#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 4.77 -2.21 1.39 1.01 0.11 -4.03 120.40 121.44 1fuj s VAL 17 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1fuj s VAL 17 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1fuj s VAL 17 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1fuj n GLY 18 N 2.59 1.98 0.00 4.51 0.00 -1.26 -1.96 105.19 111.05 1fuj n GLY 18 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.41 1.25 3.30 -0.02 0.00 -1.26 -4.92 105.19 103.13 1fuj n GLY 19 Ca -0.21 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 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 1.58 0.53 -0.02 1.61 -3.43 0.21 -4.90 115.29 110.86 1fuj s HIS 20 Ca 0.00 -0.89 -0.30 0.00 -0.80 0.00 0.00 55.06 53.07 1fuj s HIS 20 Cb 0.00 -0.16 -0.05 0.00 -1.43 0.00 0.00 32.58 30.94 1fuj s HIS 20 CO 0.00 -0.68 1.47 -2.00 -2.00 0.00 0.00 174.74 171.53 1fuj s GLU 21 N -3.99 4.25 0.65 -0.38 2.12 -1.26 0.28 118.70 120.36 1fuj s GLU 21 Ca 0.20 2.02 -0.14 0.00 0.36 0.00 0.00 54.97 57.41 1fuj s GLU 21 Cb 0.04 -3.68 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 1fuj s GLU 21 CO 0.01 -0.67 1.07 0.00 -0.54 0.00 0.00 175.26 175.14 1fuj s ALA 22 N 2.89 2.63 0.40 6.30 0.00 0.27 -4.78 121.76 129.47 1fuj s ALA 22 Ca 0.66 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.70 1fuj s ALA 22 Cb -0.32 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 1fuj s ALA 22 CO 0.27 -1.08 1.14 -0.65 0.00 0.00 0.00 175.76 175.43 1fuj s GLN 23 N -4.40 4.08 -0.11 0.00 1.11 -1.26 -4.87 119.66 114.20 1fuj s GLN 23 Ca 0.63 1.76 -0.35 0.00 0.01 0.00 0.00 55.36 57.41 1fuj s GLN 23 Cb -0.16 -2.64 -0.12 0.00 -1.01 0.00 0.00 33.01 29.07 1fuj s GLN 23 CO 0.44 -0.28 1.89 -2.30 0.01 0.00 0.00 175.29 175.05 1fuj n PRO 24 N 0.04 2.07 -1.33 2.91 -0.02 -1.26 -2.28 135.00 135.13 1fuj n PRO 24 Ca 0.04 0.76 -0.11 0.00 -2.02 0.00 0.00 63.50 62.17 1fuj n PRO 24 Cb 0.47 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 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 6.71 0.00 0.45 6.00 8.25 -1.26 -4.87 115.22 130.51 1fuj n HIS 25 Ca 0.23 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.82 1fuj n HIS 25 Cb 0.28 -2.21 0.37 0.00 1.12 0.00 0.00 29.99 29.56 1fuj n HIS 25 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1fuj h SER 26 N 0.00 0.00 -2.24 0.41 4.64 -1.84 -3.32 113.55 111.20 1fuj h SER 26 Ca -0.23 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.50 1fuj h SER 26 Cb 0.82 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.50 1fuj h SER 26 CO 0.34 0.00 -0.80 0.54 -0.87 0.00 0.00 176.83 176.04 1fuj n ARG 27 N -2.56 1.64 0.00 4.77 5.12 -1.26 -4.97 116.66 119.40 1fuj n ARG 27 Ca 0.04 -4.04 0.06 0.00 -1.93 0.00 0.00 57.85 51.99 1fuj n ARG 27 Cb 0.42 -1.86 0.37 0.00 -1.16 0.00 0.00 32.46 30.23 1fuj n ARG 27 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1fuj n PRO 28 N 1.33 0.36 0.00 5.56 -0.04 -1.25 -2.40 135.00 138.56 1fuj n PRO 28 Ca 0.26 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1fuj n PRO 28 Cb 0.45 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.06 0.00 -2.15 0.54 0.18 -1.13 -1.52 117.16 112.03 1fuj n TYR 29 Ca 0.09 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.46 1fuj n TYR 29 Cb 0.06 -0.03 -0.03 0.00 -0.38 0.00 0.00 39.34 38.95 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 -2.33 4.35 0.20 -3.48 -1.94 -1.01 -0.33 119.30 114.76 1fuj s MET 30 Ca 0.25 2.13 0.11 0.00 -1.71 0.00 0.00 55.69 56.46 1fuj s MET 30 Cb 0.19 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.81 1fuj s MET 30 CO 0.47 -0.31 -0.22 0.00 -0.01 0.00 0.00 175.02 174.95 1fuj s ALA 31 N 0.16 2.42 -0.12 3.03 0.00 -0.58 -4.40 121.76 122.27 1fuj s ALA 31 Ca 0.58 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 1fuj s ALA 31 Cb -0.38 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.50 1fuj s ALA 31 CO 0.39 0.35 -0.04 0.45 0.00 0.00 0.00 175.76 176.90 1fuj s SER 32 N -2.81 2.26 -0.23 0.00 0.15 -0.99 -2.73 113.70 109.34 1fuj s SER 32 Ca 0.21 -0.38 -0.15 0.00 0.70 0.00 0.00 55.95 56.33 1fuj s SER 32 Cb -0.07 -0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 63.46 1fuj s SER 32 CO 0.10 -0.17 0.37 -0.76 1.20 0.00 0.00 173.24 173.98 1fuj s LEU 33 N 1.76 4.11 0.33 3.45 1.02 0.87 -1.36 118.68 128.86 1fuj s LEU 33 Ca 0.03 0.40 0.03 0.00 0.02 0.00 0.00 54.13 54.62 1fuj s LEU 33 Cb -0.13 -2.45 -0.05 0.00 0.02 0.00 0.00 46.19 43.57 1fuj s LEU 33 CO -0.07 -0.11 0.09 -1.10 0.02 0.00 0.00 176.35 175.18 1fuj s GLN 34 N 1.58 1.66 -0.18 1.70 -0.21 0.14 -0.29 119.66 124.06 1fuj s GLN 34 Ca 0.17 -1.94 -0.20 0.00 0.02 0.00 0.00 55.36 53.40 1fuj s GLN 34 Cb -0.15 -0.61 -0.03 0.00 1.00 0.00 0.00 33.01 33.22 1fuj s GLN 