s ALA 467 Cb -0.23 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1qfg s ALA 467 CO -0.03 -1.94 -0.08 -0.51 0.00 0.00 0.00 175.76 173.19 1qfg s ASP 468 N 1.66 4.50 0.16 0.00 1.01 -0.14 -0.34 116.67 123.53 1qfg s ASP 468 Ca 0.11 -0.08 0.07 0.00 0.71 0.00 0.00 52.55 53.36 1qfg s ASP 468 Cb -0.22 -1.17 -0.04 0.00 1.01 0.00 0.00 42.92 42.50 1qfg s ASP 468 CO -0.03 0.34 -0.14 0.00 0.21 0.00 0.00 175.17 175.54 1qfg s GLN 469 N -0.65 1.18 -0.16 8.23 -2.07 0.48 -0.87 119.66 125.79 1qfg s GLN 469 Ca 0.10 -1.44 -0.10 0.00 -1.82 0.00 0.00 55.36 52.10 1qfg s GLN 469 Cb -0.11 -0.98 0.05 0.00 -1.09 0.00 0.00 33.01 30.88 1qfg s GLN 469 CO 0.02 0.17 0.39 -2.00 -1.32 0.00 0.00 175.29 172.54 1qfg s GLU 470 N -3.28 0.39 -0.15 9.60 2.12 -0.98 -1.98 118.70 124.42 1qfg s GLU 470 Ca 0.16 0.69 0.01 0.00 0.36 0.00 0.00 54.97 56.19 1qfg s GLU 470 Cb -0.02 0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.43 1qfg s GLU 470 CO 0.04 -0.13 -0.16 0.45 -0.54 0.00 0.00 175.26 174.93 1qfg s SER 471 N 1.04 2.79 -0.19 -1.70 0.15 0.41 -1.65 113.70 114.56 1qfg s SER 471 Ca -0.07 -0.52 -0.08 0.00 0.70 0.00 0.00 55.95 55.98 1qfg s SER 471 Cb -0.07 -1.25 -0.04 0.00 -1.71 0.00 0.00 66.02 62.95 1qfg s SER 471 CO -0.09 -0.04 0.07 -0.22 1.20 0.00 0.00 173.24 174.17 1qfg s LEU 472 N 1.40 3.87 -0.50 3.45 2.96 -0.42 -1.01 118.68 128.42 1qfg s LEU 472 Ca 0.04 0.10 -0.14 0.00 -0.22 0.00 0.00 54.13 53.91 1qfg s LEU 472 Cb -0.13 -1.98 0.11 0.00 0.50 0.00 0.00 46.19 44.69 1qfg s LEU 472 CO -0.11 0.17 0.43 0.21 -1.32 0.00 0.00 176.35 175.74 1qfg s ASN 473 N 0.38 6.04 0.38 3.68 3.84 0.11 -1.21 114.94 128.16 1qfg s ASN 473 Ca 0.04 -1.70 0.09 0.00 0.21 0.00 0.00 52.86 51.50 1qfg s ASN 473 Cb -0.12 -2.15 0.74 0.00 -0.55 0.00 0.00 41.25 39.17 1qfg s ASN 473 CO -0.00 -0.76 1.90 0.03 -2.79 0.00 0.00 177.10 175.48 1qfg h ARG 474 N 8.74 0.26 -0.22 0.43 3.08 -1.23 1.00 114.38 126.43 1qfg h ARG 474 Ca -0.27 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.58 1qfg h ARG 474 Cb 1.10 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1qfg h ARG 474 CO 0.95 0.41 -0.39 0.28 -1.07 0.00 0.00 179.97 180.14 1qfg h VAL 475 N 0.25 1.32 -0.02 2.04 2.07 -1.92 -3.12 116.25 116.86 1qfg h VAL 475 Ca 0.05 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1qfg h VAL 475 Cb 0.40 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1qfg h VAL 475 CO 0.02 0.50 -0.11 0.00 0.02 0.00 0.00 177.57 178.01 1qfg n ALA 476 N -2.52 2.77 -2.30 1.67 0.00 -1.11 -4.91 120.51 114.11 1qfg n ALA 476 Ca -0.05 -0.51 -0.18 0.00 0.00 0.00 0.00 53.44 52.69 1qfg n ALA 476 Cb 0.53 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 1qfg n ALA 476 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qfg n GLY 477 N 1.28 -0.22 3.77 0.00 0.00 0.34 -4.97 105.19 105.38 1qfg n GLY 477 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1qfg n GLY 477 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qfg s THR 478 N -2.84 2.64 -0.08 2.61 -4.23 -0.79 -4.87 115.64 108.08 1qfg s THR 478 Ca 0.00 -1.61 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 1qfg s THR 478 Cb 0.00 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.88 1qfg s THR 478 CO 0.00 -0.06 0.02 -0.89 -0.54 0.00 0.00 174.62 173.14 1qfg s THR 479 N -2.51 0.28 -0.15 3.99 2.01 -1.26 0.09 115.64 118.09 1qfg s THR 479 Ca 0.41 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.50 1qfg s THR 479 Cb 0.00 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1qfg s THR 479 CO 0.24 0.20 0.03 -1.81 -0.69 0.00 0.00 174.62 172.58 1qfg s ASP 480 N 2.01 5.38 0.04 3.53 1.01 -0.18 -4.93 116.67 123.53 1qfg s ASP 480 Ca 0.05 0.07 -0.00 0.00 0.71 0.00 0.00 52.55 53.38 1qfg s ASP 480 Cb -0.13 -1.80 -0.03 0.00 1.01 0.00 0.00 42.92 41.98 1qfg s ASP 480 CO -0.05 0.24 -0.04 -0.54 0.21 0.00 0.00 175.17 174.99 1qfg s LYS 481 N -0.06 0.51 -0.23 8.23 1.02 -1.26 0.15 119.74 128.10 1qfg s LYS 481 Ca 0.05 -0.96 -0.27 0.00 0.02 0.00 0.00 55.97 54.81 1qfg s LYS 481 Cb -0.12 0.09 0.12 0.00 -0.52 0.00 0.00 37.83 37.40 1qfg s LYS 481 CO 0.02 -0.07 1.01 0.50 -0.92 0.00 0.00 175.35 175.89 1qfg s ARG 482 N -2.79 0.55 -0.09 1.68 3.52 -0.84 -4.65 118.95 116.34 1qfg s ARG 482 Ca -0.03 0.43 0.02 0.00 -0.13 0.00 0.00 55.73 56.03 1qfg s ARG 482 Cb -0.01 0.27 0.01 0.00 -1.56 0.00 0.00 34.95 33.66 1qfg s ARG 482 CO -0.05 -0.11 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.67 1qfg s ASP 483 N -0.27 2.24 0.32 -2.12 1.01 -1.26 -0.39 116.67 116.20 1qfg s ASP 483 Ca 0.01 -0.39 0.09 0.00 0.71 0.00 0.00 52.55 52.97 1qfg s ASP 483 Cb -0.03 -1.01 -0.04 0.00 1.01 0.00 0.00 42.92 42.84 1qfg s ASP 483 CO -0.03 0.03 0.08 -1.81 0.21 0.00 0.00 175.17 173.65 1qfg s ASP 484 N 0.84 4.57 -0.05 0.27 1.01 0.54 -4.93 116.67 118.92 1qfg s ASP 484 Ca -0.10 -0.77 -0.01 0.00 0.71 0.00 0.00 52.55 52.37 1qfg s ASP 484 Cb -0.15 -0.73 0.03 0.00 1.01 0.00 0.00 42.92 43.07 1qfg s ASP 484 CO 0.01 -0.21 0.02 -0.54 0.21 0.00 0.00 175.17 174.67 1qfg s LYS 485 N -3.78 0.33 0.02 8.23 1.02 -1.26 -1.35 119.74 122.95 1qfg s LYS 485 Ca 0.35 0.20 -0.05 0.00 0.02 0.00 0.00 55.97 56.49 1qfg s LYS 485 Cb -0.03 -0.74 -0.01 0.00 -0.52 0.00 0.00 37.83 36.53 1qfg s LYS 485 CO 0.21 -0.29 0.09 -0.65 -0.92 0.00 0.00 175.35 173.80 1qfg s GLN 486 N 1.90 0.49 0.09 1.68 -1.52 -0.03 -4.97 119.66 117.30 1qfg s GLN 486 Ca 0.03 -0.57 0.07 0.00 -1.95 0.00 0.00 55.36 52.93 1qfg s GLN 486 Cb -0.12 0.20 -0.03 0.00 -0.22 0.00 0.00 33.01 32.83 1qfg s GLN 486 CO -0.04 -0.11 -0.17 0.12 -0.25 0.00 0.00 175.29 174.83 1qfg s PHE 487 N -1.85 1.50 0.00 0.91 5.36 -1.26 0.22 117.98 122.86 1qfg s PHE 487 Ca -0.11 -0.44 -0.28 0.00 -0.96 0.00 0.00 56.93 55.13 1qfg s PHE 487 Cb -0.06 -0.83 0.07 0.00 -0.34 0.00 0.00 43.02 41.86 1qfg s PHE 487 CO -0.01 0.13 0.65 0.95 -1.46 0.00 0.00 175.22 175.48 1qfg s THR 488 N -1.23 0.00 0.26 0.12 -4.23 -0.66 -4.98 115.64 104.92 1qfg s THR 488 Ca 0.02 -0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1qfg s THR 488 Cb -0.10 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.75 1qfg s THR 488 CO 0.03 -0.01 0.56 -1.66 -0.54 0.00 0.00 174.62 173.00 1qfg s TRP 489 N -1.84 0.23 -0.01 3.99 1.48 -1.26 0.31 118.94 121.83 1qfg s TRP 489 Ca -0.08 -0.62 -0.28 0.00 -1.06 0.00 0.00 56.10 54.06 1qfg s TRP 489 Cb -0.00 0.35 0.06 0.00 -1.16 0.00 0.00 33.47 32.72 1qfg s TRP 489 CO 0.04 -1.09 0.62 0.50 -4.06 0.00 0.00 176.95 172.96 1qfg s ARG 490 N -3.89 1.04 -0.03 3.25 3.52 -0.81 -2.67 118.95 119.36 1qfg s ARG 490 Ca 0.19 0.09 -0.26 0.00 -0.13 0.00 0.00 55.73 55.62 1qfg s ARG 490 Cb -0.02 0.49 0.06 0.00 -1.56 0.00 0.00 34.95 33.91 1qfg s ARG 490 CO 0.09 -0.34 0.58 0.20 -0.81 0.00 0.00 175.30 175.02 1qfg s GLY 491 N -1.45 -0.47 -0.01 8.12 0.00 -0.70 -1.11 107.32 111.69 1qfg s GLY 491 Ca -0.09 1.01 -0.30 0.00 0.00 0.00 0.00 44.72 45.33 1qfg s GLY 491 CO 0.06 0.69 1.24 -0.32 0.00 0.00 0.00 173.10 174.76 1qfg s GLY 492 N -1.35 -0.39 0.01 0.20 0.00 0.66 -0.93 107.32 105.52 1qfg s GLY 492 Ca -0.11 0.71 0.03 0.00 0.00 0.00 0.00 44.72 45.35 1qfg s GLY 492 CO 0.07 0.14 -0.10 0.14 0.00 0.00 0.00 173.10 173.35 1qfg s VAL 493 N -2.53 0.78 -0.10 1.40 1.01 -0.20 0.91 120.40 121.67 1qfg s VAL 493 Ca 0.13 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1qfg s VAL 493 Cb 0.04 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1qfg s VAL 493 CO -0.03 0.07 -0.13 0.20 0.00 0.00 0.00 175.10 175.21 1qfg s ASN 494 N -0.63 2.19 -0.27 3.32 -0.87 -0.69 -0.85 114.94 117.13 1qfg s ASN 494 Ca 0.01 -0.36 -0.11 0.00 -1.57 0.00 0.00 52.86 50.83 1qfg s ASN 494 Cb -0.05 -0.96 -0.05 0.00 -0.02 0.00 0.00 41.25 40.17 1qfg s ASN 494 CO 0.00 -0.01 0.18 -0.47 -2.57 0.00 0.00 177.10 174.23 1qfg s TYR 495 N 1.05 3.22 -0.47 2.20 5.04 0.04 -1.78 117.35 126.65 1qfg s TYR 495 Ca -0.06 0.10 -0.16 0.00 -2.44 0.00 0.00 57.07 54.51 1qfg s TYR 495 Cb -0.15 -2.36 0.06 0.00 0.35 0.00 0.00 41.96 39.87 1qfg s TYR 495 CO -0.02 -0.15 0.44 -1.17 -1.34 0.00 0.00 175.55 173.31 1qfg s LEU 496 N 1.68 5.41 -0.26 6.97 2.96 0.16 -3.13 118.68 132.47 1qfg s LEU 496 Ca 0.07 -1.17 -0.18 0.00 -0.22 0.00 0.00 54.13 52.63 1qfg s LEU 496 Cb -0.16 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1qfg s LEU 496 CO 0.10 -0.68 0.50 -0.36 -1.32 0.00 0.00 176.35 174.59 1qfg s PHE 497 N 1.88 3.26 -0.34 5.38 0.40 -0.70 -4.78 117.98 123.08 1qfg s PHE 497 Ca 0.07 0.61 0.09 0.00 -0.60 0.00 0.00 56.93 57.10 1qfg s PHE 497 Cb -0.22 -2.70 0.48 0.00 0.51 0.00 0.00 43.02 41.09 1qfg s PHE 497 CO 0.08 -0.27 1.17 -0.40 0.70 0.00 0.00 175.22 176.50 1qfg n ASP 498 N 5.51 0.23 0.09 1.36 5.68 -1.26 0.43 116.55 128.59 1qfg n ASP 498 Ca -0.05 0.51 0.12 0.00 -0.50 0.00 0.00 54.79 54.87 1qfg n ASP 498 Cb 0.50 -0.50 0.45 0.00 -1.14 0.00 0.00 41.12 40.43 1qfg n ASP 498 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1qfg n ASN 499 N -1.79 0.60 0.00 -1.12 6.94 -1.26 -4.88 115.26 113.75 1qfg n ASN 499 Ca -0.01 0.60 0.00 0.00 -0.02 0.00 0.00 54.58 55.15 1qfg n ASN 499 Cb 0.19 