#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fuj s VAL 17 N 0.00 4.80 -0.92 1.39 1.01 0.28 -4.05 120.40 122.91 1fuj s VAL 17 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1fuj s VAL 17 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1fuj s VAL 17 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1fuj n GLY 18 N 0.72 0.90 0.00 4.51 0.00 -1.26 -1.74 105.19 108.33 1fuj n GLY 18 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1fuj n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fuj n GLY 19 N -0.21 0.34 3.24 -0.02 0.00 -1.26 -4.91 105.19 102.37 1fuj n GLY 19 Ca -0.09 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 1fuj n GLY 19 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1fuj s HIS 20 N 0.46 0.70 0.23 1.61 -3.43 0.12 -4.92 115.29 110.07 1fuj s HIS 20 Ca 0.00 -1.06 -0.30 0.00 -0.80 0.00 0.00 55.06 52.91 1fuj s HIS 20 Cb 0.00 -0.31 -0.09 0.00 -1.43 0.00 0.00 32.58 30.76 1fuj s HIS 20 CO 0.00 -0.63 1.04 -2.00 -2.00 0.00 0.00 174.74 171.15 1fuj s GLU 21 N -4.03 4.71 0.68 -0.38 2.12 -1.26 0.18 118.70 120.72 1fuj s GLU 21 Ca 0.23 1.66 -0.11 0.00 0.36 0.00 0.00 54.97 57.11 1fuj s GLU 21 Cb 0.06 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1fuj s GLU 21 CO 0.03 0.28 1.06 0.00 -0.54 0.00 0.00 175.26 176.09 1fuj s ALA 22 N -0.88 2.79 0.22 6.30 0.00 -0.72 -4.76 121.76 124.71 1fuj s ALA 22 Ca 0.45 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 1fuj s ALA 22 Cb -0.29 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 1fuj s ALA 22 CO 0.36 -1.10 1.00 -0.65 0.00 0.00 0.00 175.76 175.37 1fuj s GLN 23 N -5.13 4.75 0.00 0.00 -1.52 -1.26 -4.88 119.66 111.62 1fuj s GLN 23 Ca 0.57 1.58 -0.37 0.00 -1.95 0.00 0.00 55.36 55.20 1fuj s GLN 23 Cb -0.13 -3.28 -0.16 0.00 -0.22 0.00 0.00 33.01 29.22 1fuj s GLN 23 CO 0.54 0.34 1.46 -2.30 -0.25 0.00 0.00 175.29 175.08 1fuj n PRO 24 N 1.78 1.25 -1.04 2.91 -0.02 -1.26 -1.60 135.00 137.02 1fuj n PRO 24 Ca -0.00 0.45 -0.01 0.00 -2.02 0.00 0.00 63.50 61.92 1fuj n PRO 24 Cb 0.47 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.82 1fuj n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1fuj n HIS 25 N 3.35 0.00 1.68 6.00 8.25 -1.26 -4.80 115.22 128.44 1fuj n HIS 25 Ca 0.20 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.74 1fuj n HIS 25 Cb 0.19 -1.90 0.44 0.00 1.12 0.00 0.00 29.99 29.84 1fuj n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1fuj n SER 26 N -0.91 0.00 -2.93 0.41 3.41 -0.63 -3.20 113.62 109.77 1fuj n SER 26 Ca -0.01 -1.22 -0.13 0.00 -0.26 0.00 0.00 58.87 57.25 1fuj n SER 26 Cb 0.46 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1fuj n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fuj n ARG 27 N -0.78 1.05 0.00 4.33 3.00 -1.26 -4.98 116.66 118.01 1fuj n ARG 27 Ca 0.11 -2.96 0.00 0.00 -0.01 0.00 0.00 57.85 55.00 1fuj n ARG 27 Cb 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 32.46 31.20 1fuj n ARG 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1fuj n PRO 28 N 0.12 0.00 -0.04 5.56 -0.04 -1.20 -0.97 135.00 138.43 1fuj n PRO 28 Ca 0.15 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.71 1fuj n PRO 28 Cb 0.73 -1.46 0.11 0.00 -0.04 0.00 0.00 33.50 32.84 1fuj n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1fuj n TYR 29 N -0.86 0.11 -2.22 0.54 0.18 -1.24 -1.74 117.16 111.93 1fuj n TYR 29 Ca 0.00 -0.07 -0.43 0.00 1.88 0.00 0.00 57.90 59.29 1fuj n TYR 29 Cb 0.00 -0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 38.93 1fuj n TYR 29 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1fuj s MET 30 N -1.61 4.04 -0.06 -3.48 -1.94 -0.15 -0.42 119.30 115.68 1fuj s MET 30 Ca 0.26 1.74 -0.02 0.00 -1.71 0.00 0.00 55.69 55.96 1fuj s MET 30 Cb 0.18 -3.92 -0.04 0.00 2.01 0.00 0.00 34.83 33.06 1fuj s MET 30 CO 0.26 -0.99 0.06 0.00 -0.01 0.00 0.00 175.02 174.34 1fuj s ALA 31 N 4.29 3.51 -0.20 3.03 0.00 0.20 -4.39 121.76 128.20 1fuj s ALA 31 Ca 0.65 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 1fuj s ALA 31 Cb -0.25 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 1fuj s ALA 31 CO 0.24 0.63 -0.06 0.45 0.00 0.00 0.00 175.76 177.02 1fuj s SER 32 N -1.24 4.22 -0.22 0.00 0.15 0.22 -0.24 113.70 116.58 1fuj s SER 32 Ca 0.17 -0.39 -0.14 0.00 0.70 0.00 0.00 55.95 56.29 1fuj s SER 32 Cb -0.12 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1fuj s SER 32 CO 0.07 0.01 0.34 -0.76 1.20 0.00 0.00 173.24 174.10 1fuj s LEU 33 N 1.27 4.12 0.36 3.45 1.02 0.65 0.14 118.68 129.70 1fuj s LEU 33 Ca 0.03 0.38 0.04 0.00 0.02 0.00 0.00 54.13 54.60 1fuj s LEU 33 Cb -0.14 -2.40 -0.03 0.00 0.02 0.00 0.00 46.19 43.64 1fuj s LEU 33 CO -0.03 -0.06 0.17 -1.10 0.02 0.00 0.00 176.35 175.35 1fuj s GLN 34 N 1.39 1.80 -0.17 1.70 -0.21 -0.13 0.36 119.66 124.41 1fuj s GLN 34 Ca 0.15 -2.07 -0.19 0.00 0.02 0.00 0.00 55.36 53.28 1fuj s GLN 34 Cb -0.15 -0.29 -0.03 0.00 1.00 0.00 0.00 33.01 33.54 1fuj s GLN 34 CO 0.07 -0.50 0.52 1.41 -2.12 0.00 0.00 175.29 174.68 1fuj s MET 35 N -3.69 4.25 0.41 2.91 1.75 -1.22 0.12 119.30 123.83 1fuj s MET 35 Ca 0.31 0.46 -0.27 0.00 -1.25 0.00 0.00 55.69 54.94 1fuj s MET 35 Cb 0.03 -3.52 -0.10 0.00 2.84 0.00 0.00 34.83 34.08 1fuj s MET 35 CO 0.18 -0.05 1.43 -2.13 -0.65 0.00 0.00 175.02 173.80 1fuj n ARG 36 N 4.41 2.41 0.00 4.11 0.63 0.82 -2.17 116.66 126.87 1fuj n ARG 36 Ca -0.05 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 1fuj n ARG 36 Cb 0.51 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.81 1fuj n ARG 36 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fuj n GLY 38 N 0.55 2.77 3.14 5.14 0.00 -1.26 -4.88 105.19 110.64 1fuj n GLY 38 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1fuj n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fuj s ASN 38 N -0.35 5.55 0.45 1.61 3.84 -0.92 -5.07 114.94 120.05 1fuj s ASN 38 Ca 0.00 -2.92 -0.25 0.00 0.21 0.00 0.00 52.86 49.90 1fuj s ASN 38 Cb 0.00 -1.92 -0.08 0.00 -0.55 0.00 0.00 41.25 38.70 1fuj s ASN 38 CO 0.00 -0.38 1.32 -2.16 -2.79 0.00 0.00 177.10 173.09 1fuj s PRO 38 N -0.17 3.74 0.00 0.43 0.04 -1.26 -2.64 135.00 135.14 1fuj s PRO 38 Ca 0.18 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1fuj s PRO 38 Cb -0.17 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1fuj s PRO 38 CO -0.05 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.71 1fuj n GLY 38 N 0.63 2.29 2.04 0.56 0.00 -1.26 -4.91 105.19 104.56 1fuj n GLY 38 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1fuj n GLY 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fuj n SER 39 N 0.00 1.89 -4.69 1.61 3.41 -1.08 -4.73 113.62 110.03 1fuj n SER 39 Ca 0.00 -1.66 -0.44 0.00 -0.26 0.00 0.00 58.87 56.51 1fuj n SER 39 Cb 0.00 -0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 63.46 1fuj n SER 39 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1fuj n HIS 40 N 2.27 2.47 0.00 7.33 -0.00 -1.26 -3.44 115.22 122.58 1fuj n HIS 40 Ca 0.07 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.41 1fuj n HIS 40 Cb 0.24 -2.60 0.00 0.00 -0.12 0.00 0.00 29.99 27.51 1fuj n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1fuj n PHE 41 N 3.76 0.00 -3.52 1.57 1.16 0.16 -4.96 117.46 115.62 1fuj n PHE 41 Ca 0.17 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.63 1fuj n PHE 41 Cb 0.31 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.15 