34 CO 0.08 -0.30 0.60 1.41 -2.12 0.00 0.00 175.29 174.96 1fuj s MET 35 N -3.88 4.24 0.17 2.91 1.75 -1.04 0.38 119.30 123.83 1fuj s MET 35 Ca 0.34 0.58 -0.34 0.00 -1.25 0.00 0.00 55.69 55.02 1fuj s MET 35 Cb 0.07 -3.55 -0.14 0.00 2.84 0.00 0.00 34.83 34.04 1fuj s MET 35 CO 0.15 -0.16 1.48 0.54 -0.65 0.00 0.00 175.02 176.38 1fuj n ARG 36 N 4.78 1.94 -0.11 4.11 1.74 0.20 -0.92 116.66 128.40 1fuj n ARG 36 Ca -0.03 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 1fuj n ARG 36 Cb 0.50 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 1fuj n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fuj n GLY 38 N 2.90 2.24 3.03 -0.13 0.00 -1.26 -4.95 105.19 107.01 1fuj n GLY 38 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.55 4.80 -0.03 1.61 2.47 -0.09 -5.09 114.94 115.07 1fuj s ASN 38 Ca 0.00 -2.33 -0.30 0.00 0.42 0.00 0.00 52.86 50.65 1fuj s ASN 38 Cb 0.00 -1.68 -0.06 0.00 -1.45 0.00 0.00 41.25 38.06 1fuj s ASN 38 CO 0.00 -0.38 1.58 -2.84 -3.72 0.00 0.00 177.10 171.74 1fuj s PRO 38 N 0.67 4.21 -0.53 0.43 0.02 -1.26 -2.63 135.00 135.91 1fuj s PRO 38 Ca 0.12 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.27 1fuj s PRO 38 Cb -0.21 -3.82 0.00 0.00 0.02 0.00 0.00 34.50 30.49 1fuj s PRO 38 CO -0.06 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 1fuj n GLY 38 N 3.97 0.72 2.32 0.52 0.00 -1.25 -4.95 105.19 106.52 1fuj n GLY 38 Ca 0.16 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 1.16 7.18 -4.68 1.61 3.41 -1.08 -4.72 113.62 116.51 1fuj n SER 39 Ca -0.05 -2.85 -0.42 0.00 -0.26 0.00 0.00 58.87 55.29 1fuj n SER 39 Cb 0.20 -1.40 -0.03 0.00 -0.26 0.00 0.00 64.21 62.73 1fuj n SER 39 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1fuj s HIS 40 N 0.09 2.15 0.00 7.33 2.46 -1.26 -2.48 115.29 123.57 1fuj s HIS 40 Ca 0.62 0.15 0.00 0.00 0.47 0.00 0.00 55.06 56.30 1fuj s HIS 40 Cb 0.26 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.69 1fuj s HIS 40 CO -0.09 -4.22 0.00 1.97 -2.47 0.00 0.00 174.74 169.93 1fuj n PHE 41 N 6.17 0.00 -3.58 3.88 -1.74 0.60 -4.97 117.46 117.81 1fuj n PHE 41 Ca 0.17 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.94 1fuj n PHE 41 Cb 0.41 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.36 1fuj n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fuj s GLY 43 N -2.54 1.85 0.25 0.00 0.00 0.77 -0.09 107.32 107.55 1fuj s GLY 43 Ca 0.00 -1.53 -0.22 0.00 0.00 0.00 0.00 44.72 42.98 1fuj s GLY 43 CO -0.09 -1.22 0.75 -0.32 0.00 0.00 0.00 173.10 172.22 1fuj s GLY 44 N -4.46 -0.15 -0.06 0.20 0.00 -1.11 -3.54 107.32 98.20 1fuj s GLY 44 Ca 0.58 -0.18 -0.00 0.00 0.00 0.00 0.00 44.72 45.12 1fuj s GLY 44 CO 0.38 -0.06 -0.02 -1.59 0.00 0.00 0.00 173.10 171.81 1fuj s THR 45 N -3.80 0.46 -0.36 0.90 2.01 0.13 -1.53 115.64 113.46 1fuj s THR 45 Ca 0.11 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 1fuj s THR 45 Cb -0.05 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.91 1fuj s THR 45 CO 0.05 0.25 1.28 -0.22 -0.69 0.00 0.00 174.62 175.29 1fuj s LEU 46 N 1.58 3.77 0.00 4.42 2.96 0.55 0.16 118.68 132.12 1fuj s LEU 46 Ca -0.01 0.97 0.13 0.00 -0.22 0.00 0.00 54.13 55.00 1fuj s LEU 46 Cb -0.13 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.10 1fuj s LEU 46 CO -0.04 -1.18 0.87 2.30 -1.32 0.00 0.00 176.35 176.99 1fuj n ILE 47 N 6.50 0.00 -3.51 6.68 -6.64 -0.57 -2.28 119.36 119.53 1fuj n ILE 47 Ca 0.14 -0.48 -0.10 0.00 -1.77 0.00 0.00 62.75 60.55 1fuj n ILE 47 Cb 0.47 1.25 -0.03 0.00 -1.44 0.00 0.00 39.64 39.89 1fuj n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.77 0.00 0.00 176.55 172.50 1fuj s HIS 48 N -1.15 -0.39 0.53 4.28 5.04 -1.08 -4.72 115.29 117.79 1fuj s HIS 48 Ca 0.14 0.34 0.22 0.00 -1.54 0.00 0.00 55.06 54.23 1fuj s HIS 48 Cb 0.11 0.52 1.36 0.00 0.04 0.00 0.00 32.58 34.60 1fuj s HIS 48 CO 0.19 -0.55 2.04 -1.35 -2.34 0.00 0.00 174.74 172.73 1fuj h PRO 49 N 2.15 0.00 -0.00 2.88 0.11 -1.94 -2.71 132.00 132.48 1fuj h PRO 49 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1fuj h PRO 49 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1fuj h PRO 49 CO 0.32 0.00 -0.85 0.43 -0.21 0.00 0.00 178.00 177.70 1fuj n SER 50 N -4.43 1.15 -4.09 -2.05 7.64 -1.26 -0.67 113.62 109.91 1fuj n SER 50 Ca 0.06 -1.07 -0.27 0.00 1.01 0.00 0.00 58.87 58.59 1fuj n SER 50 Cb 0.44 0.90 -0.17 0.00 -1.01 0.00 0.00 64.21 64.37 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 -2.78 1.88 -0.11 1.43 0.40 -1.02 0.68 117.98 118.45 1fuj s PHE 51 Ca 0.10 -0.74 -0.03 0.00 -0.60 0.00 0.00 56.93 55.65 1fuj s PHE 51 Cb 0.16 -1.32 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 1fuj s PHE 51 CO 0.77 -0.34 -0.01 0.08 0.70 0.00 0.00 175.22 176.41 1fuj s VAL 52 N 0.57 4.18 -0.21 -0.44 1.01 -0.78 -1.51 120.40 123.22 1fuj s VAL 52 Ca -0.16 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1fuj s VAL 52 Cb -0.17 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1fuj s VAL 52 CO 0.05 0.56 0.23 -0.22 0.00 0.00 0.00 175.10 175.72 1fuj s LEU 53 N -0.39 4.16 0.00 3.92 2.96 0.42 -1.48 118.68 128.26 1fuj s LEU 53 Ca 0.07 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1fuj s LEU 53 Cb -0.12 -2.23 -0.00 0.00 0.50 0.00 0.00 46.19 44.34 1fuj s LEU 53 CO 0.02 0.06 0.36 1.07 -1.32 0.00 0.00 176.35 176.53 1fuj n THR 54 N 4.07 0.00 -3.30 3.68 5.66 -0.62 0.22 114.28 123.99 1fuj n THR 54 Ca -0.13 -1.56 -0.35 0.00 -3.05 0.00 0.00 64.05 58.96 1fuj n THR 54 Cb 0.52 0.91 -0.06 0.00 -1.55 0.00 0.00 70.33 70.15 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 -2.67 3.53 0.17 1.79 0.00 -1.26 0.01 121.76 123.33 1fuj s ALA 55 Ca 0.25 -0.07 0.26 0.00 0.00 0.00 0.00 51.96 52.40 1fuj s ALA 55 Cb -0.00 -2.59 1.04 0.00 0.00 0.00 0.00 23.12 21.57 1fuj s ALA 55 CO 0.18 0.43 1.88 0.00 0.00 0.00 0.00 175.76 178.24 1fuj h ALA 56 N 3.45 1.05 0.00 0.00 0.00 -1.74 -2.50 119.26 119.52 1fuj h ALA 56 Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1fuj h ALA 56 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1fuj h ALA 56 CO 0.66 0.23 0.00 -2.39 0.00 0.00 0.00 179.25 177.75 1fuj n HIS 57 N -3.39 0.00 0.07 0.00 1.44 -1.26 -3.15 115.22 108.94 1fuj n HIS 57 Ca -0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 1fuj n HIS 57 Cb 0.39 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.37 1fuj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fuj n LEU 59 N -3.42 5.80 -0.02 0.00 4.77 -1.19 -4.50 117.00 118.44 1fuj n LEU 59 Ca -0.09 -3.64 -0.00 0.00 -0.03 0.00 0.00 56.01 52.24 1fuj n LEU 59 Cb 1.01 -0.76 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1fuj n LEU 59 CO 0.50 1.11 -0.03 -0.09 -1.33 0.00 0.00 177.39 177.56 1fuj h ARG 60 N 1.10 0.00 0.46 3.23 2.43 -1.66 -3.40 114.38 116.54 1fuj h ARG 60 Ca 0.47 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.63 1fuj h ARG 60 Cb 2.42 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.95 1fuj h ARG 60 CO 0.84 0.00 -0.50 -0.44 -1.51 0.00 0.00 179.97 178.36 1fuj h ASP 61 N -0.34 -1.39 -4.29 -3.80 3.32 -1.82 -3.44 116.42 104.66 1fuj h ASP 61 Ca 0.00 0.11 -0.50 0.00 0.02 0.00 0.00 57.03 56.67 1fuj h ASP 61 Cb 0.04 0.46 0.05 0.00 0.22 0.00 0.00 39.33 40.10 1fuj h ASP 61 CO 0.00 -0.65 0.40 0.27 -1.72 0.00 0.00 179.24 177.54 1fuj s ILE 62 N -5.77 4.52 -0.04 0.35 -5.25 -1.26 -5.08 121.20 108.67 1fuj s ILE 62 Ca -0.17 0.97 -0.02 0.00 -0.99 0.00 0.00 60.65 60.43 1fuj s ILE 62 Cb 0.04 -3.74 -0.04 0.00 2.95 0.00 0.00 42.46 41.67 1fuj s ILE 62 CO 0.59 -0.93 0.10 -2.16 -1.79 0.00 0.00 174.94 170.75 1fuj s PRO 63 N -4.73 3.20 0.61 0.37 0.04 -1.26 -4.78 135.00 128.45 1fuj s PRO 63 Ca 0.57 -0.37 0.31 0.00 0.04 0.00 0.00 61.00 61.55 1fuj s PRO 63 Cb -0.11 -2.96 1.77 0.00 0.04 0.00 0.00 34.50 33.24 1fuj s PRO 63 CO 0.46 0.69 2.14 -0.56 0.04 0.00 0.00 177.00 179.76 1fuj h GLN 63 N 4.40 0.00 0.00 4.56 3.07 -1.97 -2.72 115.11 122.45 1fuj h GLN 63 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.23 1fuj h GLN 63 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1fuj h GLN 63 CO 0.61 0.00 0.00 -2.13 0.09 0.00 0.00 178.83 177.40 1fuj n ARG 63 N -3.63 0.55 -0.01 0.06 0.63 -1.26 -2.93 116.66 110.07 1fuj n ARG 63 Ca 0.00 0.03 0.03 0.00 -0.92 0.00 0.00 57.85 57.00 1fuj n ARG 63 Cb 0.27 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.71 1fuj n ARG 63 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1fuj n LEU 63 N -1.14 1.64 -4.67 6.15 4.32 -1.02 -4.95 117.00 117.33 1fuj n LEU 63 Ca 0.15 -1.12 -0.39 0.00 -0.02 0.00 0.00 56.01 54.62 1fuj n LEU 63 Cb 0.14 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 41.86 1fuj n LEU 63 CO 0.16 0.35 0.28 -0.69 -1.22 0.00 0.00 177.39 176.28 1fuj s VAL 64 N -0.58 5.08 -0.25 4.08 1.01 -1.15 0.62 120.40 129.21 1fuj s VAL 64 Ca 0.08 1.04 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 1fuj s VAL 64 Cb 0.05 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1fuj s VAL 64 CO 0.08 0.17 -0.01 0.21 0.00 0.00 0.00 175.10 175.55 1fuj s ASN 65 N 1.12 4.58 -0.55 3.32 3.04 0.16 -4.01 114.94 122.59 1fuj s ASN 65 Ca 0.26 -0.64 -0.19 0.00 0.04 0.00 0.00 52.86 52.33 1fuj s ASN 65 Cb -0.16 -1.76 0.09 0.00 -1.54 0.00 0.00 41.25 37.88 1fuj s ASN 65 CO 0.10 -0.11 0.65 -0.69 -3.04 0.00 0.00 177.10 174.02 1fuj s VAL 66 N 1.44 4.87 -0.27 -5.21 1.01 -0.63 0.27 120.40 121.88 1fuj s VAL 66 Ca 0.03 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 1fuj s VAL 66 Cb -0.16 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1fuj