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 36.87 1qfg n ASN 499 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qfg n GLY 500 N 0.67 0.84 2.87 4.83 0.00 0.17 -4.78 105.19 109.79 1qfg n GLY 500 Ca 0.04 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 1qfg n GLY 500 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qfg s VAL 501 N -1.79 -0.34 -0.27 1.61 1.01 -0.79 -3.57 120.40 116.25 1qfg s VAL 501 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1qfg s VAL 501 Cb 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 36.38 35.98 1qfg s VAL 501 CO 0.00 0.03 -0.04 -0.89 0.00 0.00 0.00 175.10 174.20 1qfg s THR 502 N 2.35 1.88 0.20 3.92 2.01 0.23 -1.72 115.64 124.52 1qfg s THR 502 Ca 0.04 -1.64 -0.15 0.00 0.31 0.00 0.00 61.69 60.24 1qfg s THR 502 Cb -0.13 -2.16 -0.08 0.00 0.01 0.00 0.00 72.50 70.14 1qfg s THR 502 CO -0.09 -0.23 0.62 -2.84 -0.69 0.00 0.00 174.62 171.39 1qfg s PRO 503 N 1.19 4.03 0.25 4.92 0.02 -1.18 0.22 135.00 144.45 1qfg s PRO 503 Ca -0.02 0.58 -0.14 0.00 0.02 0.00 0.00 61.00 61.45 1qfg s PRO 503 Cb -0.19 -2.81 -0.00 0.00 0.02 0.00 0.00 34.50 31.52 1qfg s PRO 503 CO -0.08 0.39 0.51 1.52 -0.33 0.00 0.00 177.00 179.01 1qfg s TYR 504 N -1.60 0.30 0.22 6.54 1.13 0.13 -0.78 117.35 123.30 1qfg s TYR 504 Ca 0.43 -0.67 -0.23 0.00 -1.41 0.00 0.00 57.07 55.19 1qfg s TYR 504 Cb -0.14 0.25 0.04 0.00 -1.10 0.00 0.00 41.96 41.01 1qfg s TYR 504 CO 0.20 -1.03 0.79 -0.59 -2.51 0.00 0.00 175.55 172.41 1qfg s PHE 505 N -4.00 -0.20 -0.07 -3.49 -0.12 -0.03 -1.29 117.98 108.78 1qfg s PHE 505 Ca 0.21 -0.18 -0.32 0.00 -0.05 0.00 0.00 56.93 56.59 1qfg s PHE 505 Cb -0.01 0.67 0.14 0.00 -0.63 0.00 0.00 43.02 43.18 1qfg s PHE 505 CO 0.09 -1.06 1.36 -1.54 -0.05 0.00 0.00 175.22 174.02 1qfg s SER 506 N -2.90 -0.03 -0.01 1.98 1.04 -0.20 -1.03 113.70 112.55 1qfg s SER 506 Ca 0.10 -0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.51 1qfg s SER 506 Cb -0.04 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1qfg s SER 506 CO 0.04 -0.16 -0.15 -0.47 0.98 0.00 0.00 173.24 173.48 1qfg s TYR 507 N -2.22 1.33 0.03 5.02 5.04 -0.11 -0.91 117.35 125.52 1qfg s TYR 507 Ca 0.14 -0.26 -0.14 0.00 -2.44 0.00 0.00 57.07 54.37 1qfg s TYR 507 Cb 0.06 -0.85 0.02 0.00 0.35 0.00 0.00 41.96 41.54 1qfg s TYR 507 CO -0.05 -0.02 0.32 0.45 -1.34 0.00 0.00 175.55 174.91 1qfg s SER 508 N -0.42 -0.16 0.22 4.32 0.15 0.13 -1.72 113.70 116.22 1qfg s SER 508 Ca 0.05 -0.10 0.03 0.00 0.70 0.00 0.00 55.95 56.63 1qfg s SER 508 Cb -0.06 0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 64.55 1qfg s SER 508 CO -0.00 -0.58 0.00 -1.61 1.20 0.00 0.00 173.24 172.25 1qfg s GLU 509 N -2.23 1.28 0.08 5.44 2.02 -1.09 -1.65 118.70 122.56 1qfg s GLU 509 Ca -0.07 -1.64 -0.16 0.00 0.02 0.00 0.00 54.97 53.12 1qfg s GLU 509 Cb -0.02 -0.50 0.03 0.00 0.10 0.00 0.00 34.13 33.74 1qfg s GLU 509 CO -0.01 -0.11 0.37 -1.54 0.02 0.00 0.00 175.26 173.99 1qfg s SER 510 N -3.27 -0.20 0.06 -0.19 1.04 -0.92 -2.92 113.70 107.30 1qfg s SER 510 Ca 0.28 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 1qfg s SER 510 Cb 0.06 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1qfg s SER 510 CO 0.08 -0.75 0.02 0.72 0.98 0.00 0.00 173.24 174.28 1qfg s PHE 511 N -3.20 0.49 -0.24 5.02 -0.71 -1.26 0.11 117.98 118.19 1qfg s PHE 511 Ca -0.01 -1.01 -0.06 0.00 -1.04 0.00 0.00 56.93 54.82 1qfg s PHE 511 Cb 0.01 -0.34 0.12 0.00 -1.21 0.00 0.00 43.02 41.59 1qfg s PHE 511 CO -0.08 -0.42 0.48 -2.00 -1.34 0.00 0.00 175.22 171.86 1qfg s GLU 512 N -3.92 0.41 0.81 1.99 2.12 -0.02 -1.90 118.70 118.19 1qfg s GLU 512 Ca 0.08 1.02 -0.12 0.00 0.36 0.00 0.00 54.97 56.31 1qfg s GLU 512 Cb 0.07 0.30 0.09 0.00 0.26 0.00 0.00 34.13 34.85 1qfg s GLU 512 CO -0.09 -0.36 1.16 -2.14 -0.54 0.00 0.00 175.26 173.29 1qfg s PRO 513 N 2.68 1.71 0.40 4.30 0.02 -1.26 -0.39 135.00 142.46 1qfg s PRO 513 Ca 0.03 1.56 0.03 0.00 0.02 0.00 0.00 61.00 62.64 1qfg s PRO 513 Cb -0.13 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.58 1qfg s PRO 513 CO -0.16 -2.12 0.58 0.45 -0.33 0.00 0.00 177.00 175.42 1qfg s SER 514 N -2.55 5.87 0.00 2.53 0.15 -1.26 -4.79 113.70 113.64 1qfg s SER 514 Ca 0.69 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1qfg s SER 514 Cb -0.24 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 1qfg s SER 514 CO 0.52 -0.59 0.00 -1.54 1.20 0.00 0.00 173.24 172.83 1qfg n SER 515 N -1.88 0.03 -4.79 5.45 3.41 -1.26 -4.83 113.62 109.75 1qfg n SER 515 Ca 0.01 -0.32 -0.33 0.00 -0.26 0.00 0.00 58.87 57.97 1qfg n SER 515 Cb 0.58 0.65 0.03 0.00 -0.26 0.00 0.00 64.21 65.21 1qfg n SER 515 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1qfg s GLN 516 N -0.66 3.11 -0.08 4.33 -1.52 -1.26 -4.94 119.66 118.64 1qfg s GLN 516 Ca 0.00 1.24 0.02 0.00 -1.95 0.00 0.00 55.36 54.68 1qfg s GLN 516 Cb 0.00 -2.00 0.01 0.00 -0.22 0.00 0.00 33.01 30.80 1qfg s GLN 516 CO 0.00 -0.99 -0.15 0.54 -0.25 0.00 0.00 175.29 174.45 1qfg s VAL 517 N -2.47 1.36 0.00 1.09 0.11 -1.26 -1.82 120.40 117.41 1qfg s VAL 517 Ca 0.64 -0.60 -0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1qfg s VAL 517 Cb -0.17 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1qfg s VAL 517 CO 0.40 0.41 0.00 0.61 -3.33 0.00 0.00 175.10 173.19 1qfg n GLY 518 N 3.85 -1.60 0.24 6.54 0.00 0.76 -4.78 105.19 110.21 1qfg n GLY 518 Ca -0.21 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.24 1qfg n GLY 518 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qfg h LYS 519 N 0.00 0.25 -0.61 1.61 3.64 -1.89 -2.43 116.57 117.14 1qfg h LYS 519 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1qfg h LYS 519 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1qfg h LYS 519 CO 0.00 0.37 0.00 -0.40 -2.27 0.00 0.00 179.45 177.15 1qfg n ASP 520 N -4.29 0.88 -0.18 4.20 5.75 -1.26 -4.85 116.55 116.80 1qfg n ASP 520 Ca -0.01 -2.03 -0.02 0.00 -0.01 0.00 0.00 54.79 52.72 1qfg n ASP 520 Cb 0.25 -0.32 -0.01 0.00 -1.03 0.00 0.00 41.12 40.01 1qfg n ASP 520 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qfg n GLY 521 N 0.25 0.50 3.70 6.12 0.00 -0.92 -5.02 105.19 109.82 1qfg n GLY 521 Ca 0.02 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1qfg n GLY 521 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qfg s ASN 522 N -2.25 4.51 -0.07 1.61 0.02 -1.26 -4.89 114.94 112.61 1qfg s ASN 522 Ca 0.00 -0.86 -0.24 0.00 -1.02 0.00 0.00 52.86 50.74 1qfg s ASN 522 Cb 0.00 -0.65 -0.04 0.00 0.02 0.00 0.00 41.25 40.58 1qfg s ASN 522 CO 0.00 -0.29 0.71 -0.63 0.02 0.00 0.00 177.10 176.91 1qfg s ILE 523 N -2.46 5.04 1.15 0.60 1.01 -1.26 -0.17 121.20 125.11 1qfg s ILE 523 Ca 0.37 1.47 -0.16 0.00 0.00 0.00 0.00 60.65 62.33 1qfg s ILE 523 Cb -0.01 -4.05 0.20 0.00 0.01 0.00 0.00 42.46 38.60 1qfg s ILE 523 CO 0.22 0.24 0.50 0.49 0.00 0.00 0.00 174.94 176.39 1qfg n PHE 524 N 3.84 -1.38 -2.23 3.97 3.72 -0.76 -4.91 117.46 119.71 1qfg n PHE 524 Ca -0.01 -0.02 -0.26 0.00 -0.05 0.00 0.00 57.45 57.11 1qfg n PHE 524 Cb 0.51 -1.63 0.06 0.00 -0.94 0.00 0.00 39.48 37.48 1qfg n PHE 524 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qfg s ALA 525 N -2.32 3.18 0.99 4.37 0.00 -1.26 -4.35 121.76 122.36 1qfg s ALA 525 Ca 0.62 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1qfg s ALA 525 Cb -0.19 -2.63 0.15 0.00 0.00 0.00 0.00 23.12 20.46 1qfg s ALA 525 CO 0.66 -1.17 0.91 -2.30 0.00 0.00 0.00 175.76 173.86 1qfg n PRO 526 N -2.84 -0.90 -4.29 0.00 -0.02 -1.26 -4.24 135.00 121.44 1qfg n PRO 526 Ca 0.07 -0.21 -0.23 0.00 -2.02 0.00 0.00 63.50 61.11 1qfg n PRO 526 Cb 0.60 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 1qfg n PRO 526 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1qfg s SER 527 N -2.42 4.58 0.16 2.55 1.04 0.48 -4.82 113.70 115.27 1qfg s SER 527 Ca 0.65 -0.63 0.07 0.00 0.48 0.00 0.00 55.95 56.52 1qfg s SER 527 Cb -0.22 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 64.99 1qfg s SER 527 CO 0.62 0.00 -0.15 -0.54 0.98 0.00 0.00 173.24 174.15 1qfg s LYS 528 N -3.68 1.17 -0.14 4.02 1.02 -0.29 -0.84 119.74 121.00 1qfg s LYS 528 Ca 0.31 -1.39 -0.00 0.00 0.02 0.00 0.00 55.97 54.91 1qfg s LYS 528 Cb -0.06 -1.05 -0.01 0.00 -0.52 0.00 0.00 37.83 36.19 1qfg s LYS 528 CO 0.20 0.19 -0.13 0.20 -0.92 0.00 0.00 175.35 174.90 1qfg s GLY 529 N -2.78 1.53 -0.14 -3.33 0.00 0.29 -0.83 107.32 102.06 1qfg s GLY 529 Ca 0.15 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 1qfg s GLY 529 CO 0.05 -0.10 -0.02 0.54 0.00 0.00 0.00 173.10 173.57 1qfg s LYS 530 N 0.53 1.06 -0.06 2.90 -0.14 0.45 -2.16 119.74 122.33 1qfg s LYS 530 Ca -0.08 -0.32 0.01 0.00 -1.36 0.00 0.00 55.97 54.22 1qfg s LYS 530 Cb -0.16 -1.74 0.02 0.00 -1.68 0.00 0.00 37.83 34.27 1qfg s LYS 530 CO 0.04 -0.44 -0.07 -1.14 -0.76 0.00 0.00 175.35 172.98 1qfg s GLN 531 N 1.77 1.17 -0.22 1.68 0.74 -0.66 0.15 119.66 124.30 1qfg s GLN 531 Ca 0.02 -0.21 -0.06 0.00 0.05 0.00 0.00 55.36 55.15 1qfg s GLN 531 Cb -0.15 -1.09 -0.03 0.00 1.10 0.00 0.00 33.01 32.84 1qfg s GLN 531 CO -0.07 -0.07 0.02 0.71 -0.55 0.00 