1fuj n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fuj s GLY 43 N -2.62 1.92 0.30 0.00 0.00 0.69 -0.26 107.32 107.36 1fuj s GLY 43 Ca 0.00 -1.61 -0.12 0.00 0.00 0.00 0.00 44.72 43.00 1fuj s GLY 43 CO -0.10 -1.39 0.57 -0.32 0.00 0.00 0.00 173.10 171.85 1fuj s GLY 44 N -4.38 0.65 -0.06 0.20 0.00 0.67 -3.67 107.32 100.73 1fuj s GLY 44 Ca 0.56 -0.93 -0.03 0.00 0.00 0.00 0.00 44.72 44.32 1fuj s GLY 44 CO 0.34 -0.58 0.12 -1.59 0.00 0.00 0.00 173.10 171.39 1fuj s THR 45 N -3.43 -0.17 -0.24 0.90 2.01 -0.65 -0.63 115.64 113.42 1fuj s THR 45 Ca 0.21 0.34 -0.29 0.00 0.31 0.00 0.00 61.69 62.27 1fuj s THR 45 Cb -0.02 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 1fuj s THR 45 CO 0.12 0.14 1.40 -0.22 -0.69 0.00 0.00 174.62 175.37 1fuj s LEU 46 N 2.02 3.96 0.00 4.42 2.96 0.44 -0.10 118.68 132.38 1fuj s LEU 46 Ca 0.01 1.46 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 1fuj s LEU 46 Cb -0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1fuj s LEU 46 CO -0.05 -1.06 0.63 2.30 -1.32 0.00 0.00 176.35 176.85 1fuj n ILE 47 N 6.07 0.27 -3.57 6.68 -5.35 -0.95 -2.52 119.36 120.00 1fuj n ILE 47 Ca 0.16 -0.63 -0.07 0.00 -0.27 0.00 0.00 62.75 61.95 1fuj n ILE 47 Cb 0.46 0.88 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 1fuj n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1fuj s HIS 48 N -0.27 -0.23 0.25 4.28 5.04 -1.22 -4.58 115.29 118.56 1fuj s HIS 48 Ca 0.00 0.24 -0.03 0.00 -1.54 0.00 0.00 55.06 53.73 1fuj s HIS 48 Cb 0.00 0.50 0.47 0.00 0.04 0.00 0.00 32.58 33.60 1fuj s HIS 48 CO 0.00 -0.31 1.78 -1.35 -2.34 0.00 0.00 174.74 172.52 1fuj h PRO 49 N 2.13 0.66 -0.38 2.88 0.11 -1.95 -2.77 132.00 132.69 1fuj h PRO 49 Ca -0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1fuj h PRO 49 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1fuj h PRO 49 CO 0.27 0.44 0.00 0.43 -0.21 0.00 0.00 178.00 178.92 1fuj n SER 50 N -4.83 4.05 -3.85 -2.05 7.64 -1.26 -1.21 113.62 112.11 1fuj n SER 50 Ca 0.15 -2.71 -0.19 0.00 1.01 0.00 0.00 58.87 57.13 1fuj n SER 50 Cb 0.37 -0.50 -0.16 0.00 -1.01 0.00 0.00 64.21 62.90 1fuj n SER 50 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1fuj s PHE 51 N -2.29 0.57 -0.10 1.43 0.08 -1.05 -0.59 117.98 116.04 1fuj s PHE 51 Ca 0.41 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 57.36 1fuj s PHE 51 Cb 0.30 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 42.16 1fuj s PHE 51 CO 0.14 -0.18 -0.15 0.08 -0.10 0.00 0.00 175.22 175.01 1fuj s VAL 52 N 1.05 2.95 -0.18 -0.44 1.01 -0.06 -2.24 120.40 122.49 1fuj s VAL 52 Ca -0.09 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1fuj s VAL 52 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1fuj s VAL 52 CO -0.01 0.55 0.08 -0.22 0.00 0.00 0.00 175.10 175.50 1fuj s LEU 53 N -0.05 3.95 0.00 3.92 2.96 0.86 -0.33 118.68 129.99 1fuj s LEU 53 Ca -0.03 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1fuj s LEU 53 Cb -0.14 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1fuj s LEU 53 CO 0.04 0.19 0.30 1.07 -1.32 0.00 0.00 176.35 176.63 1fuj n THR 54 N 3.43 0.00 -3.20 3.68 5.66 0.73 -1.64 114.28 122.94 1fuj n THR 54 Ca -0.17 -0.94 -0.39 0.00 -3.05 0.00 0.00 64.05 59.51 1fuj n THR 54 Cb 0.52 0.61 -0.06 0.00 -1.55 0.00 0.00 70.33 69.86 1fuj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fuj s ALA 55 N -2.15 3.49 0.62 1.79 0.00 -1.26 0.17 121.76 124.42 1fuj s ALA 55 Ca 0.15 0.05 0.32 0.00 0.00 0.00 0.00 51.96 52.48 1fuj s ALA 55 Cb -0.01 -2.75 1.82 0.00 0.00 0.00 0.00 23.12 22.18 1fuj s ALA 55 CO 0.11 0.19 2.13 0.00 0.00 0.00 0.00 175.76 178.19 1fuj h ALA 56 N 5.49 1.56 0.00 0.00 0.00 -1.72 -1.84 119.26 122.75 1fuj h ALA 56 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1fuj h ALA 56 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1fuj h ALA 56 CO 0.69 -0.23 -0.11 1.12 0.00 0.00 0.00 179.25 180.71 1fuj h HIS 57 N 0.00 0.00 -0.10 0.00 2.07 -1.93 -3.23 115.15 111.96 1fuj h HIS 57 Ca 0.05 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.50 1fuj h HIS 57 Cb 0.40 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.37 1fuj h HIS 57 CO 0.00 0.00 -0.29 0.00 -3.07 0.00 0.00 177.93 174.57 1fuj n LEU 59 N -4.15 4.00 0.18 0.00 4.32 -1.22 -4.73 117.00 115.41 1fuj n LEU 59 Ca -0.01 -3.47 -0.07 0.00 -0.02 0.00 0.00 56.01 52.44 1fuj n LEU 59 Cb 0.37 -0.60 -0.03 0.00 -1.62 0.00 0.00 43.42 41.54 1fuj n LEU 59 CO 0.39 1.02 0.39 0.03 -1.22 0.00 0.00 177.39 178.00 1fuj h ARG 60 N 1.23 -0.45 0.00 3.23 2.47 -1.59 -3.40 114.38 115.86 1fuj h ARG 60 Ca 0.14 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1fuj h ARG 60 Cb 1.57 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 30.00 1fuj h ARG 60 CO 0.32 -0.30 0.00 -0.25 0.56 0.00 0.00 179.97 180.30 1fuj n ASP 61 N -3.58 0.00 -4.59 7.04 9.92 -1.26 -4.87 116.55 119.21 1fuj n ASP 61 Ca -0.06 0.47 -0.62 0.00 -0.53 0.00 0.00 54.79 54.06 1fuj n ASP 61 Cb 0.19 -0.26 -0.09 0.00 -0.64 0.00 0.00 41.12 40.33 1fuj n ASP 61 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1fuj n ILE 62 N -1.27 0.01 -2.50 0.53 -6.64 -1.26 -4.96 119.36 103.27 1fuj n ILE 62 Ca 0.00 -0.00 -0.34 0.00 -1.77 0.00 0.00 62.75 60.64 1fuj n ILE 62 Cb 0.00 -0.22 -0.03 0.00 -1.44 0.00 0.00 39.64 37.95 1fuj n ILE 62 CO 0.00 0.00 0.00 -2.84 -1.77 0.00 0.00 176.55 171.94 1fuj s PRO 63 N 1.07 3.75 0.34 6.28 0.02 -1.26 -4.81 135.00 140.39 1fuj s PRO 63 Ca 0.95 1.37 0.02 0.00 0.02 0.00 0.00 61.00 63.36 1fuj s PRO 63 Cb -1.33 -2.09 0.62 0.00 0.02 0.00 0.00 34.50 31.72 1fuj s PRO 63 CO 0.65 -0.47 1.99 1.96 -0.33 0.00 0.00 177.00 180.80 1fuj h GLN 63 N 1.48 0.87 -0.91 5.54 4.20 -1.92 -2.84 115.11 121.52 1fuj h GLN 63 Ca -0.49 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.24 1fuj h GLN 63 Cb 1.22 -0.20 -0.07 0.00 0.30 0.00 0.00 27.48 28.74 1fuj h GLN 63 CO 0.59 0.57 0.57 0.00 -0.67 0.00 0.00 178.83 179.89 1fuj h ARG 63 N 0.89 0.98 -0.01 1.46 3.08 -1.92 -2.71 114.38 116.17 1fuj h ARG 63 Ca 0.26 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1fuj h ARG 63 Cb -0.04 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.78 1fuj h ARG 63 CO -0.06 0.65 -0.02 1.28 -1.07 0.00 0.00 179.97 180.75 1fuj n LEU 63 N -4.60 0.61 -4.79 3.04 4.32 -1.07 -4.84 117.00 109.67 1fuj n LEU 63 Ca 0.14 -0.18 -0.39 0.00 -0.02 0.00 0.00 56.01 55.57 1fuj n LEU 63 Cb 0.21 -0.03 -0.06 0.00 -1.62 0.00 0.00 43.42 41.92 1fuj n LEU 63 CO 0.30 0.10 0.39 -0.69 -1.22 0.00 0.00 177.39 176.27 1fuj s VAL 64 N -2.08 4.54 -0.19 4.08 1.01 -1.02 0.29 120.40 127.03 1fuj s VAL 64 Ca 0.41 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.85 1fuj s VAL 64 Cb 0.21 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.63 1fuj s VAL 64 CO 0.37 0.51 -0.06 0.21 0.00 0.00 0.00 175.10 176.13 1fuj s ASN 65 N -1.17 3.27 -0.48 3.32 3.04 0.33 -4.30 114.94 118.95 1fuj s ASN 65 Ca 0.33 -0.87 -0.27 0.00 0.04 0.00 0.00 52.86 52.10 1fuj s ASN 65 Cb -0.21 -1.06 0.03 0.00 -1.54 0.00 0.00 41.25 38.47 1fuj s ASN 65 CO 0.23 -0.19 1.01 -0.69 -3.04 0.00 0.00 177.10 174.41 1fuj s VAL 66 N 1.51 4.35 -0.32 -5.21 1.01 0.12 -0.95 120.40 120.92 1fuj s VAL 66 Ca -0.02 0.86 -0.15 0.00 0.00 0.00 0.00 61.98 62.67 1fuj s VAL 66 Cb -0.17 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.68 1fuj s VAL 66 CO -0.07 -0.95 0.37 -0.69 0.00 0.00 0.00 175.10 173.76 1fuj s VAL 67 N 4.07 