s VAL 66 CO -0.02 -0.98 0.50 -0.69 0.00 0.00 0.00 175.10 173.92 1fuj s VAL 67 N 2.59 5.07 0.58 2.92 1.01 -0.46 -0.25 120.40 131.85 1fuj s VAL 67 Ca 0.12 0.80 0.10 0.00 0.00 0.00 0.00 61.98 63.00 1fuj s VAL 67 Cb -0.23 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.41 1fuj s VAL 67 CO 0.08 0.06 0.78 -0.76 0.00 0.00 0.00 175.10 175.27 1fuj s LEU 68 N 2.30 3.08 -1.24 3.92 1.43 0.14 -2.35 118.68 125.96 1fuj s LEU 68 Ca 0.20 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1fuj s LEU 68 Cb -0.16 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1fuj s LEU 68 CO 0.10 -1.35 0.00 0.61 0.23 0.00 0.00 176.35 175.94 1fuj n GLY 69 N -2.24 1.11 3.92 -3.19 0.00 -1.23 -2.84 105.19 100.73 1fuj n GLY 69 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.95 3.50 0.28 4.61 0.00 -1.26 -3.79 121.76 123.16 1fuj s ALA 70 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1fuj s ALA 70 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1fuj s ALA 70 CO 0.00 -0.33 0.00 1.58 0.00 0.00 0.00 175.76 177.01 1fuj n HIS 71 N -2.17 -2.40 -3.38 0.00 -0.00 -1.26 -4.67 115.22 101.35 1fuj n HIS 71 Ca -0.00 0.42 -0.40 0.00 0.46 0.00 0.00 57.72 58.20 1fuj n HIS 71 Cb 0.56 0.54 -0.09 0.00 -0.12 0.00 0.00 29.99 30.88 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 -5.09 6.21 0.37 0.26 3.84 -1.26 -1.70 114.94 117.56 1fuj s ASN 72 Ca 0.00 -0.11 0.19 0.00 0.21 0.00 0.00 52.86 53.16 1fuj s ASN 72 Cb 0.00 -2.21 0.27 0.00 -0.55 0.00 0.00 41.25 38.76 1fuj s ASN 72 CO 0.00 -0.33 1.55 -0.37 -2.79 0.00 0.00 177.10 175.17 1fuj h VAL 73 N 5.52 0.45 -0.18 -5.21 -1.51 -1.00 -3.25 116.25 111.08 1fuj h VAL 73 Ca -0.30 -1.58 -0.11 0.00 -1.23 0.00 0.00 66.70 63.48 1fuj h VAL 73 Cb 1.14 2.18 -0.01 0.00 -2.13 0.00 0.00 31.29 32.47 1fuj h VAL 73 CO 0.69 0.25 -0.36 0.03 -1.23 0.00 0.00 177.57 176.95 1fuj h ARG 74 N 0.00 0.37 -7.32 5.19 3.08 -1.85 -3.34 114.38 110.51 1fuj h ARG 74 Ca -0.00 -0.17 -0.47 0.00 0.07 0.00 0.00 59.98 59.41 1fuj h ARG 74 Cb 1.16 -0.01 0.08 0.00 0.08 0.00 0.00 29.97 31.27 1fuj h ARG 74 CO 0.03 0.68 0.27 0.99 -1.07 0.00 0.00 179.97 180.88 1fuj s THR 75 N -4.27 2.81 -0.88 2.04 2.01 -1.23 -4.55 115.64 111.56 1fuj s THR 75 Ca -0.06 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 1fuj s THR 75 Cb 0.13 -3.20 0.23 0.00 0.01 0.00 0.00 72.50 69.67 1fuj s THR 75 CO 0.79 -0.23 0.82 -1.10 -0.69 0.00 0.00 174.62 174.21 1fuj s GLN 76 N -5.24 3.63 0.14 4.92 -0.21 -1.26 -4.90 119.66 116.74 1fuj s GLN 76 Ca 0.58 -2.72 -0.10 0.00 0.02 0.00 0.00 55.36 53.15 1fuj s GLN 76 Cb -0.11 -4.36 -0.06 0.00 1.00 0.00 0.00 33.01 29.48 1fuj s GLN 76 CO 0.47 -1.26 0.47 -1.21 -2.12 0.00 0.00 175.29 171.63 1fuj s GLU 77 N -0.32 3.80 0.00 2.91 2.02 -1.26 -4.98 118.70 120.86 1fuj s GLU 77 Ca 0.22 0.23 0.24 0.00 0.02 0.00 0.00 54.97 55.67 1fuj s GLU 77 Cb -0.11 -2.87 1.18 0.00 0.10 0.00 0.00 34.13 32.43 1fuj s GLU 77 CO -0.08 0.47 1.78 -2.30 0.02 0.00 0.00 175.26 175.14 1fuj n PRO 78 N 0.49 0.31 0.08 0.39 -0.02 -1.26 -2.41 135.00 132.59 1fuj n PRO 78 Ca -0.04 0.06 0.11 0.00 -2.02 0.00 0.00 63.50 61.62 1fuj n PRO 78 Cb 0.52 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.48 1fuj n PRO 78 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1fuj n THR 79 N -1.30 0.49 -2.23 3.45 -2.24 -1.26 -4.96 114.28 106.23 1fuj n THR 79 Ca 0.11 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 1fuj n THR 79 Cb 0.20 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 1fuj n THR 79 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fuj s GLN 80 N -3.37 4.34 -0.15 -0.78 -0.21 -1.01 -4.21 119.66 114.26 1fuj s GLN 80 Ca -0.01 2.00 0.00 0.00 0.02 0.00 0.00 55.36 57.36 1fuj s GLN 80 Cb 0.11 -3.33 -0.01 0.00 1.00 0.00 0.00 33.01 30.78 1fuj s GLN 80 CO 0.81 -0.43 -0.14 -0.65 -2.12 0.00 0.00 175.29 172.76 1fuj s GLN 81 N 1.34 3.28 -0.11 2.91 -0.21 -1.13 -4.94 119.66 120.79 1fuj s GLN 81 Ca 0.63 -0.73 -0.03 0.00 0.02 0.00 0.00 55.36 55.26 1fuj s GLN 81 Cb -0.34 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.00 1fuj s GLN 81 CO 0.29 0.08 -0.00 -1.01 -2.12 0.00 0.00 175.29 172.54 1fuj s HIS 82 N 0.66 3.14 0.23 0.91 3.76 -1.26 0.25 115.29 122.98 1fuj s HIS 82 Ca -0.07 0.10 0.04 0.00 -0.15 0.00 0.00 55.06 54.98 1fuj s HIS 82 Cb -0.16 -1.84 -0.05 0.00 1.11 0.00 0.00 32.58 31.64 1fuj s HIS 82 CO 0.02 0.36 -0.02 -0.06 -0.85 0.00 0.00 174.74 174.19 1fuj s PHE 83 N -0.57 1.57 0.29 1.40 0.40 0.66 -4.96 117.98 116.77 1fuj s PHE 83 Ca 0.09 -0.88 0.11 0.00 -0.60 0.00 0.00 56.93 55.65 1fuj s PHE 83 Cb -0.12 -0.90 -0.05 0.00 0.51 0.00 0.00 43.02 42.46 1fuj s PHE 83 CO 0.02 0.01 -0.10 -1.12 0.70 0.00 0.00 175.22 174.73 1fuj s SER 84 N -3.31 3.99 -0.33 1.36 0.01 -1.26 -1.60 