0.00 175.29 175.34 1qfg s TYR 532 N 0.93 3.06 0.03 1.67 2.02 0.42 -0.69 117.35 124.79 1qfg s TYR 532 Ca -0.10 -0.45 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 1qfg s TYR 532 Cb -0.15 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.26 1qfg s TYR 532 CO 0.01 -0.28 -0.09 -2.00 -1.57 0.00 0.00 175.55 171.61 1qfg s GLU 533 N 1.22 0.62 0.03 -0.62 2.12 -0.09 -0.08 118.70 121.89 1qfg s GLU 533 Ca 0.04 -0.63 -0.08 0.00 0.36 0.00 0.00 54.97 54.66 1qfg s GLU 533 Cb -0.15 -0.50 -0.00 0.00 0.26 0.00 0.00 34.13 33.74 1qfg s GLU 533 CO 0.02 0.12 0.16 0.14 -0.54 0.00 0.00 175.26 175.15 1qfg s VAL 534 N -0.94 0.11 0.00 3.70 -7.23 0.07 -1.03 120.40 115.07 1qfg s VAL 534 Ca -0.04 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1qfg s VAL 534 Cb -0.08 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1qfg s VAL 534 CO 0.01 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 1qfg n GLY 535 N 0.88 -0.82 3.27 2.32 0.00 -0.42 -0.92 105.19 109.51 1qfg n GLY 535 Ca -0.20 -1.17 -0.19 0.00 0.00 0.00 0.00 46.02 44.46 1qfg n GLY 535 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qfg s VAL 536 N -2.00 1.49 -0.18 1.61 -7.23 -0.52 0.23 120.40 113.79 1qfg s VAL 536 Ca 0.00 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1qfg s VAL 536 Cb 0.00 -1.61 0.03 0.00 0.56 0.00 0.00 36.38 35.36 1qfg s VAL 536 CO 0.00 -0.36 -0.14 -0.54 -0.31 0.00 0.00 175.10 173.75 1qfg s LYS 537 N -2.64 2.36 -0.59 4.82 1.02 0.60 -1.22 119.74 124.10 1qfg s LYS 537 Ca 0.10 -0.80 -0.16 0.00 0.02 0.00 0.00 55.97 55.13 1qfg s LYS 537 Cb -0.06 -2.40 0.14 0.00 -0.52 0.00 0.00 37.83 34.99 1qfg s LYS 537 CO 0.04 -0.33 0.58 -0.47 -0.92 0.00 0.00 175.35 174.25 1qfg s TYR 538 N 1.37 3.27 -0.68 3.18 5.04 0.18 0.78 117.35 130.50 1qfg s TYR 538 Ca 0.01 -1.32 0.05 0.00 -2.44 0.00 0.00 57.07 53.37 1qfg s TYR 538 Cb -0.15 -3.85 0.18 0.00 0.35 0.00 0.00 41.96 38.50 1qfg s TYR 538 CO -0.10 -1.07 0.52 0.28 -1.34 0.00 0.00 175.55 173.84 1qfg n VAL 539 N 5.15 1.52 -2.01 3.14 0.31 -1.23 -1.23 118.33 123.97 1qfg n VAL 539 Ca -0.09 -4.81 -0.42 0.00 -0.01 0.00 0.00 64.34 59.00 1qfg n VAL 539 Cb 0.41 -2.14 -0.03 0.00 -0.91 0.00 0.00 33.84 31.17 1qfg n VAL 539 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1qfg s PRO 540 N -1.50 4.25 0.28 5.55 0.04 -1.26 -4.77 135.00 137.59 1qfg s PRO 540 Ca 0.27 2.25 0.26 0.00 0.04 0.00 0.00 61.00 63.82 1qfg s PRO 540 Cb -0.01 -3.28 0.81 0.00 0.04 0.00 0.00 34.50 32.06 1qfg s PRO 540 CO -0.15 -0.58 1.75 1.49 0.04 0.00 0.00 177.00 179.55 1qfg h GLU 541 N 7.12 0.00 0.00 4.56 4.57 -1.91 -3.36 114.58 125.57 1qfg h GLU 541 Ca -0.42 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 57.60 1qfg h GLU 541 Cb 1.20 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 1qfg h GLU 541 CO 0.90 0.00 -0.89 0.38 -1.18 0.00 0.00 179.01 178.23 1qfg h ASP 542 N 0.00 0.00 -2.54 1.04 2.03 -1.95 -3.48 116.42 111.52 1qfg h ASP 542 Ca 0.00 -0.62 -0.55 0.00 -0.73 0.00 0.00 57.03 55.13 1qfg h ASP 542 Cb 0.69 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.13 1qfg h ASP 542 CO 0.00 1.33 -0.54 -0.13 -1.03 0.00 0.00 179.24 178.87 1qfg s ARG 543 N -2.31 3.00 -1.28 4.15 0.52 -1.26 -5.03 118.95 116.73 1qfg s ARG 543 Ca -0.26 -0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 53.92 1qfg s ARG 543 Cb 0.03 -2.68 0.11 0.00 0.52 0.00 0.00 34.95 32.93 1qfg s ARG 543 CO 0.60 0.47 1.69 -0.35 0.02 0.00 0.00 175.30 177.73 1qfg n PRO 544 N -0.61 3.25 -3.99 3.54 -0.04 -1.26 -4.68 135.00 131.20 1qfg n PRO 544 Ca -0.08 -3.43 -0.08 0.00 -0.04 0.00 0.00 63.50 59.87 1qfg n PRO 544 Cb 0.55 -3.30 -0.10 0.00 -0.04 0.00 0.00 33.50 30.61 1qfg n PRO 544 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1qfg s ILE 545 N 3.07 0.16 -0.11 0.52 -4.36 -1.26 -1.41 121.20 117.81 1qfg s ILE 545 Ca 0.49 -1.31 -0.08 0.00 -0.26 0.00 0.00 60.65 59.49 1qfg s ILE 545 Cb 0.03 -1.01 0.04 0.00 1.25 0.00 0.00 42.46 42.77 1qfg s ILE 545 CO 0.04 -0.72 0.27 -0.69 0.24 0.00 0.00 174.94 174.07 1qfg s VAL 546 N -2.90 -0.02 -0.10 8.37 1.01 0.24 -4.11 120.40 122.90 1qfg s VAL 546 Ca -0.03 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1qfg s VAL 546 Cb 0.01 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 36.03 1qfg s VAL 546 CO -0.06 0.02 0.24 -0.69 0.00 0.00 0.00 175.10 174.61 1qfg s VAL 547 N 0.65 -0.04 0.10 2.92 1.01 -0.37 -1.33 120.40 123.34 1qfg s VAL 547 Ca -0.04 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.12 1qfg s VAL 547 Cb -0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1qfg s VAL 547 CO -0.04 0.06 -0.12 0.28 0.00 0.00 0.00 175.10 175.27 1qfg s THR 548 N 1.15 1.11 -0.09 3.92 -1.32 -0.05 0.52 115.64 120.88 1qfg s THR 548 Ca -0.08 -1.59 -0.11 0.00 -1.21 0.00 0.00 61.69 58.69 1qfg s THR 548 Cb -0.10 -1.35 0.03 0.00 -1.51 0.00 0.00 72.50 69.57 1qfg s THR 548 CO -0.08 -0.44 0.30 -0.83 -2.21 0.00 0.00 174.62 171.36 1qfg s GLY 549 N -2.29 -0.21 0.04 6.08 0.00 -0.35 -1.50 107.32 109.09 1qfg s GLY 549 Ca 0.05 0.74 -0.22 0.00 0.00 0.00 0.00 44.72 45.29 1qfg s GLY 549 CO 0.02 0.61 0.50 0.00 0.00 0.00 0.00 173.10 174.22 1qfg s ALA 550 N -0.12 -1.27 0.01 3.20 0.00 0.05 -1.43 121.76 122.20 1qfg s ALA 550 Ca -0.03 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 1qfg s ALA 550 Cb -0.03 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1qfg s ALA 550 CO 0.01 -0.48 -0.01 0.54 0.00 0.00 0.00 175.76 175.82 1qfg s VAL 551 N -2.36 0.04 0.07 0.00 0.11 -0.09 -0.32 120.40 117.85 1qfg s VAL 551 Ca -0.06 -0.33 -0.18 0.00 -2.93 0.00 0.00 61.98 58.47 1qfg s VAL 551 Cb -0.01 -0.10 0.04 0.00 -1.53 0.00 0.00 36.38 34.78 1qfg s VAL 551 CO -0.01 -0.18 0.43 -0.72 -3.33 0.00 0.00 175.10 171.29 1qfg s TYR 552 N -0.54 -0.28 -0.22 1.54 -0.85 -0.57 -0.75 117.35 115.69 1qfg s TYR 552 Ca -0.06 0.17 0.02 0.00 -0.52 0.00 0.00 57.07 56.67 1qfg s TYR 552 Cb -0.04 0.26 0.04 0.00 0.38 0.00 0.00 41.96 42.60 1qfg s TYR 552 CO -0.00 -0.63 -0.15 1.21 -1.52 0.00 0.00 175.55 174.46 1qfg s ASN 553 N -2.26 3.79 -0.13 -0.18 3.84 0.89 -1.31 114.94 119.59 1qfg s ASN 553 Ca -0.03 -0.99 0.02 0.00 0.21 0.00 0.00 52.86 52.08 1qfg s ASN 553 Cb 0.00 -1.52 0.00 0.00 -0.55 0.00 0.00 41.25 39.18 1qfg s ASN 553 CO -0.05 -0.09 -0.21 -0.22 -2.79 0.00 0.00 177.10 173.74 1qfg s LEU 554 N 1.21 2.23 -0.06 3.21 2.96 0.12 -0.43 118.68 127.92 1qfg s LEU 554 Ca -0.01 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1qfg s LEU 554 Cb -0.16 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.07 1qfg s LEU 554 CO -0.09 0.12 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.07 1qfg s THR 555 N 0.57 1.01 -0.20 3.68 2.01 0.40 -1.34 115.64 121.77 1qfg s THR 555 Ca -0.12 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 1qfg s THR 555 Cb -0.17 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 1qfg s THR 555 CO 0.04 0.32 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.53 1qfg s LYS 556 N 0.62 3.57 0.16 4.92 2.20 -0.32 -0.41 119.74 130.49 1qfg s LYS 556 Ca -0.12 -0.54 0.11 0.00 -0.36 0.00 0.00 55.97 55.05 1qfg s LYS 556 Cb -0.15 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1qfg s LYS 556 CO 0.03 -0.00 -0.24 0.95 -0.36 0.00 0.00 175.35 175.73 1qfg s THR 557 N 1.02 2.41 -0.36 3.43 -4.23 -0.01 -1.47 115.64 116.43 1qfg s THR 557 Ca 0.01 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1qfg s THR 557 Cb -0.14 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.57 1qfg s THR 557 CO 0.01 -0.03 0.31 -3.20 -0.54 0.00 0.00 174.62 171.17 1qfg n ASN 558 N 0.51 -2.99 -4.73 3.99 5.15 0.32 -1.14 115.26 116.38 1qfg n ASN 558 Ca -0.15 -0.15 -0.41 0.00 -0.60 0.00 0.00 54.58 53.27 1qfg n ASN 558 Cb 0.55 -1.71 -0.04 0.00 -0.53 0.00 0.00 39.78 38.05 1qfg n ASN 558 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1qfg s ASN 559 N -3.13 7.31 0.23 1.20 2.47 0.93 -4.53 114.94 119.42 1qfg s ASN 559 Ca 0.13 1.93 -0.30 0.00 0.42 0.00 0.00 52.86 55.04 1qfg s ASN 559 Cb -0.06 -2.59 -0.10 0.00 -1.45 0.00 0.00 41.25 37.06 1qfg s ASN 559 CO 0.19 -0.24 1.41 -0.76 -3.72 0.00 0.00 177.10 173.99 1qfg s LEU 560 N 0.24 4.39 0.00 3.21 1.43 -1.26 -0.82 118.68 125.87 1qfg s LEU 560 Ca 0.51 2.60 0.01 0.00 -1.03 0.00 0.00 54.13 56.22 1qfg s LEU 560 Cb -0.26 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.33 1qfg s LEU 560 CO 0.31 -0.66 0.02 1.15 0.23 0.00 0.00 176.35 177.40 1qfg n MET 561 N 2.45 0.72 -2.83 1.70 0.00 0.18 -4.89 117.12 114.45 1qfg n MET 561 Ca 0.07 -0.45 -0.37 0.00 0.00 0.00 0.00 57.70 56.95 1qfg n MET 561 Cb 0.41 0.27 -0.06 0.00 0.00 0.00 0.00 33.22 33.83 1qfg n MET 561 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qfg s ALA 562 N -2.15 3.26 -0.21 3.17 0.00 -1.26 -1.01 121.76 123.56 1qfg s ALA 562 Ca 0.03 0.48 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 1qfg s ALA 562 Cb 0.00 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1qfg s ALA 562 CO 0.02 0.20 2.18 0.34 0.00 0.00 0.00 175.76 178.51 1qfg s ASP 563 N -1.54 5.54 0.60 0.00 -1.08 -1.20 -4.61 116.67 114.38 1qfg s ASP 563 