5.16 0.29 2.92 1.01 0.12 -1.21 120.40 132.76 1fuj s VAL 67 Ca 0.40 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.70 1fuj s VAL 67 Cb -0.09 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1fuj s VAL 67 CO 0.27 -0.01 0.27 -0.76 0.00 0.00 0.00 175.10 174.88 1fuj s LEU 68 N 2.06 3.78 -0.46 3.92 1.43 0.24 -0.61 118.68 129.05 1fuj s LEU 68 Ca 0.13 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1fuj s LEU 68 Cb -0.16 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1fuj s LEU 68 CO 0.11 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1fuj n GLY 69 N -1.32 0.62 3.92 -3.19 0.00 -1.25 -0.67 105.19 103.30 1fuj n GLY 69 Ca -0.05 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1fuj n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fuj s ALA 70 N -1.83 3.15 0.24 4.61 0.00 -1.26 -3.52 121.76 123.16 1fuj s ALA 70 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1fuj s ALA 70 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1fuj s ALA 70 CO 0.00 -1.12 0.00 1.58 0.00 0.00 0.00 175.76 176.22 1fuj n HIS 71 N -2.83 -2.20 -3.39 0.00 -0.00 -1.26 -4.66 115.22 100.88 1fuj n HIS 71 Ca 0.07 0.41 -0.44 0.00 0.46 0.00 0.00 57.72 58.21 1fuj n HIS 71 Cb 0.59 0.67 -0.06 0.00 -0.12 0.00 0.00 29.99 31.07 1fuj n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1fuj s ASN 72 N -4.91 6.05 0.58 0.26 3.84 -1.25 -1.72 114.94 117.80 1fuj s ASN 72 Ca 0.00 -1.88 0.38 0.00 0.21 0.00 0.00 52.86 51.57 1fuj s ASN 72 Cb 0.00 -2.14 1.86 0.00 -0.55 0.00 0.00 41.25 40.42 1fuj s ASN 72 CO 0.00 -0.79 2.15 -0.37 -2.79 0.00 0.00 177.10 175.30 1fuj h VAL 73 N 5.91 0.00 -0.18 -5.21 -1.51 -1.63 -2.87 116.25 110.76 1fuj h VAL 73 Ca -0.25 -0.23 -0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1fuj h VAL 73 Cb 1.09 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 31.44 1fuj h VAL 73 CO 0.97 0.00 0.01 0.54 -1.23 0.00 0.00 177.57 177.85 1fuj n ARG 74 N -3.01 2.22 -3.86 5.19 5.12 -1.26 -3.99 116.66 117.07 1fuj n ARG 74 Ca -0.01 -0.99 -0.09 0.00 -1.93 0.00 0.00 57.85 54.82 1fuj n ARG 74 Cb 0.18 -1.73 -0.08 0.00 -1.16 0.00 0.00 32.46 29.67 1fuj n ARG 74 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1fuj s THR 75 N -1.54 0.14 0.07 0.55 -4.23 -1.08 -4.93 115.64 104.61 1fuj s THR 75 Ca 0.17 -1.14 -0.29 0.00 -1.18 0.00 0.00 61.69 59.25 1fuj s THR 75 Cb 0.13 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.66 1fuj s THR 75 CO 0.05 -0.63 0.91 -1.10 -0.54 0.00 0.00 174.62 173.31 1fuj s GLN 76 N -3.61 4.62 -0.02 3.99 -0.21 -1.26 -4.94 119.66 118.23 1fuj s GLN 76 Ca 0.03 1.34 0.01 0.00 0.02 0.00 0.00 55.36 56.76 1fuj s GLN 76 Cb 0.04 -3.39 0.01 0.00 1.00 0.00 0.00 33.01 30.67 1fuj s GLN 76 CO -0.10 0.19 -0.03 -1.21 -2.12 0.00 0.00 175.29 172.03 1fuj s GLU 77 N 0.15 0.43 0.56 2.91 2.02 -1.26 -5.01 118.70 118.49 1fuj s GLU 77 Ca 0.45 -0.06 0.27 0.00 0.02 0.00 0.00 54.97 55.66 1fuj s GLU 77 Cb -0.22 -0.49 1.48 0.00 0.10 0.00 0.00 34.13 35.00 1fuj s GLU 77 CO 0.28 -0.03 1.98 -1.00 0.02 0.00 0.00 175.26 176.51 1fuj h PRO 78 N 6.73 0.00 -0.01 0.39 0.13 -1.95 -1.78 132.00 135.52 1fuj h PRO 78 Ca -0.36 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.64 1fuj h PRO 78 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1fuj h PRO 78 CO 0.49 0.00 -0.61 1.79 -0.23 0.00 0.00 178.00 179.43 1fuj h THR 79 N 0.00 1.44 -3.98 1.56 1.35 -1.95 -3.46 112.91 107.87 1fuj h THR 79 Ca 0.21 -2.10 -0.53 0.00 -0.55 0.00 0.00 66.41 63.45 1fuj h THR 79 Cb 0.99 2.13 0.09 0.00 -1.73 0.00 0.00 68.15 69.63 1fuj h THR 79 CO -0.00 0.60 0.59 -1.10 -0.25 0.00 0.00 175.52 175.36 1fuj s GLN 80 N -3.63 3.74 -0.05 4.72 -0.21 -0.67 -4.38 119.66 119.18 1fuj s GLN 80 Ca -0.02 2.11 0.00 0.00 0.02 0.00 0.00 55.36 57.47 1fuj s GLN 80 Cb 0.13 -2.58 0.02 0.00 1.00 0.00 0.00 33.01 31.58 1fuj s GLN 80 CO 0.77 -0.66 -0.03 -0.65 -2.12 0.00 0.00 175.29 172.59 1fuj s GLN 81 N -2.48 0.79 -0.07 2.91 -0.21 0.16 -4.96 119.66 115.80 1fuj s GLN 81 Ca 0.61 -0.05 -0.03 0.00 0.02 0.00 0.00 55.36 55.91 1fuj s GLN 81 Cb -0.37 -0.90 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 1fuj s GLN 81 CO 0.46 -0.15 0.07 -1.01 -2.12 0.00 0.00 175.29 172.54 1fuj s HIS 82 N 1.24 3.32 0.09 0.91 3.76 -1.26 -0.59 115.29 122.77 1fuj s HIS 82 Ca -0.06 0.29 0.01 0.00 -0.15 0.00 0.00 55.06 55.16 1fuj s HIS 82 Cb -0.14 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.69 1fuj s HIS 82 CO -0.02 0.57 -0.05 -0.06 -0.85 0.00 0.00 174.74 174.34 1fuj s PHE 83 N -1.02 0.83 0.35 1.40 0.40 -0.35 -4.98 117.98 114.62 1fuj s PHE 83 Ca 0.17 -0.97 0.08 0.00 -0.60 0.00 0.00 56.93 55.61 1fuj s PHE 83 Cb -0.12 -0.50 -0.05 0.00 0.51 0.00 0.00 43.02 42.86 1fuj s PHE 83 CO 0.06 -0.22 0.07 -1.54 0.70 0.00 0.00 175.22 174.30 1fuj s SER 84 N -3.03 4.35 -0.45 1.36 1.04 -1.26 -0.70 113.70 115.01 1fuj s SER 84 Ca 0.12 -0.96 -0.24 0.00 0.48 0.00 0.00 55.95 55.36 1fuj s SER 84 Cb 0.06 -0.57 0.02 0.00 0.10 0.00 0.00 66.02 65.63 1fuj s SER 84 CO -0.05 -0.31 0.84 -0.69 0.98 0.00 0.00 173.24 174.01 1fuj s VAL 85 N -2.51 4.59 -0.08 5.02 1.01 -1.26 -1.99 120.40 125.18 1fuj s VAL 85 Ca 0.37 0.58 -0.14 0.00 0.00 0.00 0.00 61.98 62.79 1fuj s VAL 85 Cb 0.00 -4.35 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 1fuj s VAL 85 CO 0.21 -0.74 0.52 0.00 0.00 0.00 0.00 175.10 175.09 1fuj h ALA 86 N 8.97 -0.19 -2.56 5.51 0.00 -1.23 -3.46 119.26 126.30 1fuj h ALA 86 Ca -0.24 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1fuj h ALA 86 Cb 1.08 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 1fuj h ALA 86 CO 0.98 -0.20 -0.29 -1.14 0.00 0.00 0.00 179.25 178.60 1fuj s GLN 87 N -2.61 0.78 0.02 0.00 0.74 -0.98 -4.98 119.66 112.61 1fuj s GLN 87 Ca -0.08 -0.54 0.05 0.00 0.05 0.00 0.00 55.36 54.83 1fuj s GLN 87 Cb -0.00 0.33 -0.02 0.00 1.10 0.00 0.00 33.01 34.42 1fuj s GLN 87 CO 0.30 -0.24 -0.14 0.14 -0.55 0.00 0.00 175.29 174.80 1fuj s VAL 88 N -2.55 1.09 -0.04 1.34 -7.23 -1.26 0.16 120.40 111.91 1fuj s VAL 88 Ca -0.05 -0.81 0.07 0.00 -1.81 0.00 0.00 61.98 59.38 1fuj s VAL 88 Cb -0.01 -0.95 -0.02 0.00 0.56 0.00 0.00 36.38 35.96 1fuj s VAL 88 CO -0.03 0.13 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.30 1fuj s PHE 89 N -0.61 2.44 -0.02 2.82 0.40 0.40 -4.92 117.98 118.48 1fuj s PHE 89 Ca 0.03 -0.43 0.08 0.00 -0.60 0.00 0.00 56.93 56.00 1fuj s PHE 89 Cb -0.07 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 1fuj s PHE 89 CO 0.00 -0.03 -0.25 -0.51 0.70 0.00 0.00 175.22 175.13 1fuj s LEU 90 N -0.53 2.05 -0.78 -0.37 1.02 -1.26 0.53 118.68 119.33 1fuj s LEU 90 Ca 0.07 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.78 1fuj s LEU 90 Cb -0.11 -1.32 0.20 0.00 0.02 0.00 0.00 46.19 44.99 1fuj s LEU 90 CO 0.00 0.30 0.67 -3.20 0.02 0.00 0.00 176.35 174.15 1fuj n ASN 92 N 2.52 3.69 -3.82 2.29 4.05 -1.26 -4.91 115.26 117.82 1fuj n ASN 92 Ca -0.16 -3.23 -0.31 0.00 0.45 0.00 0.00 54.58 51.33 1fuj n ASN 92 Cb 0.51 -0.87 0.01 0.00 1.23 0.00 0.00 39.78 40.67 1fuj n ASN 92 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1fuj n ASN 93 N 1.88 -4.90 -4.71 1.20 4.13 -1.26 -4.80 115.26 106.80 1fuj n ASN 93 Ca 0.22 -1.02 -0.42 0.00 1.68 0.00 0.00 54.58 55.04 1fuj n ASN 93 Cb 0.36 -2.14 -0.03 0.00 -1.54 0.00 0.00 39.78 36.43 1fuj n ASN 93 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1fuj s TYR 94 N -3.22 3.21 -0.38 3.10 5.04 -1.26 -4.65 117.35 119.19 1fuj s TYR 94 Ca 0.22 1.02 0.01 0.00 -2.44 0.00 0.00 57.07 55.87 1fuj s TYR 94 Cb -0.11 -3.61 0.11 0.00 0.35 0.00 0.00 41.96 38.70 1fuj s TYR 94 CO 0.91 -2.10 0.13 0.34 -1.34 0.00 0.00 175.55 173.48 1fuj s ASP 95 N 1.27 4.99 0.45 4.32 -1.08 -0.47 -4.96 116.67 121.19 1fuj s ASP 95 Ca 0.63 -2.12 0.25 0.00 -0.52 0.00 0.00 52.55 50.79 1fuj s ASP 95 Cb -0.34 -1.72 0.87 0.00 -1.46 0.00 0.00 42.92 40.27 1fuj s ASP 95 CO 0.29 -0.45 1.80 0.00 0.52 0.00 0.00 175.17 177.33 1fuj h ALA 96 N 7.79 0.98 0.15 3.66 0.00 -1.94 0.35 119.26 130.25 1fuj h ALA 96 Ca -0.08 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 1fuj h ALA 96 Cb 1.03 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.82 1fuj h ALA 96 CO 0.61 0.21 -1.29 1.05 0.00 0.00 0.00 179.25 179.82 1fuj h GLU 97 N 0.00 0.51 -0.01 0.00 4.11 -1.96 -3.31 114.58 113.92 1fuj h GLU 97 Ca -0.00 -0.75 0.00 0.00 0.07 0.00 0.00 59.36 58.67 1fuj h GLU 97 Cb 0.79 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1fuj h GLU 97 CO 0.02 1.34 -0.39 0.09 0.07 0.00 0.00 179.01 180.15 1fuj n ASN 98 N -3.71 1.02 -3.20 3.06 3.02 -1.21 -4.95 115.26 109.29 1fuj n ASN 98 Ca -0.13 -0.82 -0.19 0.00 -0.03 0.00 0.00 54.58 53.40 1fuj n ASN 98 Cb 1.02 0.26 0.07 0.00 -0.61 0.00 0.00 39.78 40.52 1fuj n ASN 98 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1fuj n LYS 99 N -0.82 -6.70 -4.09 3.52 5.02 0.10 -5.00 118.16 110.20 1fuj n LYS 99 Ca 0.10 0.74 -0.31 0.00 -2.02 0.00 0.00 58.31 56.82 1fuj n LYS 99 Cb 0.36 -5.48 -0.07 0.00 -0.02 0.00 0.00 35.03 29.82 1fuj n LYS 99 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fuj s LEU 100 N -6.35 3.71 -1.46 -0.35 1.43 -0.10 -4.63 118.68 110.93 1fuj s LEU 100 Ca 0.37 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.35 1fuj s LEU 100 Cb -0.16 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 43.72 1fuj s LEU 100 CO 0.64 0.19 0.77 0.59 0.23 0.00 0.00 176.35 178.77 1fuj n ASN 101 N 0.59 -5.39 -4.04 2.29 3.02 -1.26 -1.37 115.26 109.10 1fuj n ASN 101 Ca -0.10 -0.46 -0.37 0.00 -0.03 0.00 0.00 54.58 53.62 1fuj n ASN 101 Cb 0.52 -4.33 -0.06 0.00 -0.61 0.00 0.00 39.78 35.30 1fuj n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1fuj n ASP 102 N -2.63 2.81 -3.84 6.41 2.03 -1.26 -4.42 116.55 115.65 1fuj n ASP 102 Ca -0.04 -2.69 -0.12 0.00 0.52 0.00 0.00 54.79 52.46 1fuj n ASP 102 Cb 0.57 -1.39 -0.12 0.00 -0.72 0.00 0.00 41.12 39.46 1fuj n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1fuj s ILE 103 N 7.49 0.02 -0.10 5.18 2.07 -1.26 -4.15 121.20 130.45 1fuj s ILE 103 Ca 0.62 -0.16 -0.11 0.00 -1.41 0.00 0.00 60.65 59.59 1fuj s ILE 103 Cb 0.08 -0.24 0.03 0.00 0.13 0.00 0.00 42.46 42.46 1fuj s ILE 103 CO 0.13 -0.09 0.30 -0.22 -1.91 0.00 0.00 174.94 173.15 1fuj s LEU 104 N -0.25 0.86 -0.24 8.50 0.20 0.45 -3.99 118.68 124.22 1fuj s LEU 104 Ca -0.03 0.55 -0.09 0.00 0.69 0.00 0.00 54.13 55.25 1fuj s LEU 104 Cb -0.02 1.05 -0.04 0.00 -0.43 0.00 0.00 46.19 46.74 1fuj s LEU 104 CO 0.00 -0.14 0.12 -0.76 -0.29 0.00 0.00 176.35 175.28 1fuj s LEU 105 N 0.01 3.80 -0.25 -0.68 1.43 0.19 -0.19 118.68 122.98 1fuj s LEU 105 Ca -0.01 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1fuj s LEU 105 Cb -0.02 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1fuj s LEU 105 CO 0.01 0.02 0.07 -0.63 0.23 0.00 0.00 176.35 176.05 1fuj s ILE 106 N 1.30 4.27 -0.29 -0.59 1.01 0.55 0.15 121.20 127.60 1fuj s ILE 106 Ca 0.06 -0.21 -0.20 0.00 0.00 0.00 0.00 60.65 60.30 1fuj s ILE 106 Cb -0.15 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1fuj s ILE 106 CO 0.05 0.33 0.63 -1.58 0.00 0.00 0.00 174.94 174.37 1fuj s GLN 107 N 1.61 3.97 0.68 2.79 0.74 0.42 -0.88 119.66 128.99 1fuj s GLN 107 Ca 0.06 0.39 -0.16 0.00 0.05 0.00 0.00 55.36 55.70 1fuj s GLN 107 Cb -0.15 -3.70 0.01 0.00 1.10 0.00 0.00 33.01 30.27 1fuj s GLN 107 CO 0.03 -0.52 1.18 -0.51 -0.55 0.00 0.00 175.29 174.92 1fuj s LEU 108 N 2.58 3.41 0.00 3.68 1.43 0.25 -0.88 118.68 129.16 1fuj s LEU 108 Ca 0.26 2.26 0.17 0.00 -1.03 0.00 0.00 54.13 55.79 1fuj s LEU 108 Cb -0.15 -4.58 0.81 0.00 0.03 0.00 0.00 46.19 42.30 1fuj s LEU 108 CO 0.11 -1.94 1.54 -1.54 0.23 0.00 0.00 176.35 174.74 1fuj n SER 109 N -2.39 0.00 -3.61 2.29 3.41 -0.84 -4.48 113.62 107.99 1fuj n SER 109 Ca 0.13 0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.89 1fuj n SER 109 Cb 0.51 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 1fuj n SER 109 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1fuj s SER 110 N -2.79 -0.52 0.22 4.04 1.04 -1.26 -5.00 113.70 109.43 1fuj s SER 110 Ca 0.12 0.86 -0.30 0.00 0.48 0.00 0.00 55.95 57.11 1fuj s SER 110 Cb 0.12 0.83 -0.10 0.00 0.10 0.00 0.00 66.02 66.96 1fuj s SER 110 CO 0.29 -0.27 1.45 -2.84 0.98 0.00 0.00 173.24 172.85 1fuj s PRO 111 N -0.21 4.27 0.90 4.02 0.02 -1.26 -4.80 135.00 137.94 1fuj s PRO 111 Ca -0.00 2.27 -0.11 0.00 0.02 0.00 0.00 61.00 63.18 1fuj s PRO 111 Cb -0.03 -3.14 0.13 0.00 0.02 0.00 0.00 34.50 31.48 1fuj s PRO 111 CO -0.01 -0.44 1.10 0.00 -0.33 0.00 0.00 177.00 177.31 1fuj s ALA 112 N 0.33 1.46 -0.42 -1.55 0.00 -0.35 -4.95 121.76 116.28 1fuj s ALA 112 Ca 0.62 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 1fuj s ALA 112 Cb -0.41 -3.29 0.09 0.00 0.00 0.00 0.00 23.12 19.50 1fuj s ALA 112 CO 0.39 -2.50 0.25 -0.80 0.00 0.00 0.00 175.76 173.10 1fuj s ASN 113 N -3.09 5.50 0.19 0.00 0.02 -1.26 -4.92 114.94 111.39 1fuj s ASN 113 Ca 0.64 -1.70 -0.33 0.00 -1.02 0.00 0.00 52.86 50.45 1fuj s ASN 113 Cb -0.20 -1.93 -0.13 0.00 0.02 0.00 0.00 41.25 39.00 1fuj s ASN 113 CO 0.58 -0.55 1.55 0.18 0.02 0.00 0.00 177.10 178.88 1fuj n LEU 114 N 4.81 3.25 0.00 0.60 4.77 -1.26 -4.76 117.00 124.41 1fuj n LEU 114 Ca -0.08 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1fuj n LEU 114 Cb 0.42 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1fuj n LEU 114 CO 0.37 -0.27 0.00 -1.54 -1.33 0.00 0.00 177.39 174.62 1fuj n SER 115 N 3.08 0.00 0.14 -1.43 3.41 0.45 -4.90 113.62 114.37 1fuj n SER 115 Ca 0.15 -0.37 0.01 0.00 -0.26 0.00 0.00 58.87 58.39 1fuj n SER 115 Cb 0.30 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.56 1fuj n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fuj h ALA 116 N 1.40 1.28 -0.01 7.33 0.00 -1.97 -2.84 119.26 124.45 1fuj h ALA 116 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1fuj h ALA 116 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1fuj h ALA 116 CO 0.00 0.51 -0.54 0.43 0.00 0.00 0.00 179.25 179.65 1fuj n SER 117 N -4.08 1.21 -3.43 0.00 7.64 -1.26 -4.74 113.62 108.96 1fuj n SER 117 Ca -0.02 -0.97 -0.15 0.00 1.01 0.00 0.00 58.87 58.74 1fuj n SER 117 Cb 0.43 0.46 -0.11 0.00 -1.01 0.00 0.00 64.21 63.98 1fuj n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1fuj s VAL 118 N -2.71 -0.42 0.09 0.44 1.01 -1.07 -3.82 120.40 113.92 1fuj s VAL 118 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1fuj s VAL 118 Cb 0.18 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1fuj s VAL 118 CO 0.65 -0.23 0.09 0.00 0.00 0.00 0.00 175.10 175.61 1fuj s ALA 119 N 2.39 0.30 0.87 5.51 0.00 -0.71 0.17 121.76 130.29 1fuj s ALA 119 Ca 0.09 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 1fuj s ALA 119 Cb -0.15 0.53 0.14 0.00 0.00 0.00 0.00 23.12 23.63 1fuj s ALA 119 CO -0.17 -0.47 1.23 0.95 0.00 0.00 0.00 175.76 177.30 1fuj s