113.70 112.57 1fuj s SER 84 Ca 0.27 -0.92 -0.21 0.00 1.31 0.00 0.00 55.95 56.41 1fuj s SER 84 Cb 0.05 -0.51 -0.00 0.00 0.21 0.00 0.00 66.02 65.77 1fuj s SER 84 CO 0.08 -0.03 0.65 -0.69 0.41 0.00 0.00 173.24 173.65 1fuj s VAL 85 N -2.46 4.90 -0.06 3.43 1.01 -1.26 -0.80 120.40 125.17 1fuj s VAL 85 Ca 0.31 0.76 0.13 0.00 0.00 0.00 0.00 61.98 63.18 1fuj s VAL 85 Cb -0.04 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 1fuj s VAL 85 CO 0.17 -0.23 1.11 0.00 0.00 0.00 0.00 175.10 176.15 1fuj h ALA 86 N 8.31 0.61 -1.13 5.51 0.00 -1.49 -3.46 119.26 127.61 1fuj h ALA 86 Ca -0.26 -0.83 0.37 0.00 0.00 0.00 0.00 54.91 54.18 1fuj h ALA 86 Cb 1.11 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 1fuj h ALA 86 CO 0.82 1.01 0.95 -0.65 0.00 0.00 0.00 179.25 181.38 1fuj s GLN 87 N -2.83 0.11 0.04 0.00 -0.21 -1.23 -4.99 119.66 110.55 1fuj s GLN 87 Ca -0.00 -0.06 -0.00 0.00 0.02 0.00 0.00 55.36 55.32 1fuj s GLN 87 Cb 0.09 0.04 -0.03 0.00 1.00 0.00 0.00 33.01 34.11 1fuj s GLN 87 CO 0.79 -0.05 -0.03 0.14 -2.12 0.00 0.00 175.29 174.02 1fuj s VAL 88 N -2.13 0.18 -0.03 1.09 -7.23 -1.26 -2.16 120.40 108.86 1fuj s VAL 88 Ca 0.14 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 1fuj s VAL 88 Cb 0.05 -0.86 0.01 0.00 0.56 0.00 0.00 36.38 36.14 1fuj s VAL 88 CO -0.05 -0.73 -0.09 -0.36 -0.31 0.00 0.00 175.10 173.56 1fuj s PHE 89 N -2.60 0.96 0.31 2.82 0.40 -0.13 -4.98 117.98 114.76 1fuj s PHE 89 Ca -0.05 -0.25 0.08 0.00 -0.60 0.00 0.00 56.93 56.11 1fuj s PHE 89 Cb -0.02 -0.70 -0.06 0.00 0.51 0.00 0.00 43.02 42.75 1fuj s PHE 89 CO -0.05 -0.12 -0.07 -0.51 0.70 0.00 0.00 175.22 175.17 1fuj s LEU 90 N 0.28 2.59 -0.46 -0.37 1.02 -1.26 -1.70 118.68 118.78 1fuj s LEU 90 Ca -0.05 -1.20 0.08 0.00 0.02 0.00 0.00 54.13 52.98 1fuj s LEU 90 Cb -0.09 -0.80 0.25 0.00 0.02 0.00 0.00 46.19 45.57 1fuj s LEU 90 CO 0.01 -0.28 0.59 -3.20 0.02 0.00 0.00 176.35 173.49 1fuj n ASN 92 N -0.68 1.20 -3.40 2.29 4.05 -1.26 -4.95 115.26 112.52 1fuj n ASN 92 Ca -0.05 -2.91 -0.20 0.00 0.45 0.00 0.00 54.58 51.87 1fuj n ASN 92 Cb 0.63 -0.65 0.05 0.00 1.23 0.00 0.00 39.78 41.05 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 1.20 -6.26 -4.74 1.20 5.03 -1.26 -4.78 115.26 105.65 1fuj n ASN 93 Ca 0.24 -0.77 -0.41 0.00 0.87 0.00 0.00 54.58 54.51 1fuj n ASN 93 Cb 0.50 -4.49 -0.03 0.00 -1.02 0.00 0.00 39.78 34.74 1fuj n ASN 93 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1fuj s TYR 94 N -3.37 3.27 -0.37 3.10 5.04 -1.26 -4.51 117.35 119.25 1fuj s TYR 94 Ca 0.41 1.24 0.03 0.00 -2.44 0.00 0.00 57.07 56.31 1fuj s TYR 94 Cb -0.09 -3.59 0.10 0.00 0.35 0.00 0.00 41.96 38.73 1fuj s TYR 94 CO 0.79 -1.83 0.10 0.34 -1.34 0.00 0.00 175.55 173.61 1fuj s ASP 95 N 0.32 4.85 0.49 4.32 -1.08 0.41 -4.95 116.67 121.03 1fuj s ASP 95 Ca 0.56 -2.19 0.28 0.00 -0.52 0.00 0.00 52.55 50.68 1fuj s ASP 95 Cb -0.36 -1.67 1.05 0.00 -1.46 0.00 0.00 42.92 40.48 1fuj s ASP 95 CO 0.38 -0.40 1.87 0.00 0.52 0.00 0.00 175.17 177.54 1fuj h ALA 96 N 7.63 1.00 0.46 3.66 0.00 -1.95 1.42 119.26 131.48 1fuj h ALA 96 Ca -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1fuj h ALA 96 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1fuj h ALA 96 CO 0.57 0.12 -0.22 1.49 0.00 0.00 0.00 179.25 181.21 1fuj h GLU 97 N 0.00 -0.59 -0.02 0.00 4.57 -1.95 -3.32 114.58 113.27 1fuj h GLU 97 Ca -0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1fuj h GLU 97 Cb 0.67 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1fuj h GLU 97 CO 0.01 -0.32 -0.05 0.09 -1.18 0.00 0.00 179.01 177.56 1fuj n ASN 98 N -5.20 1.78 -3.10 1.04 3.02 -1.18 -4.95 115.26 106.67 1fuj n ASN 98 Ca -0.09 -1.53 -0.14 0.00 -0.03 0.00 0.00 54.58 52.79 1fuj n ASN 98 Cb 0.28 0.04 0.07 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.31 -4.73 -4.55 3.52 5.02 0.45 -5.01 118.16 113.17 1fuj n LYS 99 Ca 0.17 0.75 -0.31 0.00 -2.02 0.00 0.00 58.31 56.90 1fuj n LYS 99 Cb 0.41 -5.40 -0.12 0.00 -0.02 0.00 0.00 35.03 29.90 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 -5.61 2.77 -1.36 -0.35 1.43 0.11 -4.67 118.68 111.00 1fuj s LEU 100 Ca 0.11 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1fuj s LEU 100 Cb -0.01 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.62 1fuj s LEU 100 CO 0.64 0.25 0.98 0.59 0.23 0.00 0.00 176.35 179.04 1fuj n ASN 101 N 1.41 -3.84 -3.79 2.29 3.02 -1.26 0.16 115.26 113.25 1fuj n ASN 101 Ca -0.16 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.28 1fuj n ASN 101 Cb 0.52 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.19 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 -3.00 4.20 -3.89 6.41 2.03 -1.26 -4.24 116.55 116.80 1fuj n ASP 102 Ca -0.12 -2.91 -0.16 0.00 0.52 0.00 0.00 54.79 52.13 