Ca 0.47 1.91 0.29 0.00 -0.52 0.00 0.00 52.55 54.70 1qfg s ASP 563 Cb -0.20 -2.51 1.23 0.00 -1.46 0.00 0.00 42.92 39.98 1qfg s ASP 563 CO 0.25 -1.89 1.61 -0.65 0.52 0.00 0.00 175.17 175.01 1qfg h PRO 564 N 14.64 0.00 -0.90 4.34 0.11 -1.92 -1.90 132.00 146.37 1qfg h PRO 564 Ca -0.41 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.15 1qfg h PRO 564 Cb 1.23 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.06 1qfg h PRO 564 CO 0.96 0.00 0.54 0.39 -0.21 0.00 0.00 178.00 179.68 1qfg n GLU 565 N -3.48 2.49 -0.89 1.05 1.02 -1.26 -4.98 120.64 114.58 1qfg n GLU 565 Ca 0.16 -3.25 0.00 0.00 -0.02 0.00 0.00 57.16 54.06 1qfg n GLU 565 Cb 1.11 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1qfg n GLU 565 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qfg n GLY 566 N -1.02 0.20 2.20 0.62 0.00 -0.72 -5.03 105.19 101.45 1qfg n GLY 566 Ca 0.57 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.42 1qfg n GLY 566 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qfg n SER 567 N -0.49 0.06 -0.81 1.61 3.41 -1.26 -4.96 113.62 111.17 1qfg n SER 567 Ca 0.00 -1.27 0.08 0.00 -0.26 0.00 0.00 58.87 57.42 1qfg n SER 567 Cb 0.24 -0.58 0.23 0.00 -0.26 0.00 0.00 64.21 63.85 1qfg n SER 567 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qfg n PHE 568 N -3.05 0.53 -3.92 7.33 3.01 -1.26 -4.75 117.46 115.36 1qfg n PHE 568 Ca 0.09 -0.27 -0.22 0.00 1.01 0.00 0.00 57.45 58.07 1qfg n PHE 568 Cb 0.33 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.76 1qfg n PHE 568 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1qfg s PHE 569 N -1.47 2.93 0.62 1.38 0.08 -1.26 -5.08 117.98 115.18 1qfg s PHE 569 Ca 0.31 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 57.16 1qfg s PHE 569 Cb 0.17 -1.67 0.10 0.00 -0.57 0.00 0.00 43.02 41.04 1qfg s PHE 569 CO 0.22 0.29 0.86 -1.12 -0.10 0.00 0.00 175.22 175.37 1qfg s SER 570 N -3.94 4.84 0.09 1.36 0.01 -1.26 -3.22 113.70 111.58 1qfg s SER 570 Ca 0.38 -0.68 -0.10 0.00 1.31 0.00 0.00 55.95 56.87 1qfg s SER 570 Cb -0.06 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1qfg s SER 570 CO 0.26 -1.52 0.23 -0.69 0.41 0.00 0.00 173.24 171.93 1qfg s VAL 571 N -2.83 0.13 0.00 3.43 1.01 -0.18 -4.48 120.40 117.48 1qfg s VAL 571 Ca 0.63 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1qfg s VAL 571 Cb -0.06 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1qfg s VAL 571 CO 0.41 -0.59 0.00 -1.84 0.00 0.00 0.00 175.10 173.08 1qfg n GLU 572 N -0.04 3.37 -0.85 2.72 0.28 -1.26 0.51 120.64 125.37 1qfg n GLU 572 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 1qfg n GLU 572 Cb 0.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.49 1qfg n GLU 572 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qfg n GLY 573 N 5.00 0.69 3.75 -1.84 0.00 -1.25 -4.66 105.19 106.88 1qfg n GLY 573 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1qfg n GLY 573 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qfg s GLY 574 N -2.00 1.64 -0.10 -0.02 0.00 -0.00 -4.52 107.32 102.32 1qfg s GLY 574 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.73 1qfg s GLY 574 CO 0.00 0.49 0.24 1.85 0.00 0.00 0.00 173.10 175.67 1qfg s GLU 575 N -4.94 0.21 -0.02 2.90 2.12 -0.33 -0.05 118.70 118.59 1qfg s GLU 575 Ca 0.62 0.48 0.08 0.00 0.36 0.00 0.00 54.97 56.51 1qfg s GLU 575 Cb -0.17 -0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.12 1qfg s GLU 575 CO 0.56 -0.14 -0.26 0.42 -0.54 0.00 0.00 175.26 175.31 1qfg s ILE 576 N 1.03 2.06 0.00 -3.70 1.01 -0.54 -0.52 121.20 120.55 1qfg s ILE 576 Ca -0.07 -1.11 0.08 0.00 0.00 0.00 0.00 60.65 59.55 1qfg s ILE 576 Cb -0.09 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 1qfg s ILE 576 CO -0.07 0.58 -0.23 -0.60 0.00 0.00 0.00 174.94 174.62 1qfg s ARG 577 N -0.60 2.08 -0.16 2.79 3.52 0.45 -1.17 118.95 125.86 1qfg s ARG 577 Ca 0.10 -0.95 -0.01 0.00 -0.13 0.00 0.00 55.73 54.73 1qfg s ARG 577 Cb -0.10 -2.09 0.05 0.00 -1.56 0.00 0.00 34.95 31.24 1qfg s ARG 577 CO -0.01 0.55 -0.02 0.00 -0.81 0.00 0.00 175.30 175.01 1qfg s ALA 578 N -0.72 1.28 -0.04 6.12 0.00 -0.45 0.33 121.76 128.28 1qfg s ALA 578 Ca 0.11 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1qfg s ALA 578 Cb -0.10 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1qfg s ALA 578 CO 0.01 -0.87 -0.09 1.03 0.00 0.00 0.00 175.76 175.84 1qfg s ARG 579 N 1.72 2.61 0.27 0.00 0.52 -0.66 0.12 118.95 123.53 1qfg s ARG 579 Ca 0.00 -0.65 -0.20 0.00 -0.52 0.00 0.00 55.73 54.37 1qfg s ARG 579 Cb -0.16 -2.50 0.06 0.00 0.52 0.00 0.00 34.95 32.87 1qfg s ARG 579 CO -0.07 0.63 0.88 0.20 0.02 0.00 0.00 175.30 176.96 1qfg s GLY 580 N -0.99 0.12 -0.03 -3.53 0.00 -0.42 -0.87 107.32 101.59 1qfg s GLY 580 Ca 0.14 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.47 1qfg s GLY 580 CO 0.03 0.55 -0.09 0.14 0.00 0.00 0.00 173.10 173.74 1qfg s VAL 581 N -2.70 0.77 -0.04 1.40 1.01 0.82 -1.51 120.40 120.17 1qfg s VAL 581 Ca 0.16 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1qfg s VAL 581 Cb -0.04 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.66 1qfg s VAL 581 CO 0.07 0.25 -0.05 -1.61 0.00 0.00 0.00 175.10 173.77 1qfg s GLU 582 N 0.31 0.77 -0.02 2.72 2.02 0.57 0.20 118.70 125.27 1qfg s GLU 582 Ca -0.05 -0.11 0.02 0.00 0.02 0.00 0.00 54.97 54.85 1qfg s GLU 582 Cb -0.10 -0.78 0.01 0.00 0.10 0.00 0.00 34.13 33.36 1qfg s GLU 582 CO 0.01 -0.05 -0.07 -1.50 0.02 0.00 0.00 175.26 173.66 1qfg s ILE 583 N 0.78 0.63 0.13 -1.63 -1.16 0.21 -0.77 121.20 119.39 1qfg s ILE 583 Ca -0.10 -0.27 0.10 0.00 -0.51 0.00 0.00 60.65 59.87 1qfg s ILE 583 Cb -0.13 -0.57 -0.04 0.00 0.61 0.00 0.00 42.46 42.32 1qfg s ILE 583 CO 0.00 0.21 -0.24 -0.70 -2.81 0.00 0.00 174.94 171.40 1qfg s GLU 584 N 0.27 1.31 -0.24 3.50 2.12 -0.56 -0.22 118.70 124.88 1qfg s GLU 584 Ca -0.04 -1.31 -0.16 0.00 0.36 0.00 0.00 54.97 53.82 1qfg s GLU 584 Cb -0.08 -1.69 0.07 0.00 0.26 0.00 0.00 34.13 32.69 1qfg s GLU 584 CO 0.00 0.39 0.60 0.00 -0.54 0.00 0.00 175.26 175.71 1qfg s ALA 585 N -1.21 -1.56 -0.03 6.30 0.00 -0.24 -0.87 121.76 124.15 1qfg s ALA 585 Ca 0.12 1.98 -0.01 0.00 0.00 0.00 0.00 51.96 54.05 1qfg s ALA 585 Cb -0.10 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1qfg s ALA 585 CO 0.06 -0.32 0.06 0.15 0.00 0.00 0.00 175.76 175.70 1qfg s LYS 586 N 1.13 0.02 -0.18 0.00 1.02 -0.44 0.62 119.74 121.91 1qfg s LYS 586 Ca -0.06 0.18 -0.28 0.00 0.02 0.00 0.00 55.97 55.82 1qfg s LYS 586 Cb -0.06 -0.13 0.10 0.00 -0.52 0.00 0.00 37.83 37.23 1qfg s LYS 586 CO -0.11 -0.11 0.88 0.00 -0.92 0.00 0.00 175.35 175.09 1qfg s ALA 587 N 0.70 -1.88 -0.14 5.17 0.00 0.16 -0.59 121.76 125.18 1qfg s ALA 587 Ca -0.06 1.65 -0.26 0.00 0.00 0.00 0.00 51.96 53.30 1qfg s ALA 587 Cb -0.08 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1qfg s ALA 587 CO -0.02 -0.31 0.84 0.00 0.00 0.00 0.00 175.76 176.27 1qfg s ALA 588 N -0.59 3.46 -0.90 0.00 0.00 -0.50 -1.20 121.76 122.03 1qfg s ALA 588 Ca -0.03 0.12 0.23 0.00 0.00 0.00 0.00 51.96 52.28 1qfg s ALA 588 Cb -0.02 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.93 1qfg s ALA 588 CO 0.02 -0.54 1.08 1.28 0.00 0.00 0.00 175.76 177.59 1qfg n LEU 589 N 4.92 0.74 -3.61 0.00 4.77 0.36 -4.89 117.00 119.29 1qfg n LEU 589 Ca 0.04 -0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 55.78 1qfg n LEU 589 Cb 0.49 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1qfg n LEU 589 CO 0.49 0.17 1.13 -0.94 -1.33 0.00 0.00 177.39 176.91 1qfg s SER 590 N -3.21 -0.05 0.00 -1.43 1.04 -1.15 -4.94 113.70 103.96 1qfg s SER 590 Ca 0.08 -0.02 0.13 0.00 0.48 0.00 0.00 55.95 56.61 1qfg s SER 590 Cb 0.16 0.07 0.74 0.00 0.10 0.00 0.00 66.02 67.08 1qfg s SER 590 CO 0.80 -0.11 1.21 0.00 0.98 0.00 0.00 173.24 176.12 1qfg n ALA 591 N -0.22 1.93 0.27 5.32 0.00 -1.26 -2.69 120.51 123.85 1qfg n ALA 591 Ca -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.38 1qfg n ALA 591 Cb 0.60 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 1qfg n ALA 591 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qfg n SER 592 N -1.05 0.60 -4.05 0.00 3.41 -1.26 -4.70 113.62 106.56 1qfg n SER 592 Ca 0.09 -0.59 -0.31 0.00 -0.26 0.00 0.00 58.87 57.80 1qfg n SER 592 Cb 0.05 1.03 -0.16 0.00 -0.26 0.00 0.00 64.21 64.87 1qfg n SER 592 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qfg s VAL 593 N -1.68 1.75 0.04 -3.33 1.01 -1.10 0.30 120.40 117.38 1qfg s VAL 593 Ca 0.02 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1qfg s VAL 593 Cb 0.05 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1qfg s VAL 593 CO 0.26 0.47 -0.24 0.20 0.00 0.00 0.00 175.10 175.80 1qfg s ASN 594 N 1.41 2.82 0.04 3.32 0.01 -0.53 0.14 114.94 122.14 1qfg s ASN 594 Ca 0.05 -0.54 -0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1qfg s ASN 594 Cb -0.13 -0.26 -0.03 0.00 0.41 0.00 0.00 41.25 41.24 1qfg s ASN 594 CO -0.11 0.22 -0.03 0.68 -1.51 0.00 0.00 177.10 176.35 1qfg s VAL 595 N -0.77 0.18 -0.16 1.60 -7.23 -0.34 -0.94 120.40 112.74 1qfg s VAL 595 Ca 0.10 -1.37 -0.17 0.00 -1.81 0.00 0.00 61.98 58.72 1qfg s VAL 595 Cb -0.09 -0.91 0.05 0.00 0.56 0.00 0.00 36.38 35.98 1qfg s VAL 595 CO 0.02 -0.75 0.47 0.54 -0.31 0.00 0.00 175.10 175.07 1qfg s VAL 596 N -2.71 0.01 -0.01 1.32 0.11 -0.43 0.36 120.40 119.05 1qfg s VAL 596 Ca -0.04 -0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.67 1qfg s VAL 596 Cb -0.01 -0.68 0.11 0.00 -1.53 0.00 0.00 36.38 34.27 1qfg s VAL 596 CO -0.05 -0.03 1.27 -0.83 -3.33 0.00 0.00 175.10 172.13 1qfg s GLY 597 N 0.02 -0.24 0.34 6.54 0.00 0.20 0.32 107.32 114.50 1qfg s GLY 597 Ca -0.02 0.30 -0.18 0.00 0.00 0.00 0.00 44.72 44.82 1qfg s GLY 597 CO 0.02 3.04 0.79 -1.35 0.00 0.00 0.00 173.10 175.59 1qfg s SER 598 N -3.42 -0.08 -0.14 1.64 1.04 0.25 -1.07 113.70 111.91 1qfg s SER 598 Ca 0.22 -0.94 -0.14 0.00 0.48 0.00 0.00 55.95 55.57 1qfg s SER 598 Cb 0.02 0.79 0.04 0.00 0.10 0.00 0.00 66.02 66.97 1qfg s SER 598 CO -0.02 -1.54 0.39 -0.47 0.98 0.00 0.00 173.24 172.59 1qfg s TYR 599 N -2.81 -0.43 -0.01 5.02 5.04 0.70 -2.16 117.35 122.69 1qfg s TYR 599 Ca 0.14 1.04 0.02 0.00 -2.44 0.00 0.00 57.07 55.83 1qfg s TYR 599 Cb -0.05 0.15 -0.00 0.00 0.35 0.00 0.00 41.96 42.40 1qfg s TYR 599 CO 0.10 -0.21 -0.07 0.99 -1.34 0.00 0.00 175.55 175.02 1qfg s THR 600 N 0.18 0.55 -0.12 4.34 2.01 0.38 -0.62 115.64 122.35 1qfg s THR 600 Ca -0.00 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1qfg s THR 600 Cb -0.03 -0.48 0.02 0.00 0.01 0.00 0.00 72.50 72.02 1qfg s THR 600 CO 0.01 0.17 -0.13 -0.47 -0.69 0.00 0.00 174.62 173.51 1qfg s TYR 601 N 0.02 1.90 -0.16 4.92 5.04 0.13 -1.56 117.35 127.63 1qfg s TYR 601 Ca 0.00 -0.98 0.00 0.00 -2.44 0.00 0.00 57.07 53.65 1qfg s TYR 601 Cb -0.05 -1.43 0.04 0.00 0.35 0.00 0.00 41.96 40.87 1qfg s TYR 601 CO -0.00 -0.56 -0.08 0.99 -1.34 0.00 0.00 175.55 174.56 1qfg s THR 602 N 1.37 1.31 -0.43 4.34 2.01 0.63 -0.12 115.64 124.74 1qfg s THR 602 Ca 0.01 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.27 1qfg s THR 602 Cb -0.13 -1.39 0.11 0.00 0.01 0.00 0.00 72.50 71.09 1qfg s THR 602 CO -0.07 0.23 0.27 -0.62 -0.69 0.00 0.00 174.62 173.74 1qfg s ASP 603 N 1.56 5.51 -0.13 3.53 2.15 -0.05 -4.28 116.67 124.96 1qfg s ASP 603 Ca 0.02 -1.85 -0.03 0.00 0.43 0.00 0.00 52.55 51.11 1qfg s ASP 603 Cb -0.15 -1.94 -0.03 0.00 -0.30 0.00 0.00 42.92 40.51 1qfg s ASP 603 CO -0.08 -0.60 -0.01 0.00 -0.17 0.00 0.00 175.17 174.31 1qfg s ALA 604 N 1.30 3.17 -0.04 3.66 0.00 -1.26 -1.65 121.76 126.94 1qfg s ALA 604 Ca 0.06 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1qfg s ALA 604 Cb -0.24 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.32 1qfg s ALA 604 CO -0.01 0.36 -0.02 -2.00 0.00 0.00 0.00 175.76 174.08 1qfg s GLU 605 N -0.13 0.56 -0.31 0.00 2.12 0.98 -4.24 118.70 117.68 1qfg s GLU 605 Ca 0.04 -0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.07 1qfg s GLU 605 Cb -0.13 -0.66 -0.02 0.00 0.26 0.00 0.00 34.13 33.59 1qfg s GLU 605 CO 0.02 -0.11 1.70 0.71 -0.54 0.00 0.00 175.26 177.05 1qfg s TYR 606 N 0.98 1.95 -0.15 5.30 2.02 0.13 -0.41 117.35 127.17 1qfg s TYR 606 Ca -0.10 0.60 -0.25 0.00 -0.37 0.00 0.00 57.07 56.94 1qfg s TYR 606 Cb -0.14 -4.12 -0.25 0.00 -0.40 0.00 0.00 41.96 37.05 1qfg s TYR 606 CO -0.01 -2.84 0.61 1.15 -1.57 0.00 0.00 175.55 172.89 1qfg h THR 607 N 6.60 1.47 -3.17 -0.71 2.02 -1.13 0.22 112.91 118.20 1qfg h THR 607 Ca -0.33 -2.32 -0.55 0.00 0.77 0.00 0.00 66.41 63.97 1qfg h THR 607 Cb 1.16 3.00 -0.37 0.00 -1.74 0.00 0.00 68.15 70.20 1qfg h THR 607 CO 1.03 0.55 -0.81 -0.89 0.37 0.00 0.00 175.52 175.76 1qfg s THR 608 N -2.30 1.20 -0.29 3.16 2.01 -0.50 -4.73 115.64 114.19 1qfg s THR 608 Ca -0.21 -0.42 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 1qfg s THR 608 Cb 0.00 -1.20 0.13 0.00 0.01 0.00 0.00 72.50 71.45 1qfg s THR 608 CO 0.68 0.38 0.85 -0.62 -0.69 0.00 0.00 174.62 175.22 1qfg s ASP 609 N 1.63 -0.74 0.09 3.53 -1.08 -1.26 -1.19 116.67 117.65 1qfg s ASP 609 Ca 0.05 1.12 -0.20 0.00 -0.52 0.00 0.00 52.55 53.00 1qfg s ASP 609 Cb -0.13 1.51 -0.06 0.00 -1.46 0.00 0.00 42.92 42.79 1qfg s ASP 609 CO -0.09 -0.17 1.33 0.74 0.52 0.00 0.00 175.17 177.51 1qfg h THR 610 N 5.25 0.00 0.00 1.71 2.02 -1.96 -2.63 112.91 117.29 1qfg h THR 610 Ca -0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1qfg h THR 610 Cb 1.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1qfg h THR 610 CO 0.15 0.00 -0.69 0.41 0.37 0.00 0.00 175.52 175.77 1qfg n THR 611 N -4.36 0.12 -1.30 3.16 -1.04 -1.26 -4.70 114.28 104.89 1qfg n THR 611 Ca -0.01 -0.12 0.01 0.00 -2.04 0.00 0.00 64.05 61.90 1qfg n THR 611 Cb 0.19 0.21 0.01 0.00 -1.82 0.00 0.00 70.33 68.92 1qfg n THR 611 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1qfg n TYR 612 N -1.74 0.00 -1.44 -1.42 4.01 -1.06 -4.98 117.16 110.53 1qfg n TYR 612 Ca 0.04 -0.15 -0.40 0.00 -0.16 0.00 0.00 57.90 57.23 1qfg n TYR 612 Cb 0.38 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.39 1qfg n TYR 612 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1qfg n LYS 613 N -0.19 0.52 0.00 -0.72 2.85 -1.02 -1.48 118.16 118.12 1qfg n LYS 613 Ca 0.02 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 1qfg n LYS 613 Cb 0.57 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 1qfg n LYS 613 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qfg n GLY 614 N 1.84 2.79 3.79 2.58 0.00 0.77 -4.96 105.19 111.99 1qfg n GLY 614 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1qfg n GLY 614 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qfg s ASN 615 N -0.12 5.44 0.00 1.61 -0.87 -0.55 -4.65 114.94 115.81 1qfg s ASN 615 Ca 0.00 1.90 -0.02 0.00 -1.57 0.00 0.00 52.86 53.16 1qfg s ASN 615 Cb 0.00 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.65 1qfg s ASN 615 CO 0.00 -1.40 0.18 0.42 -2.57 0.00 0.00 177.10 173.73 1qfg s THR 616 N -2.42 5.39 0.58 1.60 -4.23 -1.26 -0.69 115.64 114.60 1qfg s THR 616 Ca 0.65 -0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.76 1qfg s THR 616 Cb -0.18 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 1qfg s THR 616 CO 0.40 0.30 1.18 -2.16 -0.54 0.00 0.00 174.62 173.80 1qfg s PRO 617 N -2.01 3.07 0.80 3.99 0.04 -1.26 -4.85 135.00 134.78 1qfg s PRO 617 Ca 0.28 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 1qfg s PRO 617 Cb -0.13 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.52 1qfg s PRO 617 CO 0.20 -1.11 1.06 0.00 0.04 0.00 0.00 177.00 177.19 1qfg n ALA 618 N -1.54 -0.38 -0.80 8.56 0.00 -1.26 -3.07 120.51 122.02 1qfg n ALA 618 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1qfg n ALA 618 Cb 0.50 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1qfg n ALA 618 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qfg n GLN 619 N -2.76 -0.43 -3.94 0.00 6.02 -0.68 -4.97 117.38 110.62 1qfg n GLN 619 Ca 0.13 0.11 -0.34 0.00 -0.01 0.00 0.00 57.00 56.88 1qfg n GLN 619 Cb 0.50 -3.90 -0.14 0.00 1.02 0.00 0.00 30.24 27.73 1qfg n GLN 619 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1qfg s VAL 620 N -1.89 2.85 0.66 5.09 0.11 -1.17 -4.99 120.40 121.06 1qfg s VAL 620 Ca 0.00 -1.39 -0.16 0.00 -2.93 0.00 0.00 61.98 57.50 1qfg s VAL 620 Cb 0.00 -2.63 0.00 0.00 -1.53 0.00 0.00 36.38 32.22 1qfg s VAL 620 CO 0.00 -0.07 1.16 -2.16 -3.33 0.00 0.00 175.10 170.70 1qfg s PRO 621 N 1.24 2.67 0.06 1.54 0.04 -1.26 -4.67 135.00 134.62 1qfg s PRO 621 Ca -0.05 1.59 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1qfg s PRO 621 Cb -0.20 -1.92 -0.24 0.00 0.04 0.00 0.00 34.50 32.19 1qfg s PRO 621 CO -0.02 -1.39 1.07 -0.22 0.04 0.00 0.00 177.00 176.48 1qfg h LYS 622 N 0.18 0.10 -5.21 4.56 3.64 -1.74 -3.40 116.57 114.69 1qfg h LYS 622 Ca -0.48 -0.16 -0.58 0.00 -1.27 0.00 0.00 60.65 58.16 1qfg h LYS 622 Cb 1.27 0.06 -0.32 0.00 -0.41 0.00 0.00 32.23 32.83 1qfg h LYS 622 CO 0.53 0.98 -0.84 -1.01 -2.27 0.00 0.00 179.45 176.83 1qfg s HIS 623 N -2.66 1.83 0.05 1.91 3.76 -1.26 -0.27 115.29 118.65 1qfg s HIS 623 Ca -0.03 -0.59 -0.07 0.00 -0.15 0.00 0.00 55.06 54.22 1qfg s HIS 623 Cb 0.09 -1.25 -0.01 0.00 1.11 0.00 0.00 32.58 32.52 1qfg s HIS 623 CO 0.84 -0.23 0.14 -1.64 -0.85 0.00 0.00 174.74 173.00 1qfg s MET 624 N 0.19 0.67 0.17 1.40 -1.94 -0.60 -0.86 119.30 118.32 1qfg s MET 624 Ca -0.08 -0.79 -0.24 0.00 -1.71 0.00 0.00 55.69 52.88 1qfg s MET 624 Cb -0.13 0.27 0.06 0.00 2.01 0.00 0.00 34.83 37.03 1qfg s MET 624 CO 0.04 -0.18 0.75 0.00 -0.01 0.00 0.00 175.02 175.61 1qfg s ALA 625 N -2.93 -1.53 0.00 3.03 0.00 0.38 -0.47 121.76 120.25 1qfg s ALA 625 Ca -0.02 0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.95 1qfg s ALA 625 Cb 0.01 0.75 0.06 0.00 0.00 0.00 0.00 23.12 23.94 1qfg s ALA 625 CO -0.06 -0.89 0.56 -1.54 0.00 0.00 0.00 175.76 173.83 1qfg s SER 626 N -2.79 -0.51 -0.21 0.00 1.04 -0.92 0.27 113.70 110.58 1qfg s SER 626 Ca 0.07 0.39 -0.15 0.00 0.48 0.00 0.00 55.95 56.74 1qfg s SER 626 Cb -0.03 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.65 1qfg s SER 626 CO -0.03 -0.65 0.53 -0.22 0.98 0.00 0.00 173.24 173.85 1qfg s LEU 627 N -1.58 -0.27 0.02 2.42 2.96 0.21 0.86 118.68 123.31 1qfg s LEU 627 Ca -0.09 1.