THR 120 N -3.93 2.03 -0.01 0.00 -4.23 -1.26 -3.63 115.64 104.61 1fuj s THR 120 Ca 0.11 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.58 1fuj s THR 120 Cb 0.06 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1fuj s THR 120 CO -0.07 0.00 -0.02 0.54 -0.54 0.00 0.00 174.62 174.53 1fuj s VAL 121 N -3.68 0.18 0.51 2.29 0.11 -1.05 -4.81 120.40 113.95 1fuj s VAL 121 Ca 0.68 -0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 59.49 1fuj s VAL 121 Cb -0.07 -0.18 -0.08 0.00 -1.53 0.00 0.00 36.38 34.51 1fuj s VAL 121 CO 0.50 0.07 0.99 -1.10 -3.33 0.00 0.00 175.10 172.23 1fuj s GLN 122 N 0.16 3.93 0.47 1.54 -1.52 -1.26 -4.62 119.66 118.35 1fuj s GLN 122 Ca -0.01 1.02 -0.02 0.00 -1.95 0.00 0.00 55.36 54.39 1fuj s GLN 122 Cb -0.03 -2.13 -0.02 0.00 -0.22 0.00 0.00 33.01 30.61 1fuj s GLN 122 CO -0.00 -0.29 0.73 -0.51 -0.25 0.00 0.00 175.29 174.96 1fuj s LEU 123 N -3.95 3.63 0.00 2.90 1.43 -1.26 -2.31 118.68 119.12 1fuj s LEU 123 Ca 0.60 0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1fuj s LEU 123 Cb -0.11 -3.47 0.09 0.00 0.03 0.00 0.00 46.19 42.74 1fuj s LEU 123 CO 0.28 -0.66 0.61 -0.81 0.23 0.00 0.00 176.35 176.00 1fuj n PRO 124 N -2.18 -0.09 -3.22 1.29 -0.04 -1.26 -4.88 135.00 124.63 1fuj n PRO 124 Ca 0.01 -1.37 -0.27 0.00 -0.04 0.00 0.00 63.50 61.82 1fuj n PRO 124 Cb 0.57 -0.49 -0.02 0.00 -0.04 0.00 0.00 33.50 33.51 1fuj n PRO 124 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1fuj s GLN 125 N -4.11 3.59 0.36 0.54 -1.52 -1.26 -4.94 119.66 112.32 1fuj s GLN 125 Ca 0.38 -0.03 -0.28 0.00 -1.95 0.00 0.00 55.36 53.48 1fuj s GLN 125 Cb -0.02 -2.60 -0.11 0.00 -0.22 0.00 0.00 33.01 30.06 1fuj s GLN 125 CO 0.26 0.12 1.43 0.94 -0.25 0.00 0.00 175.29 177.78 1fuj n GLN 126 N -1.38 2.50 -0.98 2.91 -0.06 -1.26 -1.80 117.38 117.32 1fuj n GLN 126 Ca -0.02 0.88 -0.03 0.00 -2.00 0.00 0.00 57.00 55.83 1fuj n GLN 126 Cb 0.55 -2.56 -0.01 0.00 -4.06 0.00 0.00 30.24 24.15 1fuj n GLN 126 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1fuj n ASP 127 N 0.58 -5.26 -4.70 1.69 8.00 0.21 -4.91 116.55 112.17 1fuj n ASP 127 Ca 0.02 0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.17 1fuj n ASP 127 Cb 0.38 -3.33 -0.03 0.00 -0.02 0.00 0.00 41.12 38.12 1fuj n ASP 127 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1fuj s GLN 128 N -2.03 4.16 0.62 -1.24 0.74 -0.74 -4.96 119.66 116.21 1fuj s GLN 128 Ca 0.00 2.52 -0.13 0.00 0.05 0.00 0.00 55.36 57.80 1fuj s GLN 128 Cb 0.00 -3.47 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 1fuj s GLN 128 CO 0.00 -0.78 1.04 -1.25 -0.55 0.00 0.00 175.29 173.75 1fuj s PRO 129 N 2.32 3.38 -0.38 1.67 0.04 -1.26 -4.76 135.00 136.01 1fuj s PRO 129 Ca 0.77 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1fuj s PRO 129 Cb -0.45 -2.05 0.12 0.00 0.04 0.00 0.00 34.50 32.16 1fuj s PRO 129 CO 0.34 -0.74 0.19 0.08 0.04 0.00 0.00 177.00 176.91 1fuj s VAL 130 N -2.91 1.04 0.81 -0.36 1.01 -1.26 -5.12 120.40 113.60 1fuj s VAL 130 Ca 0.58 -2.04 -0.10 0.00 0.00 0.00 0.00 61.98 60.41 1fuj s VAL 130 Cb -0.13 -1.75 0.08 0.00 0.00 0.00 0.00 36.38 34.58 1fuj s VAL 130 CO 0.47 -0.84 1.10 -2.16 0.00 0.00 0.00 175.10 173.68 1fuj s PRO 131 N 0.88 1.97 0.55 2.72 0.04 -1.26 -4.95 135.00 134.94 1fuj s PRO 131 Ca 0.15 1.26 -0.21 0.00 0.04 0.00 0.00 61.00 62.24 1fuj s PRO 131 Cb -0.22 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1fuj s PRO 131 CO -0.08 -1.88 1.32 -1.58 0.04 0.00 0.00 177.00 174.83 1fuj s HIS 132 N -2.84 2.34 0.00 0.56 5.65 -1.26 -2.17 115.29 117.56 1fuj s HIS 132 Ca 0.62 1.41 0.00 0.00 0.25 0.00 0.00 55.06 57.35 1fuj s HIS 132 Cb -0.18 -3.72 0.00 0.00 -1.18 0.00 0.00 32.58 27.49 1fuj s HIS 132 CO 0.56 -2.70 0.00 0.41 -0.65 0.00 0.00 174.74 172.36 1fuj n GLY 133 N 0.70 2.70 3.67 1.59 0.00 -0.04 -4.97 105.19 108.84 1fuj n GLY 133 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1fuj n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fuj n THR 134 N -2.00 0.56 -2.97 2.61 -1.04 -0.92 -4.62 114.28 105.91 1fuj n THR 134 Ca 0.00 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.49 1fuj n THR 134 Cb 0.00 -2.12 -0.05 0.00 -1.82 0.00 0.00 70.33 66.34 1fuj n THR 134 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1fuj s GLN 135 N 3.66 4.07 0.48 -2.82 -0.21 -1.26 -0.04 119.66 123.53 1fuj s GLN 135 Ca 0.87 0.69 0.02 0.00 0.02 0.00 0.00 55.36 56.96 1fuj s GLN 135 Cb -0.52 -3.68 -0.01 0.00 1.00 0.00 0.00 33.01 29.79 1fuj s GLN 135 CO 0.43 -0.57 0.07 0.00 -2.12 0.00 0.00 175.29 173.10 1fuj s LEU 137 N -3.77 2.10 0.16 0.00 2.96 0.68 -1.90 118.68 118.91 1fuj s LEU 137 Ca 0.11 -0.49 0.10 0.00 -0.22 0.00 0.00 54.13 53.64 1fuj s LEU 137 Cb 0.01 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 1fuj s LEU 137 CO 0.08 0.27 -0.20 0.00 -1.32 0.00 0.00 176.35 175.18 1fuj s ALA 138 N -0.29 2.64 0.21 5.97 0.00 0.01 -1.44 121.76 128.86 1fuj s ALA 138 Ca 0.00 -1.51 -0.22 0.00 0.00 0.00 0.00 51.96 50.24 1fuj s ALA 138 Cb -0.13 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.53 1fuj s ALA 138 CO 0.02 0.50 0.64 0.00 0.00 0.00 0.00 175.76 176.92 1fuj s MET 139 N -2.48 1.48 0.00 0.00 0.23 -1.25 0.20 119.30 117.48 1fuj s MET 139 Ca 0.20 -0.71 0.00 0.00 -1.03 0.00 0.00 55.69 54.14 1fuj s MET 139 Cb -0.09 0.59 0.00 0.00 -1.53 0.00 0.00 34.83 33.80 1fuj s MET 139 CO 0.10 -0.66 0.00 0.41 -2.03 0.00 0.00 175.02 172.84 1fuj n GLY 140 N -0.41 -0.31 1.53 3.16 0.00 -0.48 -4.52 105.19 104.17 1fuj n GLY 140 Ca -0.11 -1.25 -0.06 0.00 0.00 0.00 0.00 46.02 44.60 1fuj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fuj n TRP 141 N -0.92 1.80 -0.88 1.61 8.01 -1.26 -2.22 117.44 123.58 1fuj n TRP 141 Ca 0.00 -1.41 -0.24 0.00 -1.31 0.00 0.00 57.50 54.54 1fuj n TRP 141 Cb 0.00 -0.60 0.20 0.00 -2.01 0.00 0.00 31.31 28.90 1fuj n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fuj n GLY 142 N -0.76 -2.80 3.78 6.99 0.00 -1.26 -3.35 105.19 107.78 1fuj n GLY 142 Ca 0.38 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1fuj n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fuj s ARG 143 N -4.96 4.12 -0.02 1.61 0.52 0.33 -2.83 118.95 117.72 1fuj s ARG 143 Ca 0.57 2.54 0.06 0.00 -0.52 0.00 0.00 55.73 58.38 1fuj s ARG 143 Cb -0.06 -2.97 0.21 0.00 0.52 0.00 0.00 34.95 32.65 1fuj s ARG 143 CO 0.44 -0.51 1.07 1.33 0.02 0.00 0.00 175.30 177.65 1fuj n VAL 144 N 0.48 0.45 0.00 3.52 0.24 -1.26 -2.22 118.33 119.54 1fuj n VAL 144 Ca 0.01 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1fuj n VAL 144 Cb 0.39 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1fuj n VAL 144 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fuj n GLY 145 N 0.65 -0.65 2.32 7.63 0.00 -1.26 -4.45 105.19 109.42 1fuj n GLY 145 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 1fuj n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fuj n ALA 146 N 0.00 -0.48 0.00 4.61 0.00 -1.26 -4.81 120.51 118.57 1fuj n ALA 146 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1fuj n ALA 146 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1fuj n ALA 146 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1fuj n HIS 147 N -4.02 0.00 -4.17 0.00 1.44 -1.26 -5.05 115.22 102.15 1fuj n HIS 147 Ca -0.18 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.20 1fuj n HIS 147 Cb 0.64 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.67 