1fuj n ASP 102 Cb 0.60 -1.62 -0.15 0.00 -0.72 0.00 0.00 41.12 39.23 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 2.51 0.27 -0.05 5.18 2.07 -1.26 -3.85 121.20 126.08 1fuj s ILE 103 Ca 0.45 -0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.60 1fuj s ILE 103 Cb 0.13 -0.28 0.03 0.00 0.13 0.00 0.00 42.46 42.46 1fuj s ILE 103 CO -0.06 0.11 0.10 -0.22 -1.91 0.00 0.00 174.94 172.96 1fuj s LEU 104 N 0.35 1.05 -0.25 8.50 2.96 0.10 -4.21 118.68 127.18 1fuj s LEU 104 Ca -0.03 0.20 -0.11 0.00 -0.22 0.00 0.00 54.13 53.97 1fuj s LEU 104 Cb -0.06 0.24 -0.05 0.00 0.50 0.00 0.00 46.19 46.81 1fuj s LEU 104 CO -0.01 -0.11 0.19 -0.76 -1.32 0.00 0.00 176.35 174.34 1fuj s LEU 105 N 0.87 4.08 -0.24 -0.68 1.43 -0.69 -1.59 118.68 121.86 1fuj s LEU 105 Ca -0.07 0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.05 1fuj s LEU 105 Cb -0.09 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1fuj s LEU 105 CO -0.04 0.01 0.10 -0.63 0.23 0.00 0.00 176.35 176.03 1fuj s ILE 106 N 1.33 4.78 -0.21 -0.59 1.01 -0.55 -0.96 121.20 126.00 1fuj s ILE 106 Ca 0.08 -0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.49 1fuj s ILE 106 Cb -0.14 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1fuj s ILE 106 CO 0.07 0.35 0.71 -1.58 0.00 0.00 0.00 174.94 174.49 1fuj s GLN 107 N 1.25 4.20 0.53 2.79 0.74 -0.92 -1.86 119.66 126.40 1fuj s GLN 107 Ca 0.06 0.74 -0.18 0.00 0.05 0.00 0.00 55.36 56.03 1fuj s GLN 107 Cb -0.14 -3.61 -0.06 0.00 1.10 0.00 0.00 33.01 30.30 1fuj s GLN 107 CO 0.05 -0.35 1.04 -0.51 -0.55 0.00 0.00 175.29 174.97 1fuj s LEU 108 N 2.28 3.68 0.54 3.68 1.43 0.21 -1.44 118.68 129.06 1fuj s LEU 108 Ca 0.31 1.85 0.21 0.00 -1.03 0.00 0.00 54.13 55.47 1fuj s LEU 108 Cb -0.16 -4.54 1.47 0.00 0.03 0.00 0.00 46.19 42.99 1fuj s LEU 108 CO 0.10 -0.93 2.18 0.77 0.23 0.00 0.00 176.35 178.70 1fuj h SER 109 N 1.02 0.00 -5.06 2.29 4.64 -1.30 -3.42 113.55 111.72 1fuj h SER 109 Ca -0.48 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.74 1fuj h SER 109 Cb 1.22 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.14 1fuj h SER 109 CO 0.59 0.01 -0.26 -0.94 -0.87 0.00 0.00 176.83 175.35 1fuj s SER 110 N -6.72 -0.10 0.52 4.97 1.04 -1.26 -5.00 113.70 107.15 1fuj s SER 110 Ca -0.05 -0.23 -0.21 0.00 0.48 0.00 0.00 55.95 55.94 1fuj s SER 110 Cb 0.16 0.35 -0.06 0.00 0.10 0.00 0.00 66.02 66.58 1fuj s SER 110 CO 0.62 -0.62 1.20 -2.84 0.98 0.00 0.00 173.24 172.59 1fuj s PRO 111 N -2.61 3.39 0.42 4.02 0.02 -1.26 -4.78 135.00 134.20 1fuj s PRO 111 Ca -0.05 1.84 -0.16 0.00 0.02 0.00 0.00 61.00 62.66 1fuj s PRO 111 Cb -0.01 -2.20 -0.08 0.00 0.02 0.00 0.00 34.50 32.23 1fuj s PRO 111 CO -0.04 -0.87 0.86 0.00 -0.33 0.00 0.00 177.00 176.62 1fuj s ALA 112 N -1.55 3.20 -0.52 -1.55 0.00 0.15 -4.96 121.76 116.53 1fuj s ALA 112 Ca 0.70 0.10 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 1fuj s ALA 112 Cb -0.30 -2.93 0.04 0.00 0.00 0.00 0.00 23.12 19.93 1fuj s ALA 112 CO 0.35 0.05 0.80 -0.80 0.00 0.00 0.00 175.76 176.16 1fuj s ASN 113 N -2.69 6.31 -0.48 0.00 0.02 -1.26 -4.88 114.94 111.96 1fuj s ASN 113 Ca 0.56 -0.49 -0.27 0.00 -1.02 0.00 0.00 52.86 51.64 1fuj s ASN 113 Cb -0.10 -2.38 -0.04 0.00 0.02 0.00 0.00 41.25 38.76 1fuj s ASN 113 CO 0.24 -1.05 2.04 -0.76 0.02 0.00 0.00 177.10 177.59 1fuj s LEU 114 N 3.38 3.38 0.00 0.60 1.43 -1.26 -4.77 118.68 121.44 1fuj s LEU 114 Ca 0.25 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1fuj s LEU 114 Cb -0.15 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1fuj s LEU 114 CO 0.17 -2.36 0.00 -1.54 0.23 0.00 0.00 176.35 172.86 1fuj n SER 115 N 13.11 1.38 -0.14 2.29 3.41 -0.59 -4.98 113.62 128.10 1fuj n SER 115 Ca 0.27 -0.13 -0.09 0.00 -0.26 0.00 0.00 58.87 58.65 1fuj n SER 115 Cb 0.51 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.44 0.83 -0.54 7.33 0.00 -2.00 -3.23 119.26 122.09 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 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1fuj h ALA 116 CO 0.00 0.65 0.00 0.43 0.00 0.00 0.00 179.25 180.33 1fuj n SER 117 N -4.13 3.57 -3.62 0.00 7.64 -1.26 -4.83 113.62 110.99 1fuj n SER 117 Ca 0.01 -1.98 -0.26 0.00 1.01 0.00 0.00 58.87 57.66 1fuj n SER 117 Cb 0.41 -0.36 -0.17 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.14 -0.06 0.09 0.44 1.01 -1.22 -3.47 120.40 116.05 1fuj s VAL 118 Ca 0.40 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1fuj s VAL 118 Cb 0.22 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1fuj s VAL 118 CO 0.29 -0.23 0.21 0.00 0.00 0.00 0.00 175.10 175.37 1fuj s ALA 119 N 2.13 -0.30 0.82 5.51 0.00 -0.57 -1.54 121.76 127.81 1fuj s ALA 119 Ca 0.02 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 1fuj s ALA 