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.99 1qfg s LEU 627 Cb -0.01 1.82 -0.02 0.00 0.50 0.00 0.00 46.19 48.48 1qfg s LEU 627 CO 0.04 -0.20 -0.12 0.86 -1.32 0.00 0.00 176.35 175.61 1qfg s TRP 628 N 0.93 1.04 -0.02 5.38 -0.00 0.15 -0.26 118.94 126.16 1qfg s TRP 628 Ca -0.05 -0.29 -0.01 0.00 -0.00 0.00 0.00 56.10 55.75 1qfg s TRP 628 Cb -0.05 -0.64 0.01 0.00 -0.00 0.00 0.00 33.47 32.79 1qfg s TRP 628 CO -0.08 0.00 0.05 0.00 -0.00 0.00 0.00 176.95 176.92 1qfg s ALA 629 N -0.64 -0.07 0.01 5.86 0.00 -0.60 -1.32 121.76 124.99 1qfg s ALA 629 Ca 0.01 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1qfg s ALA 629 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1qfg s ALA 629 CO 0.00 -0.05 -0.18 0.16 0.00 0.00 0.00 175.76 175.69 1qfg s ASP 630 N 0.37 2.16 -0.09 0.00 -4.77 -0.12 -0.50 116.67 113.72 1qfg s ASP 630 Ca -0.03 -0.40 0.02 0.00 -3.30 0.00 0.00 52.55 48.83 1qfg s ASP 630 Cb -0.04 -0.21 0.02 0.00 -1.09 0.00 0.00 42.92 41.60 1qfg s ASP 630 CO -0.01 0.18 -0.13 -0.47 0.70 0.00 0.00 175.17 175.43 1qfg s TYR 631 N -0.59 1.72 -0.03 2.11 5.04 0.40 -1.45 117.35 124.55 1qfg s TYR 631 Ca 0.06 -0.76 0.05 0.00 -2.44 0.00 0.00 57.07 53.98 1qfg s TYR 631 Cb -0.08 -1.27 -0.02 0.00 0.35 0.00 0.00 41.96 40.94 1qfg s TYR 631 CO 0.00 -0.41 -0.18 0.99 -1.34 0.00 0.00 175.55 174.61 1qfg s THR 632 N 0.98 2.78 -0.37 4.34 2.01 0.86 -0.07 115.64 126.17 1qfg s THR 632 Ca -0.08 -0.87 -0.11 0.00 0.31 0.00 0.00 61.69 60.95 1qfg s THR 632 Cb -0.15 -2.07 0.03 0.00 0.01 0.00 0.00 72.50 70.32 1qfg s THR 632 CO -0.01 0.56 0.21 -0.36 -0.69 0.00 0.00 174.62 174.33 1qfg s PHE 633 N -0.72 3.24 -2.35 4.92 0.08 -0.50 -4.54 117.98 118.11 1qfg s PHE 633 Ca 0.11 -0.94 0.19 0.00 0.12 0.00 0.00 56.93 56.42 1qfg s PHE 633 Cb -0.10 -2.44 0.18 0.00 -0.57 0.00 0.00 43.02 40.09 1qfg s PHE 633 CO 0.01 -0.64 1.14 1.19 -0.10 0.00 0.00 175.22 176.81 1qfg n PHE 634 N 5.00 0.06 -4.52 0.36 3.01 -1.26 0.18 117.46 120.29 1qfg n PHE 634 Ca -0.12 -0.04 -0.29 0.00 1.01 0.00 0.00 57.45 58.02 1qfg n PHE 634 Cb 0.46 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.85 1qfg n PHE 634 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1qfg s ASP 635 N -1.56 4.12 0.81 4.37 1.01 -1.26 -4.83 116.67 119.33 1qfg s ASP 635 Ca 0.24 -1.40 0.00 0.00 0.71 0.00 0.00 52.55 52.10 1qfg s ASP 635 Cb 0.16 -0.05 0.00 0.00 1.01 0.00 0.00 42.92 44.05 1qfg s ASP 635 CO 0.24 -0.65 0.00 0.61 0.21 0.00 0.00 175.17 175.58 1qfg n GLY 636 N -1.18 0.62 1.14 0.21 0.00 -1.26 -3.51 105.19 101.20 1qfg n GLY 636 Ca -0.09 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.24 1qfg n GLY 636 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qfg n PRO 637 N 0.00 2.49 -1.82 1.61 -0.02 -1.26 -4.10 135.00 131.90 1qfg n PRO 637 Ca 0.00 -2.25 -0.27 0.00 -2.02 0.00 0.00 63.50 58.95 1qfg n PRO 637 Cb 0.00 -1.51 0.04 0.00 -0.02 0.00 0.00 33.50 32.00 1qfg n PRO 637 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1qfg n LEU 638 N 1.46 5.77 -4.72 2.45 4.77 -1.24 -5.00 117.00 120.49 1qfg n LEU 638 Ca 0.19 -4.62 -0.40 0.00 -0.03 0.00 0.00 56.01 51.15 1qfg n LEU 638 Cb 0.60 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1qfg n LEU 638 CO 0.16 1.92 0.46 -0.55 -1.33 0.00 0.00 177.39 178.05 1qfg s SER 639 N -3.06 7.08 0.00 -1.43 0.15 -1.23 -3.42 113.70 111.79 1qfg s SER 639 Ca 0.55 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.51 1qfg s SER 639 Cb 0.44 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1qfg s SER 639 CO 0.02 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1qfg n GLY 640 N 3.02 0.51 3.22 9.45 0.00 0.48 -4.84 105.19 117.03 1qfg n GLY 640 Ca 0.00 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1qfg n GLY 640 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qfg s LEU 641 N 0.00 2.49 -0.09 0.99 2.96 -1.22 0.17 118.68 123.98 1qfg s LEU 641 Ca 0.00 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1qfg s LEU 641 Cb 0.00 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1qfg s LEU 641 CO 0.00 0.01 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.06 1qfg s THR 642 N 1.29 3.48 -0.00 3.68 2.01 0.23 -1.41 115.64 124.92 1qfg s THR 642 Ca 0.04 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 61.55 1qfg s THR 642 Cb -0.14 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 1qfg s THR 642 CO -0.07 0.57 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.49 1qfg s LEU 643 N -0.43 2.06 0.05 4.42 1.43 0.90 -0.81 118.68 126.29 1qfg s LEU 643 Ca 0.06 -0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 1qfg s LEU 643 Cb -0.12 -0.91 0.04 0.00 0.03 0.00 0.00 46.19 45.22 1qfg s LEU 643 CO 0.02 0.20 0.41 -0.83 0.23 0.00 0.00 176.35 176.39 1qfg s GLY 644 N -0.55 -0.28 0.06 -3.19 0.00 -0.53 0.15 107.32 102.99 1qfg s GLY 644 Ca 0.07 0.31 -0.26 0.00 0.00 0.00 0.00 44.72 44.84 1qfg s GLY 644 CO -0.00 0.05 0.62 -1.08 0.00 0.00 0.00 173.10 172.69 1qfg s THR 645 N -2.50 0.00 0.21 0.90 -1.32 0.35 -1.04 115.64 112.24 1qfg s THR 645 Ca -0.05 -0.04 -0.15 0.00 -1.21 0.00 0.00 61.69 60.23 1qfg s THR 645 Cb -0.01 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.00 1qfg s THR 645 CO -0.02 -0.02 0.49 -0.83 -2.21 0.00 0.00 174.62 172.03 1qfg s GLY 646 N -2.04 0.12 -0.03 6.08 0.00 0.22 -1.56 107.32 110.11 1qfg s GLY 646 Ca -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.22 1qfg s GLY 646 CO -0.03 -0.41 -0.04 -0.32 0.00 0.00 0.00 173.10 172.30 1qfg s GLY 647 N -2.92 0.38 -0.23 0.20 0.00 0.64 -1.47 107.32 103.93 1qfg s GLY 647 Ca 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.81 1qfg s GLY 647 CO 0.01 0.34 -0.11 0.50 0.00 0.00 0.00 173.10 173.85 1qfg s ARG 648 N 0.74 2.77 -0.25 2.90 0.52 0.67 -0.62 118.95 125.69 1qfg s ARG 648 Ca -0.09 -1.00 -0.11 0.00 -0.52 0.00 0.00 55.73 54.00 1qfg s ARG 648 Cb -0.12 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.44 1qfg s ARG 648 CO -0.00 -0.38 0.19 -0.47 0.02 0.00 0.00 175.30 174.66 1qfg s TYR 649 N 1.28 3.30 -0.24 -0.53 5.04 0.75 -1.06 117.35 125.89 1qfg s TYR 649 Ca -0.00 0.23 0.02 0.00 -2.44 0.00 0.00 57.07 54.88 1qfg s TYR 649 Cb -0.16 -2.32 0.05 0.00 0.35 0.00 0.00 41.96 39.88 1qfg s TYR 649 CO -0.07 0.01 -0.12 0.99 -1.34 0.00 0.00 175.55 175.02 1qfg s THR 650 N 1.24 2.24 1.35 4.34 2.01 0.18 -0.47 115.64 126.54 1qfg s THR 650 Ca 0.08 -1.39 -0.19 0.00 0.31 0.00 0.00 61.69 60.50 1qfg s THR 650 Cb -0.14 -2.21 0.35 0.00 0.01 0.00 0.00 72.50 70.51 1qfg s THR 650 CO 0.06 0.13 0.95 -0.83 -0.69 0.00 0.00 174.62 174.24 1qfg s GLY 651 N 1.18 1.45 0.70 4.40 0.00 -0.04 -0.12 107.32 114.88 1qfg s GLY 651 Ca -0.04 -0.55 -0.11 0.00 0.00 0.00 0.00 44.72 44.02 1qfg s GLY 651 CO -0.07 0.37 1.06 -1.35 0.00 0.00 0.00 173.10 173.11 1qfg s SER 652 N -2.83 5.39 0.15 1.64 1.04 -1.26 -4.08 113.70 113.76 1qfg s SER 652 Ca 0.69 1.58 -0.17 0.00 0.48 0.00 0.00 55.95 58.52 1qfg s SER 652 Cb -0.18 -2.46 0.03 0.00 0.10 0.00 0.00 66.02 63.51 1qfg s SER 652 CO 0.61 -1.43 0.45 -0.94 0.98 0.00 0.00 173.24 172.91 1qfg s SER 653 N -3.84 -0.25 0.32 7.02 1.04 0.41 -3.64 113.70 114.75 1qfg s SER 653 Ca 0.58 -0.38 -0.23 0.00 0.48 0.00 0.00 55.95 56.40 1qfg s SER 653 Cb -0.14 0.52 -0.10 0.00 0.10 0.00 0.00 66.02 66.40 1qfg s SER 653 CO 0.55 -0.94 0.89 -0.31 0.98 0.00 0.00 173.24 174.41 1qfg s TYR 654 N -3.83 3.59 -0.28 5.02 1.51 -1.26 0.82 117.35 122.92 1qfg s TYR 654 Ca 0.06 1.63 0.12 0.00 -1.01 0.00 0.00 57.07 57.87 1qfg s TYR 654 Cb 0.01 -2.82 0.65 0.00 -0.11 0.00 0.00 41.96 39.68 1qfg s TYR 654 CO -0.08 0.17 1.65 0.41 -1.11 0.00 0.00 175.55 176.58 1qfg n GLY 655 N 0.30 3.99 3.64 0.71 0.00 -1.12 -1.68 105.19 111.04 1qfg n GLY 655 Ca 0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 1qfg n GLY 655 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qfg s ASP 656 N -1.55 -0.06 0.39 1.61 1.47 -1.26 -1.36 116.67 115.91 1qfg s ASP 656 Ca 0.50 0.05 0.07 0.00 1.18 0.00 0.00 52.55 54.35 1qfg s ASP 656 Cb 0.41 0.05 0.82 0.00 -0.34 0.00 0.00 42.92 43.86 1qfg s ASP 656 CO 0.10 -0.06 2.02 -0.65 0.68 0.00 0.00 175.17 177.26 1qfg h PRO 657 N 2.07 0.61 0.00 2.11 0.11 -1.90 -0.90 132.00 134.11 1qfg h PRO 657 Ca -0.08 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 1qfg h PRO 657 Cb 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1qfg h PRO 657 CO 0.22 0.40 -0.01 0.00 -0.21 0.00 0.00 178.00 178.41 1qfg h ALA 658 N 1.69 1.07 -4.09 -0.75 0.00 -1.93 -3.45 119.26 111.79 1qfg h ALA 658 Ca 0.21 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.75 1qfg h ALA 658 Cb 0.07 -0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.92 1qfg h ALA 658 CO -0.05 0.01 -0.55 0.09 0.00 0.00 0.00 179.25 178.75 1qfg n ASN 659 N -3.19 -5.68 0.00 0.00 5.03 -0.34 -4.88 115.26 106.21 1qfg n ASN 659 Ca -0.02 -0.27 0.11 0.00 0.87 0.00 0.00 54.58 55.27 1qfg n ASN 659 Cb 0.12 -4.50 0.54 0.00 -1.02 0.00 0.00 39.78 34.92 1qfg n ASN 659 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1qfg