1fuj n HIS 147 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1fuj s ASP 148 N -2.73 5.45 0.20 4.39 2.15 -1.26 -5.07 116.67 119.81 1fuj s ASP 148 Ca 0.00 0.08 -0.30 0.00 0.43 0.00 0.00 52.55 52.76 1fuj s ASP 148 Cb 0.00 -1.51 -0.09 0.00 -0.30 0.00 0.00 42.92 41.02 1fuj s ASP 148 CO 0.00 0.27 1.31 -2.84 -0.17 0.00 0.00 175.17 173.75 1fuj s PRO 150 N -1.68 4.38 0.00 4.34 0.02 -1.26 -4.33 135.00 136.47 1fuj s PRO 150 Ca 0.22 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1fuj s PRO 150 Cb -0.12 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1fuj s PRO 150 CO 0.13 -0.25 0.00 -2.30 -0.33 0.00 0.00 177.00 174.24 1fuj n PRO 151 N 2.57 0.00 -1.64 5.54 -0.02 -1.26 -4.83 135.00 135.36 1fuj n PRO 151 Ca 0.06 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 61.07 1fuj n PRO 151 Cb 0.43 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.87 1fuj n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fuj n ALA 152 N 0.00 0.49 -0.08 3.55 0.00 -1.13 -4.94 120.51 118.40 1fuj n ALA 152 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.78 1fuj n ALA 152 Cb 0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.18 1fuj n ALA 152 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1fuj h GLN 153 N 4.65 0.00 -6.58 0.00 4.20 -1.88 -3.45 115.11 112.04 1fuj h GLN 153 Ca -0.45 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 57.75 1fuj h GLN 153 Cb 1.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 1fuj h GLN 153 CO 0.79 0.38 -0.07 0.14 -0.67 0.00 0.00 178.83 179.40 1fuj s VAL 154 N -2.27 4.95 0.35 -0.54 -7.23 -1.25 -1.63 120.40 112.79 1fuj s VAL 154 Ca -0.20 0.24 -0.28 0.00 -1.81 0.00 0.00 61.98 59.94 1fuj s VAL 154 Cb 0.03 -3.72 -0.12 0.00 0.56 0.00 0.00 36.38 33.13 1fuj s VAL 154 CO 0.35 -0.35 1.44 -0.11 -0.31 0.00 0.00 175.10 176.12 1fuj n LEU 155 N -0.97 4.30 -4.31 1.32 7.94 -0.70 -4.82 117.00 119.75 1fuj n LEU 155 Ca -0.00 1.21 -0.29 0.00 -1.11 0.00 0.00 56.01 55.81 1fuj n LEU 155 Cb 0.54 -1.57 -0.15 0.00 0.53 0.00 0.00 43.42 42.77 1fuj n LEU 155 CO 0.48 -0.06 -0.56 -1.10 -1.11 0.00 0.00 177.39 175.04 1fuj s GLN 156 N -1.75 1.81 0.14 1.96 -1.52 -0.94 -1.75 119.66 117.61 1fuj s GLN 156 Ca 0.56 -1.02 0.06 0.00 -1.95 0.00 0.00 55.36 53.02 1fuj s GLN 156 Cb -0.51 -1.90 -0.04 0.00 -0.22 0.00 0.00 33.01 30.34 1fuj s GLN 156 CO 0.61 0.50 -0.15 -1.83 -0.25 0.00 0.00 175.29 174.17 1fuj s GLU 157 N -1.02 1.09 -0.12 2.91 -1.05 0.47 -1.38 118.70 119.60 1fuj s GLU 157 Ca 0.10 -1.30 -0.10 0.00 -0.15 0.00 0.00 54.97 53.53 1fuj s GLU 157 Cb -0.10 -0.99 0.04 0.00 -0.44 0.00 0.00 34.13 32.64 1fuj s GLU 157 CO 0.01 0.19 0.32 -1.17 0.95 0.00 0.00 175.26 175.56 1fuj s LEU 158 N -2.57 0.62 -0.18 1.83 2.96 0.13 -0.70 118.68 120.77 1fuj s LEU 158 Ca 0.11 0.65 -0.27 0.00 -0.22 0.00 0.00 54.13 54.40 1fuj s LEU 158 Cb -0.05 1.05 -0.01 0.00 0.50 0.00 0.00 46.19 47.69 1fuj s LEU 158 CO 0.04 -0.13 0.92 0.20 -1.32 0.00 0.00 176.35 176.06 1fuj s ASN 159 N 0.51 7.04 0.26 3.68 -0.87 -1.26 -0.81 114.94 123.48 1fuj s ASN 159 Ca -0.03 1.29 0.02 0.00 -1.57 0.00 0.00 52.86 52.57 1fuj s ASN 159 Cb -0.04 -2.50 -0.05 0.00 -0.02 0.00 0.00 41.25 38.64 1fuj s ASN 159 CO -0.03 -0.49 0.07 0.68 -2.57 0.00 0.00 177.10 174.77 1fuj s VAL 160 N 2.46 0.69 0.01 1.60 -7.23 -0.80 -4.86 120.40 112.27 1fuj s VAL 160 Ca 0.41 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1fuj s VAL 160 Cb -0.16 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 1fuj s VAL 160 CO 0.11 -0.08 -0.05 0.42 -0.31 0.00 0.00 175.10 175.19 1fuj s THR 161 N -3.66 0.40 0.34 5.32 -4.23 -1.19 -1.10 115.64 111.52 1fuj s THR 161 Ca 0.35 -0.38 -0.28 0.00 -1.18 0.00 0.00 61.69 60.21 1fuj s THR 161 Cb 0.08 -0.37 -0.10 0.00 1.34 0.00 0.00 72.50 73.45 1fuj s THR 161 CO 0.12 0.00 1.22 -0.69 -0.54 0.00 0.00 174.62 174.74 1fuj s VAL 162 N -0.37 3.00 0.08 2.29 1.01 0.94 -2.12 120.40 125.23 1fuj s VAL 162 Ca -0.01 0.96 0.01 0.00 0.00 0.00 0.00 61.98 62.94 1fuj s VAL 162 Cb -0.04 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1fuj s VAL 162 CO -0.00 0.19 -0.05 0.68 0.00 0.00 0.00 175.10 175.92 1fuj s VAL 163 N -1.21 0.51 -0.64 2.92 -7.23 -0.17 -0.86 120.40 113.72 1fuj s VAL 163 Ca 0.50 -1.89 0.17 0.00 -1.81 0.00 0.00 61.98 58.95 1fuj s VAL 163 Cb -0.36 -1.64 -0.20 0.00 0.56 0.00 0.00 36.38 34.75 1fuj s VAL 163 CO 0.47 -0.91 0.65 0.35 -0.31 0.00 0.00 175.10 175.35 1fuj n THR 164 N 0.01 0.00 -2.13 5.32 -2.24 -1.26 -3.96 114.28 110.02 1fuj n THR 164 Ca -0.13 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 1fuj n THR 164 Cb 0.61 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 1fuj n THR 164 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1fuj s PHE 165 N -2.73 3.16 -1.50 4.78 -0.71 -1.26 -3.12 117.98 116.60 1fuj s PHE 165 Ca 0.04 1.11 -0.02 0.00 -1.04 0.00 0.00 56.93 57.01 1fuj s PHE 165 Cb 0.12 -3.70 0.01 0.00 -1.21 0.00 0.00 43.02 38.25 1fuj s PHE 165 CO 0.70 -2.26 0.22 0.34 -1.34 0.00 0.00 175.22 172.88 1fuj n PHE 166 N 2.66 -1.45 -4.10 3.49 -0.00 -1.26 -4.64 117.46 112.17 1fuj n PHE 166 Ca 0.07 0.19 -0.15 0.00 -0.00 0.00 0.00 57.45 57.56 1fuj n PHE 166 Cb 0.42 -3.72 -0.02 0.00 -0.00 0.00 0.00 39.48 36.16 1fuj n PHE 166 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1fuj s ARG 177 N -2.99 0.21 0.55 0.00 3.52 -1.26 -5.02 118.95 113.96 1fuj s ARG 177 Ca 0.06 -0.25 0.34 0.00 -0.13 0.00 0.00 55.73 55.75 1fuj s ARG 177 Cb -0.00 -0.09 1.49 0.00 -1.56 0.00 0.00 34.95 34.78 1fuj s ARG 177 CO 0.04 0.02 2.04 -1.35 -0.81 0.00 0.00 175.30 175.23 1fuj h PRO 178 N 5.63 0.00 0.00 5.12 0.11 -2.01 -2.08 132.00 138.78 1fuj h PRO 178 Ca -0.28 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1fuj h PRO 178 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1fuj h PRO 178 CO 0.48 0.04 -0.22 1.25 -0.21 0.00 0.00 178.00 179.34 1fuj h HIS 179 N 0.00 0.00 -0.59 0.65 2.76 -1.97 -3.45 115.15 112.55 1fuj h HIS 179 Ca -0.00 0.00 -0.64 0.00 -2.20 0.00 0.00 60.37 57.53 1fuj h HIS 179 Cb 0.44 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.30 1fuj h HIS 179 CO 0.00 0.22 -0.46 -0.80 -1.30 0.00 0.00 177.93 175.59 1fuj s ASN 180 N -6.19 4.28 -0.08 3.26 -0.87 -0.78 -3.82 114.94 110.75 1fuj s ASN 180 Ca 0.02 -1.48 0.04 0.00 -1.57 0.00 0.00 52.86 49.87 1fuj s ASN 180 Cb 0.09 0.36 0.00 0.00 -0.02 0.00 0.00 41.25 41.68 1fuj s ASN 180 CO 0.65 -0.88 -0.19 -0.63 -2.57 0.00 0.00 177.10 173.49 1fuj s ILE 181 N -2.82 1.64 0.15 0.60 1.01 -0.08 -4.64 121.20 117.07 1fuj s ILE 181 Ca 0.18 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 60.12 1fuj s ILE 181 Cb 0.01 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1fuj s ILE 181 CO 0.11 0.47 -0.03 0.00 0.00 0.00 0.00 174.94 175.48 1fuj s THR 183 N -1.57 0.49 -0.06 0.00 -4.23 -0.66 -1.00 115.64 108.60 1fuj s THR 183 Ca 0.26 -1.59 -0.27 0.00 -1.18 0.00 0.00 61.69 58.90 1fuj s THR 183 Cb -0.10 -1.24 0.06 0.00 1.34 0.00 0.00 72.50 72.56 1fuj s THR 183 CO 0.17 -0.74 0.60 0.12 -0.54 0.00 0.00 174.62 174.23 1fuj s PHE 184 N -2.92 -0.57 -0.54 3.99 5.36 -0.90 0.51 117.98 122.91 1fuj s PHE 184 Ca 0.03 1.02 -0.01 0.00 -0.96 0.00 0.00 56.93 57.00 1fuj s PHE 184 Cb 0.01 0.33 0.14 0.00 -0.34 0.00 0.00 43.02 43.15 1fuj s PHE 184 CO -0.04 -0.53 0.33 0.08 -1.46 0.00 0.00 175.22 173.60 1fuj s VAL 185 N -1.04 3.35 -0.50 3.12 1.01 -1.26 -3.20 120.40 121.89 1fuj