119 Cb -0.16 0.49 0.15 0.00 0.00 0.00 0.00 23.12 23.60 1fuj s ALA 119 CO -0.08 -0.51 1.13 0.95 0.00 0.00 0.00 175.76 177.25 1fuj s THR 120 N -3.78 2.10 0.06 0.00 -4.23 -1.26 -2.82 115.64 105.70 1fuj s THR 120 Ca 0.04 -0.29 0.04 0.00 -1.18 0.00 0.00 61.69 60.30 1fuj s THR 120 Cb 0.04 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 1fuj s THR 120 CO -0.11 0.00 -0.12 0.54 -0.54 0.00 0.00 174.62 174.39 1fuj s VAL 121 N -3.47 0.90 0.44 2.29 0.11 -0.97 -4.71 120.40 115.00 1fuj s VAL 121 Ca 0.68 -1.17 -0.21 0.00 -2.93 0.00 0.00 61.98 58.36 1fuj s VAL 121 Cb -0.06 -0.89 -0.10 0.00 -1.53 0.00 0.00 36.38 33.80 1fuj s VAL 121 CO 0.48 -0.24 0.97 -1.58 -3.33 0.00 0.00 175.10 171.40 1fuj s GLN 122 N -1.58 4.13 0.32 1.54 0.74 -1.26 -4.69 119.66 118.85 1fuj s GLN 122 Ca -0.04 1.19 0.02 0.00 0.05 0.00 0.00 55.36 56.57 1fuj s GLN 122 Cb -0.10 -2.17 -0.03 0.00 1.10 0.00 0.00 33.01 31.81 1fuj s GLN 122 CO 0.01 -0.12 0.50 -0.51 -0.55 0.00 0.00 175.29 174.62 1fuj s LEU 123 N -3.23 4.10 0.89 3.68 1.43 -1.26 -2.34 118.68 121.94 1fuj s LEU 123 Ca 0.63 0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.95 1fuj s LEU 123 Cb -0.11 -3.20 0.13 0.00 0.03 0.00 0.00 46.19 43.05 1fuj s LEU 123 CO 0.15 -0.23 1.20 -2.84 0.23 0.00 0.00 176.35 174.86 1fuj s PRO 124 N -4.20 1.27 0.43 1.29 0.02 -1.26 -4.90 135.00 127.66 1fuj s PRO 124 Ca 0.38 0.01 -0.07 0.00 0.02 0.00 0.00 61.00 61.34 1fuj s PRO 124 Cb -0.09 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1fuj s PRO 124 CO 0.34 -2.05 0.76 -1.14 -0.33 0.00 0.00 177.00 174.57 1fuj s GLN 125 N -5.58 3.64 0.22 5.54 2.00 -1.26 -4.89 119.66 119.33 1fuj s GLN 125 Ca 0.66 0.28 -0.31 0.00 -2.00 0.00 0.00 55.36 53.99 1fuj s GLN 125 Cb -0.10 -2.41 -0.10 0.00 0.80 0.00 0.00 33.01 31.20 1fuj s GLN 125 CO 0.51 -0.10 1.54 -1.14 -0.50 0.00 0.00 175.29 175.60 1fuj s GLN 126 N -4.28 4.21 -0.32 1.67 2.00 -1.26 -2.68 119.66 119.00 1fuj s GLN 126 Ca 0.48 2.40 0.00 0.00 -2.00 0.00 0.00 55.36 56.24 1fuj s GLN 126 Cb -0.10 -3.11 0.00 0.00 0.80 0.00 0.00 33.01 30.60 1fuj s GLN 126 CO 0.38 -0.56 0.00 -0.25 -0.50 0.00 0.00 175.29 174.36 1fuj n ASP 127 N 3.09 -5.02 -4.72 6.67 8.00 -0.09 -4.96 116.55 119.52 1fuj n ASP 127 Ca 0.11 0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.26 1fuj n ASP 127 Cb 0.39 -2.79 -0.03 0.00 -0.02 0.00 0.00 41.12 38.67 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 -1.77 4.29 0.48 -1.24 0.74 -1.09 -5.00 119.66 116.06 1fuj s GLN 128 Ca 0.00 2.16 -0.19 0.00 0.05 0.00 0.00 55.36 57.38 1fuj s GLN 128 Cb 0.00 -3.21 -0.09 0.00 1.10 0.00 0.00 33.01 30.81 1fuj s GLN 128 CO 0.00 -0.47 0.98 -2.14 -0.55 0.00 0.00 175.29 173.11 1fuj s PRO 129 N 0.99 4.02 -0.28 1.67 0.02 -1.26 -4.79 135.00 135.37 1fuj s PRO 129 Ca 0.65 1.09 -0.01 0.00 0.02 0.00 0.00 61.00 62.75 1fuj s PRO 129 Cb -0.39 -2.14 0.09 0.00 0.02 0.00 0.00 34.50 32.08 1fuj s PRO 129 CO 0.31 -0.21 0.08 0.08 -0.33 0.00 0.00 177.00 176.93 1fuj s VAL 130 N -2.34 0.73 0.66 3.83 1.01 -1.26 -5.13 120.40 117.90 1fuj s VAL 130 Ca 0.61 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1fuj s VAL 130 Cb -0.11 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1fuj s VAL 130 CO 0.22 -0.56 1.05 -2.84 0.00 0.00 0.00 175.10 172.97 1fuj s PRO 131 N 1.71 3.27 0.24 2.72 0.02 -1.26 -4.94 135.00 136.76 1fuj s PRO 131 Ca 0.07 0.75 -0.31 0.00 0.02 0.00 0.00 61.00 61.53 1fuj s PRO 131 Cb -0.17 -2.04 -0.12 0.00 0.02 0.00 0.00 34.50 32.18 1fuj s PRO 131 CO -0.22 -0.81 1.64 1.58 -0.33 0.00 0.00 177.00 178.87 1fuj n HIS 132 N -2.91 2.72 0.00 6.54 -0.00 -1.26 -1.40 115.22 118.91 1fuj n HIS 132 Ca 0.07 0.17 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 1fuj n HIS 132 Cb 0.54 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 1fuj n HIS 132 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1fuj n GLY 133 N 3.11 2.23 3.73 1.57 0.00 0.44 -4.97 105.19 111.30 1fuj n GLY 133 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1fuj n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fuj s THR 134 N -2.58 2.46 -0.14 2.61 2.01 -0.49 -4.68 115.64 114.82 1fuj s THR 134 Ca 0.00 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 1fuj s THR 134 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1fuj s THR 134 CO 0.00 0.03 0.41 -1.58 -0.69 0.00 0.00 174.62 172.80 1fuj s GLN 135 N 0.70 4.29 0.37 4.92 2.00 -1.26 -0.33 119.66 130.35 1fuj s GLN 135 Ca 0.68 0.31 0.05 0.00 -2.00 0.00 0.00 55.36 54.39 1fuj s GLN 135 Cb -0.45 -3.45 -0.03 0.00 0.80 0.00 0.00 33.01 29.88 1fuj s GLN 135 CO 0.35 0.15 0.17 0.00 -0.50 0.00 0.00 175.29 175.46 1fuj s LEU 137 N -3.51 2.12 -0.06 0.00 2.96 0.13 -0.94 118.68 119.38 1fuj s LEU 137 Ca 0.30 