n SER 660 N -2.08 0.00 -3.11 6.41 3.41 -1.26 -4.89 113.62 112.10 1qfg n SER 660 Ca -0.10 0.28 -0.09 0.00 -0.26 0.00 0.00 58.87 58.69 1qfg n SER 660 Cb 0.61 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1qfg n SER 660 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1qfg s PHE 661 N -2.83 0.22 0.01 7.33 -0.71 -1.26 -5.08 117.98 115.66 1qfg s PHE 661 Ca 0.16 -0.80 0.00 0.00 -1.04 0.00 0.00 56.93 55.25 1qfg s PHE 661 Cb 0.16 0.68 -0.01 0.00 -1.21 0.00 0.00 43.02 42.64 1qfg s PHE 661 CO 0.40 -1.46 -0.02 0.15 -1.34 0.00 0.00 175.22 172.95 1qfg s LYS 662 N -2.65 0.21 -0.16 1.99 1.02 -1.26 -2.78 119.74 116.10 1qfg s LYS 662 Ca 0.17 -0.32 -0.08 0.00 0.02 0.00 0.00 55.97 55.76 1qfg s LYS 662 Cb -0.04 -0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 1qfg s LYS 662 CO 0.12 -0.00 0.10 0.08 -0.92 0.00 0.00 175.35 174.72 1qfg s VAL 663 N -0.70 5.11 0.63 3.17 1.01 0.24 -4.89 120.40 124.96 1qfg s VAL 663 Ca -0.07 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 1qfg s VAL 663 Cb -0.05 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1qfg s VAL 663 CO -0.00 0.50 1.04 -0.83 0.00 0.00 0.00 175.10 175.81 1qfg s GLY 664 N -0.07 1.83 0.95 4.51 0.00 -1.26 -0.45 107.32 112.83 1qfg s GLY 664 Ca 0.08 0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.82 1qfg s GLY 664 CO 0.01 0.43 0.93 -1.14 0.00 0.00 0.00 173.10 173.32 1qfg n SER 665 N -2.55 -0.50 -3.47 1.64 3.41 -1.26 -4.64 113.62 106.24 1qfg n SER 665 Ca 0.07 0.33 -0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1qfg n SER 665 Cb 0.54 -1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.08 1qfg n SER 665 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1qfg s TYR 666 N -2.55 -0.48 -0.09 7.33 -0.85 0.83 -4.93 117.35 116.61 1qfg s TYR 666 Ca 0.64 0.43 -0.04 0.00 -0.52 0.00 0.00 57.07 57.59 1qfg s TYR 666 Cb -0.22 0.52 0.05 0.00 0.38 0.00 0.00 41.96 42.69 1qfg s TYR 666 CO 0.61 -0.67 0.17 0.99 -1.52 0.00 0.00 175.55 175.13 1qfg s THR 667 N -2.96 -0.28 0.04 -3.49 2.01 -1.26 0.50 115.64 110.21 1qfg s THR 667 Ca 0.00 0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.40 1qfg s THR 667 Cb -0.01 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1qfg s THR 667 CO -0.07 0.15 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.21 1qfg s VAL 668 N 2.30 3.35 -0.07 3.82 1.01 -0.22 -4.94 120.40 125.65 1qfg s VAL 668 Ca 0.03 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1qfg s VAL 668 Cb -0.12 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 1qfg s VAL 668 CO -0.06 0.30 -0.22 -0.69 0.00 0.00 0.00 175.10 174.43 1qfg s VAL 669 N -1.04 1.84 0.12 2.92 1.01 -1.26 -0.24 120.40 123.75 1qfg s VAL 669 Ca 0.18 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1qfg s VAL 669 Cb -0.11 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1qfg s VAL 669 CO 0.09 0.51 -0.20 -1.81 0.00 0.00 0.00 175.10 173.70 1qfg s ASP 670 N 0.18 2.51 0.15 3.32 1.01 -0.54 0.17 116.67 123.46 1qfg s ASP 670 Ca -0.11 -0.73 -0.22 0.00 0.71 0.00 0.00 52.55 52.20 1qfg s ASP 670 Cb -0.15 -0.14 0.06 0.00 1.01 0.00 0.00 42.92 43.70 1qfg s ASP 670 CO 0.06 0.02 0.55 0.00 0.21 0.00 0.00 175.17 176.01 1qfg s ALA 671 N -1.43 -1.45 0.13 5.23 0.00 -0.29 0.70 121.76 124.66 1qfg s ALA 671 Ca 0.08 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 1qfg s ALA 671 Cb -0.09 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1qfg s ALA 671 CO 0.05 -0.73 0.22 -0.48 0.00 0.00 0.00 175.76 174.82 1qfg s LEU 672 N -2.72 1.23 -0.06 0.00 0.05 -0.21 -0.45 118.68 116.51 1qfg s LEU 672 Ca 0.01 -0.84 -0.02 0.00 0.05 0.00 0.00 54.13 53.32 1qfg s LEU 672 Cb -0.00 1.02 0.04 0.00 -2.05 0.00 0.00 46.19 45.20 1qfg s LEU 672 CO -0.12 -0.82 0.12 0.68 -0.55 0.00 0.00 176.35 175.66 1qfg s VAL 673 N -3.94 -0.13 -0.01 1.48 -7.23 -0.54 -1.45 120.40 108.58 1qfg s VAL 673 Ca 0.14 0.27 0.04 0.00 -1.81 0.00 0.00 61.98 60.62 1qfg s VAL 673 Cb 0.04 -0.23 -0.01 0.00 0.56 0.00 0.00 36.38 36.75 1qfg s VAL 673 CO -0.03 0.11 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.14 1qfg s ARG 674 N 1.63 1.07 -0.25 4.82 3.52 0.01 -0.04 118.95 129.72 1qfg s ARG 674 Ca -0.04 -0.47 0.02 0.00 -0.13 0.00 0.00 55.73 55.12 1qfg s ARG 674 Cb -0.12 -1.04 0.05 0.00 -1.56 0.00 0.00 34.95 32.29 1qfg s ARG 674 CO -0.05 0.28 -0.11 -0.47 -0.81 0.00 0.00 175.30 174.14 1qfg s TYR 675 N -0.30 3.10 -0.08 5.12 5.04 0.08 0.76 117.35 131.07 1qfg s TYR 675 Ca 0.05 -2.17 -0.30 0.00 -2.44 0.00 0.00 57.07 52.21 1qfg s TYR 675 Cb -0.05 -1.88 -0.36 0.00 0.35 0.00 0.00 41.96 40.01 1qfg s TYR 675 CO -0.00 -0.86 1.61 -3.47 -1.34 0.00 0.00 175.55 171.49 1qfg n ASP 676 N 4.48 0.99 -0.05 4.32 -0.08 0.45 -2.01 116.55 124.66 1qfg n ASP 676 Ca -0.15 -2.47 0.04 0.00 -1.51 0.00 0.00 54.79 50.70 1qfg n ASP 676 Cb 0.43 -0.59 0.06 0.00 2.34 0.00 0.00 41.12 43.36 1qfg n ASP 676 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1qfg n LEU 677 N 9.78 0.01 -0.00 -2.67 7.94 -1.10 -2.97 117.00 127.99 1qfg n LEU 677 Ca 0.46 0.09 -0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1qfg n LEU 677 Cb 0.42 -0.05 -0.00 0.00 0.53 0.00 0.00 43.42 44.33 1qfg n LEU 677 CO 1.14 -0.10 0.00 0.00 -1.11 0.00 0.00 177.39 177.32 1qfg n ALA 678 N -2.35 -0.00 0.00 1.96 0.00 -0.49 -0.75 120.51 118.88 1qfg n ALA 678 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1qfg n ALA 678 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1qfg n ALA 678 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qfg n ARG 679 N -2.42 0.00 -0.90 0.00 1.74 -1.16 0.12 116.66 114.04 1qfg n ARG 679 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 1qfg n ARG 679 Cb 0.00 -0.86 0.03 0.00 -1.02 0.00 0.00 32.46 30.61 1qfg n ARG 679 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1qfg n VAL 680 N -0.03 0.25 0.00 1.55 0.31 0.07 -4.99 118.33 115.49 1qfg n VAL 680 Ca 0.00 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 1qfg n VAL 680 Cb 0.00 0.62 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1qfg n VAL 680 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qfg n GLY 681 N 0.05 2.41 3.34 2.92 0.00 0.32 -4.93 105.19 109.30 1qfg n GLY 681 Ca 0.05 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1qfg n GLY 681 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qfg n MET 682 N 0.00 0.04 -3.09 1.61 2.81 -1.17 -4.82 117.12 112.50 1qfg n MET 682 Ca 0.00 -0.93 -0.33 0.00 -1.81 0.00 0.00 57.70 54.63 1qfg n MET 682 Cb 0.00 -2.58 -0.06 0.00 -0.71 0.00 0.00 33.22 29.87 1qfg n MET 682 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qfg s ALA 683 N 9.40 3.30 0.00 3.04 0.00 -1.25 -1.40 121.76 134.84 1qfg s ALA 683 Ca 0.48 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1qfg s ALA 683 Cb -0.00 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1qfg s ALA 683 CO 0.14 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1qfg n GLY 684 N -0.26 1.82 3.98 0.00 0.00 -1.26 -4.76 105.19 104.72 1qfg n GLY 684 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1qfg n GLY 684 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qfg s SER 685 N -3.31 6.03 0.02 1.61 0.01 -1.19 -4.42 113.70 112.46 1qfg s SER 685 Ca 0.00 -0.07 -0.28 0.00 1.31 0.00 0.00 55.95 56.91 1qfg s SER 685 Cb 0.00 -1.41 0.10 0.00 0.21 0.00 0.00 66.02 64.92 1qfg s SER 685 CO 0.00 -0.38 0.88 0.54 0.41 0.00 0.00 173.24 174.68 1qfg s ASN 686 N -4.14 -0.36 -0.00 2.44 4.22 -0.79 -2.72 114.94 113.58 1qfg s ASN 686 Ca 0.43 -0.03 0.06 0.00 -2.14 0.00 0.00 52.86 51.17 1qfg s ASN 686 Cb -0.09 0.41 -0.02 0.00 1.28 0.00 0.00 41.25 42.83 1qfg s ASN 686 CO 0.31 -0.66 -0.18 -0.69 -2.04 0.00 0.00 177.10 173.84 1qfg s VAL 687 N -3.17 1.40 0.04 3.54 1.01 -0.85 -1.03 120.40 121.34 1qfg s VAL 687 Ca 0.05 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1qfg s VAL 687 Cb -0.01 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1qfg s VAL 687 CO -0.08 0.35 0.13 0.00 0.00 0.00 0.00 175.10 175.49 1qfg s ALA 688 N -0.48 -0.15 -0.11 5.51 0.00 0.15 -0.74 121.76 125.94 1qfg s ALA 688 Ca 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1qfg s ALA 688 Cb -0.07 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1qfg s ALA 688 CO -0.00 -0.34 -0.11 -1.17 0.00 0.00 0.00 175.76 174.13 1qfg s LEU 689 N -2.17 1.49 -0.05 0.00 2.96 0.94 0.45 118.68 122.30 1qfg s LEU 689 Ca -0.04 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.56 1qfg s LEU 689 Cb -0.01 -0.96 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1qfg s LEU 689 CO -0.05 -0.05 -0.24 -1.00 -1.32 0.00 0.00 176.35 173.69 1qfg s HIS 690 N 1.30 2.34 -0.09 5.38 3.76 0.15 -1.46 115.29 126.66 1qfg s HIS 690 Ca -0.01 -0.67 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 1qfg s HIS 690 Cb -0.14 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.04 1qfg s HIS 690 CO -0.05 -0.19 -0.09 0.08 -0.85 0.00 0.00 174.74 173.63 1qfg s VAL 691 N -0.19 1.07 -0.05 -0.90 1.01 0.40 -0.75 120.40 120.98 1qfg s VAL 691 Ca -0.02 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1qfg