s VAL 185 Ca -0.10 -2.77 0.00 0.00 0.00 0.00 0.00 61.98 59.11 1fuj s VAL 185 Cb -0.02 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1fuj s VAL 185 CO 0.08 -0.81 0.00 -0.81 0.00 0.00 0.00 175.10 173.56 1fuj n PRO 186 N 3.73 0.00 -0.15 2.72 -0.04 -1.26 -4.74 135.00 135.26 1fuj n PRO 186 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1fuj n PRO 186 Cb 0.38 -0.78 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 1fuj n PRO 186 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1fuj n ARG 186 N 0.30 0.00 -2.81 0.54 1.74 -1.26 -5.12 116.66 110.06 1fuj n ARG 186 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1fuj n ARG 186 Cb 0.00 -0.15 -0.03 0.00 -1.02 0.00 0.00 32.46 31.26 1fuj n ARG 186 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1fuj s LYS 187 N -1.40 3.33 0.05 5.56 2.47 -1.26 -4.92 119.74 123.57 1fuj s LYS 187 Ca 0.00 -1.09 -0.10 0.00 -1.56 0.00 0.00 55.97 53.22 1fuj s LYS 187 Cb 0.00 -4.58 0.00 0.00 -1.46 0.00 0.00 37.83 31.79 1fuj s LYS 187 CO 0.00 -1.89 0.21 0.00 0.16 0.00 0.00 175.35 173.82 1fuj s ALA 188 N 3.94 -0.37 0.00 3.13 0.00 -1.26 -4.04 121.76 123.17 1fuj s ALA 188 Ca 0.30 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1fuj s ALA 188 Cb -0.10 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1fuj s ALA 188 CO 0.02 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1fuj n GLY 189 N 0.52 0.49 3.79 0.00 0.00 -0.71 -4.56 105.19 104.73 1fuj n GLY 189 Ca -0.18 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 1fuj n GLY 189 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fuj s ILE 190 N -2.00 4.08 0.11 -0.61 -4.36 -1.26 0.10 121.20 117.25 1fuj s ILE 190 Ca 0.00 1.51 0.01 0.00 -0.26 0.00 0.00 60.65 61.91 1fuj s ILE 190 Cb 0.00 -3.74 -0.00 0.00 1.25 0.00 0.00 42.46 39.97 1fuj s ILE 190 CO 0.00 -0.07 0.04 0.00 0.24 0.00 0.00 174.94 175.15 1fuj s PHE 192 N -1.90 2.56 0.00 0.00 0.08 -1.26 -1.88 117.98 115.58 1fuj s PHE 192 Ca 0.05 0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.64 1fuj s PHE 192 Cb 0.00 -3.81 0.00 0.00 -0.57 0.00 0.00 43.02 38.64 1fuj s PHE 192 CO 0.04 -3.18 0.00 0.41 -0.10 0.00 0.00 175.22 172.39 1fuj n GLY 193 N 3.85 2.63 0.09 4.36 0.00 -1.26 0.12 105.19 114.98 1fuj n GLY 193 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1fuj n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fuj h ASP 194 N 0.03 0.00 -2.35 1.61 3.32 -1.69 -3.31 116.42 114.03 1fuj h ASP 194 Ca 0.00 -0.11 -0.61 0.00 0.02 0.00 0.00 57.03 56.33 1fuj h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1fuj h ASP 194 CO 0.00 0.05 0.11 -1.20 -1.72 0.00 0.00 179.24 176.49 1fuj n SER 195 N -2.22 1.18 0.00 6.45 7.64 -1.26 -1.82 113.62 123.59 1fuj n SER 195 Ca 0.04 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1fuj n SER 195 Cb 0.44 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1fuj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fuj n GLY 196 N 1.34 3.08 3.51 0.23 0.00 -0.25 -0.22 105.19 112.89 1fuj n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1fuj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fuj s GLY 197 N -1.37 1.53 0.13 -0.02 0.00 -0.75 -3.47 107.32 103.37 1fuj s GLY 197 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 43.98 1fuj s GLY 197 CO 0.00 0.11 0.25 -4.14 0.00 0.00 0.00 173.10 169.32 1fuj s PRO 198 N -5.16 3.39 -0.30 2.90 0.02 -1.26 -1.50 135.00 133.08 1fuj s PRO 198 Ca 0.69 -0.59 0.03 0.00 0.02 0.00 0.00 61.00 61.16 1fuj s PRO 198 Cb -0.13 -2.95 0.08 0.00 0.02 0.00 0.00 34.50 31.51 1fuj s PRO 198 CO 0.58 0.54 -0.02 -1.17 -0.33 0.00 0.00 177.00 176.59 1fuj s LEU 199 N -3.06 4.09 -0.17 -5.54 2.96 0.02 -3.91 118.68 113.08 1fuj s LEU 199 Ca 0.34 -1.73 -0.06 0.00 -0.22 0.00 0.00 54.13 52.46 1fuj s LEU 199 Cb -0.11 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1fuj s LEU 199 CO 0.28 -0.29 0.04 0.27 -1.32 0.00 0.00 176.35 175.33 1fuj s ILE 200 N 1.03 4.59 -0.13 6.68 -5.25 -0.52 0.10 121.20 127.70 1fuj s ILE 200 Ca 0.00 -0.11 -0.00 0.00 -0.99 0.00 0.00 60.65 59.55 1fuj s ILE 200 Cb -0.20 -3.04 0.03 0.00 2.95 0.00 0.00 42.46 42.20 1fuj s ILE 200 CO -0.06 0.49 -0.10 0.00 -1.79 0.00 0.00 174.94 173.48 1fuj n ASP 202 N 4.87 -5.63 -1.84 0.00 8.00 -1.26 -2.48 116.55 118.20 1fuj n ASP 202 Ca -0.14 -0.57 -0.21 0.00 0.71 0.00 0.00 54.79 54.59 1fuj n ASP 202 Cb 0.50 -4.99 -0.07 0.00 -0.02 0.00 0.00 41.12 36.54 1fuj n ASP 202 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fuj n GLY 207 N -1.87 1.25 3.42 0.44 0.00 -1.26 -4.99 105.19 102.18 1fuj n GLY 207 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1fuj n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fuj s ILE 208 N -2.85 2.41 -0.30 -0.61 1.09 -1.04 -4.40 121.20 115.50 1fuj s ILE 208 Ca 0.00 -1.73 -0.21 0.00 -1.10 0.00 0.00 60.65 57.60 1fuj s ILE 208 Cb 0.00 -2.09 -0.01 0.00 -1.06 0.00 0.00 42.46 39.31 1fuj s ILE 208 CO 0.00 0.07 0.69 -0.51 -0.10 0.00 0.00 174.94 175.09 1fuj s ILE 209 N -1.15 4.89 -0.09 2.92 2.07 -0.98 -1.11 121.20 127.76 1fuj s ILE 209 Ca 0.16 1.01 0.17 0.00 -1.41 0.00 0.00 60.65 60.58 1fuj s ILE 209 Cb -0.10 -4.05 -0.25 0.00 0.13 0.00 0.00 42.46 38.19 1fuj s ILE 209 CO 0.07 -0.16 0.25 0.00 -1.91 0.00 0.00 174.94 173.19 1fuj n GLN 210 N 5.98 0.85 -4.23 3.50 1.13 0.29 -4.35 117.38 120.55 1fuj n GLN 210 Ca 0.01 -0.10 -0.16 0.00 -1.94 0.00 0.00 57.00 54.81 1fuj n GLN 210 Cb 0.49 -1.43 -0.09 0.00 0.11 0.00 0.00 30.24 29.32 1fuj n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1fuj s GLY 211 N -4.52 1.84 -0.07 1.08 0.00 -1.03 -0.42 107.32 104.21 1fuj s GLY 211 Ca -0.07 -1.85 0.01 0.00 0.00 0.00 0.00 44.72 42.81 1fuj s GLY 211 CO 0.73 -1.39 -0.09 -0.42 0.00 0.00 0.00 173.10 171.93 1fuj s ILE 212 N -3.75 0.97 -0.26 0.90 1.01 -1.16 -0.80 121.20 118.12 1fuj s ILE 212 Ca 0.39 -0.35 -0.34 0.00 0.00 0.00 0.00 60.65 60.35 1fuj s ILE 212 Cb 0.04 -0.94 -0.10 0.00 0.01 0.00 0.00 42.46 41.47 1fuj s ILE 212 CO 0.20 0.33 2.10 0.47 0.00 0.00 0.00 174.94 178.04 1fuj n ASP 213 N 4.16 2.68 -0.10 3.58 9.92 -0.56 -0.80 116.55 135.43 1fuj n ASP 213 Ca -0.20 0.54 -0.20 0.00 -0.53 0.00 0.00 54.79 54.40 1fuj n ASP 213 Cb 0.51 -1.34 -0.07 0.00 -0.64 0.00 0.00 41.12 39.58 1fuj n ASP 213 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1fuj n SER 214 N 9.21 1.55 -3.64 -2.24 2.88 -0.58 -1.09 113.62 119.72 1fuj n SER 214 Ca 0.34 0.19 -0.04 0.00 -1.33 0.00 0.00 58.87 58.03 1fuj n SER 214 Cb 0.28 -0.54 -0.01 0.00 -0.75 0.00 0.00 64.21 63.19 1fuj n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1fuj s PHE 215 N -2.36 -0.17 0.37 0.66 -0.12 -0.97 -4.95 117.98 110.44 1fuj s PHE 215 Ca -0.27 -0.01 0.07 0.00 -0.05 0.00 0.00 56.93 56.67 1fuj s PHE 215 Cb 0.10 0.58 -0.07 0.00 -0.63 0.00 0.00 43.02 43.00 1fuj s PHE 215 CO 0.36 -0.57 -0.02 0.14 -0.05 0.00 0.00 175.22 175.07 1fuj s VAL 216 N -2.98 1.93 -0.19 -2.49 -7.23 -1.26 -1.66 120.40 106.52 1fuj s VAL 216 Ca 0.10 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 1fuj s VAL 216 Cb -0.00 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1fuj s VAL 216 CO -0.03 -0.09 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.98 1fuj s ILE 217 N -2.78 3.40 0.00 -0.62 1.01 -1.26 -4.76 121.20 116.18 1fuj s ILE 217 Ca 0.34 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1fuj s ILE 217 Cb 0.07 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1fuj s ILE 217 CO 0.17 0.45 0.00 1.87 0.00 0.00 0.00 174.94 177.43 1fuj n TRP 218 N 4.33 0.00 -3.16 3.97 -0.00 -1.26 -4.72 117.44 116.60 1fuj n TRP 218 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.32 1fuj n TRP 218 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.82 1fuj n TRP 218 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1fuj n GLY 219 N 0.00 0.85 3.82 5.87 0.00 -1.26 -5.14 105.19 109.33 1fuj n GLY 219 Ca 0.00 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 1fuj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fuj n ALA 220 N 2.08 -1.84 0.19 0.00 0.00 -1.26 -4.89 120.51 114.78 1fuj n ALA 220 Ca -0.13 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.33 1fuj n ALA 220 Cb 0.52 -2.71 0.56 0.00 0.00 0.00 0.00 19.45 17.82 1fuj n ALA 220 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1fuj h THR 221 N -1.97 1.05 -0.07 0.00 1.35 -1.86 -3.44 112.91 107.98 1fuj h THR 221 Ca -0.60 -0.18 -0.03 0.00 -0.55 0.00 0.00 66.41 65.05 1fuj h THR 221 Cb 1.36 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 1fuj h THR 221 CO 0.57 0.06 -0.03 0.54 -0.25 0.00 0.00 175.52 176.42 1fuj n ARG 222 N -4.48 -0.47 0.00 4.72 1.74 -1.26 -4.80 116.66 112.11 1fuj n ARG 222 Ca -0.02 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1fuj n ARG 222 Cb 0.12 -3.74 0.00 0.00 -1.02 0.00 0.00 32.46 27.82 1fuj n ARG 222 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1fuj n LEU 223 N -0.16 0.00 -4.21 0.55 4.32 -1.26 -5.06 117.00 111.18 1fuj n LEU 223 Ca -0.01 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.75 1fuj n LEU 223 Cb 0.14 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.81 1fuj n LEU 223 CO 0.02 0.00 -0.49 -0.36 -1.22 0.00 0.00 177.39 175.34 1fuj s PHE 224 N -1.10 1.53 0.71 -1.77 0.08 -1.26 -5.10 117.98 111.06 1fuj s PHE 224 Ca 0.00 -0.38 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 1fuj s PHE 224 Cb 0.00 -0.89 0.02 0.00 -0.57 0.00 0.00 43.02 41.58 1fuj s PHE 224 CO 0.00 0.09 1.08 -1.25 -0.10 0.00 0.00 175.22 175.03 1fuj s PRO 225 N -1.33 2.73 0.37 0.24 0.04 -1.26 -4.75 135.00 131.03 1fuj s PRO 225 Ca 0.04 1.11 -0.10 0.00 0.04 0.00 0.00 61.00 62.10 1fuj s PRO 225 Cb -0.09 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1fuj s PRO 225 CO 0.02 -1.28 0.72 -0.51 0.04 0.00 0.00 177.00 175.99 1fuj s ASP 226 N -3.39 6.53 -0.06 6.66 1.01 0.18 -4.68 116.67 122.92 1fuj s ASP 226 Ca 0.61 1.05 0.03 0.00 0.71 0.00 0.00 52.55 54.95 1fuj s ASP 226 Cb -0.16 -2.29 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 1fuj s ASP 226 CO 0.52 -0.33 -0.12 -0.36 0.21 0.00 0.00 175.17 175.08 1fuj s PHE 227 N -2.26 2.77 0.04 4.23 0.40 -0.67 -1.66 117.98 120.83 1fuj s PHE 227 Ca 0.50 -0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.74 1fuj s PHE 227 Cb -0.10 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 1fuj s PHE 227 CO 0.29 0.22 -0.08 -0.06 0.70 0.00 0.00 175.22 176.30 1fuj s PHE 228 N -0.74 0.71 0.46 0.36 0.40 -0.25 -1.52 117.98 117.40 1fuj s PHE 228 Ca 0.12 -0.43 -0.24 0.00 -0.60 0.00 0.00 56.93 55.78 1fuj s PHE 228 Cb -0.11 -0.43 -0.07 0.00 0.51 0.00 0.00 43.02 42.92 1fuj s PHE 228 CO 0.01 -0.06 1.25 0.99 0.70 0.00 0.00 175.22 178.11 1fuj s THR 229 N -1.16 2.74 -0.69 0.64 2.01 0.02 -0.90 115.64 118.31 1fuj s THR 229 Ca -0.07 0.59 -0.16 0.00 0.31 0.00 0.00 61.69 62.36 1fuj s THR 229 Cb -0.09 -3.32 0.16 0.00 0.01 0.00 0.00 72.50 69.27 1fuj s THR 229 CO 0.01 0.02 0.69 -0.60 -0.69 0.00 0.00 174.62 174.05 1fuj s ARG 230 N -2.59 3.28 0.36 4.92 3.52 -1.25 -3.00 118.95 124.18 1fuj s ARG 230 Ca 0.63 -1.91 0.11 0.00 -0.13 0.00 0.00 55.73 54.43 1fuj s ARG 230 Cb -0.34 -4.39 0.89 0.00 -1.56 0.00 0.00 34.95 29.54 1fuj s ARG 230 CO 0.42 -1.40 1.83 0.28 -0.81 0.00 0.00 175.30 175.62 1fuj h VAL 231 N 5.49 0.74 0.00 7.11 2.07 -1.06 -2.16 116.25 128.43 1fuj h VAL 231 Ca -0.11 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1fuj h VAL 231 Cb 1.07 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1fuj h VAL 231 CO 0.95 0.11 0.00 0.00 0.02 0.00 0.00 177.57 178.66 1fuj n ALA 232 N -2.43 1.09 0.16 1.67 0.00 -1.26 -1.27 120.51 118.46 1fuj n ALA 232 Ca 0.20 0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.85 1fuj n ALA 232 Cb 0.59 -1.30 0.14 0.00 0.00 0.00 0.00 19.45 18.88 1fuj n ALA 232 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fuj h LEU 233 N 0.00 0.00 -3.04 0.00 4.07 -1.71 0.61 115.31 115.24 1fuj h LEU 233 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1fuj h LEU 233 Cb 0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 1fuj h LEU 233 CO 0.00 0.48 -0.14 -1.22 -1.08 0.00 0.00 178.44 176.48 1fuj n TYR 234 N -3.34 0.12 0.00 1.13 4.02 -0.40 -4.84 117.16 113.86 1fuj n TYR 234 Ca 0.01 -1.15 -0.11 0.00 -0.01 0.00 0.00 57.90 56.64 1fuj n TYR 234 Cb 0.66 -0.20 -0.05 0.00 -0.02 0.00 0.00 39.34 39.72 1fuj n TYR 234 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1fuj h VAL 235 N 0.45 1.03 -0.52 -0.72 2.07 -1.67 -0.89 116.25 116.00 1fuj h VAL 235 Ca 0.01 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1fuj h VAL 235 Cb 1.06 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1fuj h VAL 235 CO 0.03 0.02 0.30 0.44 0.02 0.00 0.00 177.57 178.39 1fuj h ASP 236 N 0.12 0.47 -0.43 0.57 3.32 -1.89 -0.67 116.42 117.90 1fuj h ASP 236 Ca 0.03 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1fuj h ASP 236 Cb -0.01 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1fuj h ASP 236 CO -0.01 0.33 0.24 -0.25 -1.72 0.00 0.00 179.24 177.83 1fuj h TRP 237 N 0.59 0.45 0.93 4.55 7.01 -1.91 -0.32 115.95 127.26 1fuj h TRP 237 Ca 0.21 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.18 1fuj h TRP 237 Cb 0.05 -0.14 0.01 0.00 -2.10 0.00 0.00 29.16 26.98 1fuj h TRP 237 CO -0.07 0.25 -0.45 0.82 -2.79 0.00 0.00 178.44 176.20 1fuj h ILE 238 N 0.49 0.00 -0.89 2.65 2.04 -0.62 -0.35 117.51 120.84 1fuj h ILE 238 Ca 0.18 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 66.17 1fuj h ILE 238 Cb 0.04 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.02 1fuj h ILE 238 CO -0.10 0.00 0.48 0.03 0.00 0.00 0.00 178.15 178.57 1fuj h ARG 239 N -1.27 0.65 -0.42 2.37 3.08 -1.04 -0.13 114.38 117.63 1fuj h ARG 239 Ca -0.13 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.75 1fuj h ARG 239 Cb 0.96 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1fuj h ARG 239 CO 0.21 0.43 -0.26 0.77 -1.07 0.00 0.00 179.97 180.05 1fuj h SER 240 N 0.67 0.92 0.02 7.04 0.02 -0.97 -2.44 113.55 118.81 1fuj h SER 240 Ca 0.49 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1fuj h SER 240 Cb 0.70 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1fuj h SER 240 CO -0.36 1.12 -0.10 0.74 -1.14 0.00 0.00 176.83 177.09 1fuj h THR 241 N 0.76 1.15 0.00 -2.27 2.02 0.74 0.39 112.91 115.70 1fuj h THR 241 Ca 0.09 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1fuj h THR 241 Cb 0.82 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1fuj h THR 241 CO 0.07 0.21 0.00 0.18 0.37 0.00 0.00 175.52 176.35 1fuj n LEU 242 N -4.31 0.00 0.00 2.58 4.77 -0.62 -5.10 117.00 114.31 1fuj n LEU 242 Ca -0.01 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1fuj n LEU 242 Cb 0.24 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1fuj n LEU 242 CO 0.37 -0.03 0.00 0.54 -1.33 0.00 0.00 177.39 176.94