s VAL 691 Cb -0.13 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1qfg s VAL 691 CO 0.03 0.36 -0.10 0.20 0.00 0.00 0.00 175.10 175.59 1qfg s ASN 692 N 1.26 4.38 -0.92 3.32 0.01 0.21 -1.14 114.94 122.07 1qfg s ASN 692 Ca -0.03 -0.11 -0.05 0.00 -0.71 0.00 0.00 52.86 51.96 1qfg s ASN 692 Cb -0.14 -1.02 -0.03 0.00 0.41 0.00 0.00 41.25 40.47 1qfg s ASN 692 CO -0.03 0.35 0.80 -3.20 -1.51 0.00 0.00 177.10 173.50 1qfg n ASN 693 N 2.19 -6.89 -0.23 -1.22 5.15 -0.66 -0.43 115.26 113.18 1qfg n ASN 693 Ca -0.17 -0.49 0.03 0.00 -0.60 0.00 0.00 54.58 53.34 1qfg n ASN 693 Cb 0.53 -4.85 0.13 0.00 -0.53 0.00 0.00 39.78 35.06 1qfg n ASN 693 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1qfg h LEU 694 N -0.49 -0.24 -1.62 1.20 5.85 -0.50 0.14 115.31 119.64 1qfg h LEU 694 Ca -0.36 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1qfg h LEU 694 Cb 1.19 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1qfg h LEU 694 CO 0.38 -0.12 0.02 0.49 -0.34 0.00 0.00 178.44 178.88 1qfg n PHE 695 N -5.27 0.37 -3.08 1.25 3.72 -1.26 -4.90 117.46 108.28 1qfg n PHE 695 Ca 0.11 -0.26 -0.17 0.00 -0.05 0.00 0.00 57.45 57.09 1qfg n PHE 695 Cb 0.41 -0.21 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 1qfg n PHE 695 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1qfg n ASP 696 N 0.13 -0.24 -4.71 4.37 -0.08 0.47 -4.86 116.55 111.64 1qfg n ASP 696 Ca 0.06 -0.57 -0.36 0.00 -1.51 0.00 0.00 54.79 52.41 1qfg n ASP 696 Cb 0.47 -0.72 0.08 0.00 2.34 0.00 0.00 41.12 43.29 1qfg n ASP 696 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1qfg n ARG 697 N -2.34 0.86 -3.76 -0.67 0.63 -1.26 -4.79 116.66 105.33 1qfg n ARG 697 Ca -0.04 0.36 -0.37 0.00 -0.92 0.00 0.00 57.85 56.87 1qfg n ARG 697 Cb 0.26 -2.49 -0.12 0.00 0.45 0.00 0.00 32.46 30.55 1qfg n ARG 697 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1qfg s GLU 698 N -3.54 2.95 0.13 -0.14 2.02 -1.26 -4.75 118.70 114.12 1qfg s GLU 698 Ca 0.80 -0.95 -0.02 0.00 0.02 0.00 0.00 54.97 54.81 1qfg s GLU 698 Cb -0.36 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 1qfg s GLU 698 CO 0.43 -0.51 0.09 1.52 0.02 0.00 0.00 175.26 176.81 1qfg s TYR 699 N 1.47 0.77 -0.20 1.61 1.13 -1.26 -5.05 117.35 115.82 1qfg s TYR 699 Ca 0.01 -1.15 -0.05 0.00 -1.41 0.00 0.00 57.07 54.47 1qfg s TYR 699 Cb -0.18 -0.41 -0.02 0.00 -1.10 0.00 0.00 41.96 40.25 1qfg s TYR 699 CO 0.03 -0.54 -0.00 0.08 -2.51 0.00 0.00 175.55 172.60 1qfg s VAL 700 N -4.03 3.92 0.08 -3.49 1.01 -1.26 -0.53 120.40 116.10 1qfg s VAL 700 Ca 0.22 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.61 1qfg s VAL 700 Cb 0.07 -2.77 -0.17 0.00 0.00 0.00 0.00 36.38 33.51 1qfg s VAL 700 CO 0.01 0.43 1.68 0.00 0.00 0.00 0.00 175.10 177.22 1qfg h ALA 701 N 7.51 -0.37 -1.99 5.51 0.00 0.08 -3.45 119.26 126.54 1qfg h ALA 701 Ca -0.36 -0.08 0.32 0.00 0.00 0.00 0.00 54.91 54.79 1qfg h ALA 701 Cb 1.18 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1qfg h ALA 701 CO 0.61 -0.71 0.85 -1.54 0.00 0.00 0.00 179.25 178.47 1qfg s SER 702 N -4.87 -0.01 -0.02 0.00 1.04 -1.25 -4.84 113.70 103.75 1qfg s SER 702 Ca -0.15 -0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.02 1qfg s SER 702 Cb 0.05 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1qfg s SER 702 CO 0.64 -0.36 0.08 0.00 0.98 0.00 0.00 173.24 174.58 1qfg n PHE 704 N 2.60 0.00 -3.71 0.00 1.16 0.43 -4.02 117.46 113.91 1qfg n PHE 704 Ca -0.15 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.38 1qfg n PHE 704 Cb 0.58 -0.12 -0.02 0.00 -1.61 0.00 0.00 39.48 38.32 1qfg n PHE 704 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1qfg s ASN 705 N -2.99 -0.22 0.60 5.98 3.84 -0.46 -4.12 114.94 117.56 1qfg s ASN 705 Ca 0.02 -0.34 0.29 0.00 0.21 0.00 0.00 52.86 53.04 1qfg s ASN 705 Cb 0.12 0.49 1.57 0.00 -0.55 0.00 0.00 41.25 42.89 1qfg s ASN 705 CO 0.68 -0.89 1.98 0.71 -2.79 0.00 0.00 177.10 176.80 1qfg h THR 706 N 2.00 0.37 -0.17 -5.21 1.35 -1.94 0.12 112.91 109.42 1qfg h THR 706 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1qfg h THR 706 Cb 1.24 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1qfg h THR 706 CO 0.26 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.53 1qfg n TYR 707 N -3.66 0.20 -3.88 4.73 0.18 -1.26 -1.11 117.16 112.36 1qfg n TYR 707 Ca 0.04 -0.14 -0.29 0.00 1.88 0.00 0.00 57.90 59.40 1qfg n TYR 707 Cb 0.50 -0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.32 1qfg n TYR 707 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1qfg s GLY 708 N -1.34 2.45 0.12 -7.48 0.00 0.41 -3.89 107.32 97.60 1qfg s GLY 708 Ca 0.25 -3.33 0.08 0.00 0.00 0.00 0.00 44.72 41.72 1qfg s GLY 708 CO 0.23 1.14 -0.18 0.00 0.00 0.00 0.00 173.10 174.29 1qfg s PHE 710 N -1.65 1.44 0.30 0.00 0.08 -0.14 -1.98 117.98 116.03 1qfg s PHE 710 Ca 0.09 -0.72 -0.29 0.00 0.12 0.00 0.00 56.93 56.13 1qfg s PHE 710 Cb -0.08 -1.21 -0.10 0.00 -0.57 0.00 0.00 43.02 41.06 1qfg s PHE 710 CO 0.05 -0.51 1.38 -1.58 -0.10 0.00 0.00 175.22 174.45 1qfg s TRP 711 N 1.72 2.98 1.02 0.36 0.23 -1.26 0.76 118.94 124.75 1qfg s TRP 711 Ca 0.05 1.24 -0.17 0.00 -2.03 0.00 0.00 56.10 55.19 1qfg s TRP 711 Cb -0.13 -3.77 0.25 0.00 0.03 0.00 0.00 33.47 29.85 1qfg s TRP 711 CO -0.08 -2.29 1.00 0.41 0.96 0.00 0.00 176.95 176.95 1qfg n GLY 712 N 1.29 -2.43 3.73 0.98 0.00 0.31 -2.53 105.19 106.55 1qfg n GLY 712 Ca 0.03 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 1qfg n GLY 712 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfg s ALA 713 N -3.25 3.41 0.34 4.61 0.00 -1.26 -4.34 121.76 121.28 1qfg s ALA 713 Ca 0.63 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 52.45 1qfg s ALA 713 Cb -0.05 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.14 1qfg s ALA 713 CO 0.47 -0.00 0.82 -1.83 0.00 0.00 0.00 175.76 175.22 1qfg s GLU 714 N 0.45 4.17 0.00 0.00 -1.05 -1.26 -4.88 118.70 116.14 1qfg s GLU 714 Ca 0.33 0.91 -0.17 0.00 -0.15 0.00 0.00 54.97 55.89 1qfg s GLU 714 Cb -0.17 -2.45 -0.08 0.00 -0.44 0.00 0.00 34.13 30.98 1qfg s GLU 714 CO 0.16 0.14 0.45 -2.13 0.95 0.00 0.00 175.26 174.84 1qfg n ARG 715 N -0.20 0.00 -4.49 -4.83 0.63 -1.25 -4.96 116.66 101.57 1qfg n ARG 715 Ca 0.04 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.72 1qfg n ARG 715 Cb 0.53 -0.63 -0.13 0.00 0.45 0.00 0.00 32.46 32.67 1qfg n ARG 715 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1qfg s GLN 716 N -0.01 1.23 -0.06 -0.14 0.74 0.43 -4.97 119.66 116.89 1qfg s GLN 716 Ca 0.38 -0.98 0.00 0.00 0.05 0.00 0.00 55.36 54.81 1qfg s GLN 716 Cb -0.54 -1.38 0.02 0.00 1.10 0.00 0.00 33.01 32.22 1qfg s GLN 716 CO 0.24 0.34 -0.04 0.08 -0.55 0.00 0.00 175.29 175.36 1qfg s VAL 717 N -0.93 0.56 -0.01 1.34 1.01 -1.26 -0.62 120.40 120.50 1qfg s VAL 717 Ca 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1qfg s VAL 717 Cb -0.09 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1qfg s VAL 717 CO 0.02 0.25 -0.01 -0.69 0.00 0.00 0.00 175.10 174.67 1qfg s VAL 718 N 1.27 0.14 -0.13 2.92 1.01 0.07 -0.46 120.40 125.23 1qfg s VAL 718 Ca -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1qfg s VAL 718 Cb -0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1qfg s VAL 718 CO -0.02 0.06 -0.11 0.00 0.00 0.00 0.00 175.10 175.03 1qfg s ALA 719 N 0.12 2.72 -0.05 5.51 0.00 0.13 0.31 121.76 130.52 1qfg s ALA 719 Ca -0.01 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1qfg s ALA 719 Cb -0.03 -1.27 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 1qfg s ALA 719 CO -0.00 0.28 -0.16 0.99 0.00 0.00 0.00 175.76 176.87 1qfg s THR 720 N 0.21 1.36 -0.18 0.00 2.01 0.17 -1.15 115.64 118.06 1qfg s THR 720 Ca -0.07 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1qfg s THR 720 Cb -0.15 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.20 1qfg s THR 720 CO 0.05 0.40 -0.19 0.00 -0.69 0.00 0.00 174.62 174.18 1qfg s ALA 721 N 0.13 2.36 -0.17 7.40 0.00 0.20 0.31 121.76 131.99 1qfg s ALA 721 Ca -0.05 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1qfg s ALA 721 Cb -0.12 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1qfg s ALA 721 CO 0.02 -0.32 -0.13 -0.08 0.00 0.00 0.00 175.76 175.25 1qfg s THR 722 N 1.26 1.66 -0.13 0.00 -1.32 -0.20 0.38 115.64 117.30 1qfg s THR 722 Ca 0.04 -0.81 -0.03 0.00 -1.21 0.00 0.00 61.69 59.67 1qfg s THR 722 Cb -0.13 -1.62 -0.03 0.00 -1.51 0.00 0.00 72.50 69.21 1qfg s THR 722 CO -0.11 0.36 -0.00 -0.36 -2.21 0.00 0.00 174.62 172.30 1qfg s PHE 723 N 1.43 3.12 -0.28 9.09 0.08 0.23 -1.89 117.98 129.75 1qfg s PHE 723 Ca 0.03 -0.01 -0.03 0.00 0.12 0.00 0.00 56.93 57.04 1qfg s PHE 723 Cb -0.14 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1qfg s PHE 723 CO -0.10 0.23 -0.00 1.03 -0.10 0.00 0.00 175.22 176.28 1qfg s ARG 724 N -0.21 2.74 0.00 0.44 0.52 -1.26 -0.78 118.95 120.40 1qfg s ARG 724 Ca 0.05 -1.06 0.32 0.00 -0.52 0.00 0.00 55.73 54.52 1qfg s ARG 724 Cb -0.13 -3.16 1.90 0.00 0.52 0.00 0.00 34.95 34.09 1qfg s ARG 724 CO 0.02 -0.50 2.22 1.19 0.02 0.00 0.00 175.30 178.26