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1fuj s LEU 137 Cb 0.03 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 1fuj s LEU 137 CO 0.18 0.14 -0.16 0.00 -1.32 0.00 0.00 176.35 175.19 1fuj s ALA 138 N 0.45 2.56 0.07 5.97 0.00 0.11 -0.91 121.76 130.01 1fuj s ALA 138 Ca -0.16 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 1fuj s ALA 138 Cb -0.17 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1fuj s ALA 138 CO 0.06 0.48 0.08 0.00 0.00 0.00 0.00 175.76 176.39 1fuj s MET 139 N -0.46 0.72 0.00 0.00 0.23 -1.26 -0.05 119.30 118.47 1fuj s MET 139 Ca 0.06 -1.07 0.00 0.00 -1.03 0.00 0.00 55.69 53.65 1fuj s MET 139 Cb -0.12 0.27 0.00 0.00 -1.53 0.00 0.00 34.83 33.46 1fuj s MET 139 CO 0.02 -0.19 0.00 0.41 -2.03 0.00 0.00 175.02 173.23 1fuj n GLY 140 N 0.06 0.86 1.17 3.16 0.00 -0.35 -4.60 105.19 105.49 1fuj n GLY 140 Ca -0.15 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.55 1.05 -0.24 1.61 8.01 -1.26 -2.20 117.44 123.86 1fuj n TRP 141 Ca 0.00 -0.62 -0.19 0.00 -1.31 0.00 0.00 57.50 55.38 1fuj n TRP 141 Cb 0.00 -0.17 0.18 0.00 -2.01 0.00 0.00 31.31 29.31 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 0.71 -3.71 3.77 6.99 0.00 -1.23 -0.97 105.19 110.75 1fuj n GLY 142 Ca 0.21 -1.30 -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 -1.60 0.00 0.00 0.00 173.32 171.72 1fuj s ARG 143 N -4.37 4.13 0.00 1.61 6.06 0.45 -1.40 118.95 125.43 1fuj s ARG 143 Ca 0.43 2.54 0.10 0.00 -2.50 0.00 0.00 55.73 56.31 1fuj s ARG 143 Cb -0.07 -2.99 0.08 0.00 0.06 0.00 0.00 34.95 32.03 1fuj s ARG 143 CO 0.36 -0.53 0.81 1.33 -2.50 0.00 0.00 175.30 174.77 1fuj n VAL 144 N 0.91 0.00 -3.43 7.11 0.24 -1.05 -1.61 118.33 120.50 1fuj n VAL 144 Ca 0.03 -0.50 0.02 0.00 -2.04 0.00 0.00 64.34 61.85 1fuj n VAL 144 Cb 0.39 1.21 -0.05 0.00 -1.47 0.00 0.00 33.84 33.92 1fuj n VAL 144 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1fuj s GLY 145 N -0.85 0.32 0.46 7.63 0.00 -1.26 -4.21 107.32 109.41 1fuj s GLY 145 Ca 0.12 3.59 0.19 0.00 0.00 0.00 0.00 44.72 48.62 1fuj s GLY 145 CO 0.13 3.06 0.97 0.00 0.00 0.00 0.00 173.10 177.26 1fuj n ALA 146 N 3.98 0.73 -0.36 3.20 0.00 -1.26 0.15 120.51 126.96 1fuj n ALA 146 Ca -0.12 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1fuj n ALA 146 Cb 0.56 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1fuj n ALA 146 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fuj n HIS 147 N -2.74 0.00 -4.10 0.00 -0.00 -1.26 -4.96 115.22 102.15 1fuj n HIS 147 Ca 0.17 -0.23 -0.32 0.00 -0.00 0.00 0.00 57.72 57.34 1fuj n HIS 147 Cb 1.15 -0.02 -0.07 0.00 -0.00 0.00 0.00 29.99 31.05 1fuj n HIS 147 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1fuj s ASP 148 N -0.46 5.60 1.03 0.41 1.11 0.39 -5.10 116.67 119.65 1fuj s ASP 148 Ca 0.00 0.09 -0.02 0.00 0.18 0.00 0.00 52.55 52.80 1fuj s ASP 148 Cb 0.00 -1.57 0.04 0.00 1.07 0.00 0.00 42.92 42.46 1fuj s ASP 148 CO 0.00 0.24 0.13 -2.65 1.18 0.00 0.00 175.17 174.07 1fuj n PRO 150 N 0.99 -1.37 -2.10 8.23 -0.02 -1.26 -4.12 135.00 135.35 1fuj n PRO 150 Ca -0.12 -0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 60.85 1fuj n PRO 150 Cb 0.52 -0.19 -0.01 0.00 -0.02 0.00 0.00 33.50 33.80 1fuj n PRO 150 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1fuj s PRO 151 N -3.29 3.74 0.52 0.52 0.02 -1.26 -2.54 135.00 132.72 1fuj s PRO 151 Ca 0.08 0.84 -0.23 0.00 0.02 0.00 0.00 61.00 61.72 1fuj s PRO 151 Cb -0.01 -2.10 -0.06 0.00 0.02 0.00 0.00 34.50 32.35 1fuj s PRO 151 CO 0.06 -0.45 1.38 0.00 -0.33 0.00 0.00 177.00 177.67 1fuj s ALA 152 N -2.93 2.93 -0.13 -1.55 0.00 -0.15 -4.86 121.76 115.07 1fuj s ALA 152 Ca 0.57 1.37 -0.06 0.00 0.00 0.00 0.00 51.96 53.84 1fuj s ALA 152 Cb -0.11 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1fuj s ALA 152 CO 0.44 -1.34 -0.05 1.96 0.00 0.00 0.00 175.76 176.77 1fuj h GLN 153 N 1.67 0.00 -5.78 0.00 4.20 -1.92 -3.46 115.11 109.82 1fuj h GLN 153 Ca -0.51 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 57.56 1fuj h GLN 153 Cb 1.29 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.01 1fuj h GLN 153 CO 0.58 0.08 -0.46 0.14 -0.67 0.00 0.00 178.83 178.50 1fuj s VAL 154 N -1.95 5.42 -0.11 -0.54 -7.23 -1.25 -0.32 120.40 114.42 1fuj s VAL 154 Ca -0.09 0.04 -0.39 0.00 -1.81 0.00 0.00 61.98 59.73 1fuj s VAL 154 Cb 0.01 -3.51 -0.16 0.00 0.56 0.00 0.00 36.38 33.28 1fuj s VAL 154 CO 0.16 0.43 1.53 -0.11 -0.31 0.00 0.00 175.10 176.79 1fuj n LEU 155 N 1.31 1.90 -4.61 1.32 7.94 -0.69 -4.88 117.00 119.29 1fuj n LEU 155 Ca -0.14 1.10 -0.31 0.00 -1.11 0.00 0.00 56.01 55.56 1fuj n LEU 155 Cb 0.53 -1.14 -0.09 0.00 0.53 0.00 0.00 43.42 43.25 1fuj n LEU 155 CO 0.39 -0.79 -0.38 -1.10 -1.11 0.00 0.00 177.39 174.40 1fuj s GLN 156 N 2.00 2.39 0.17 1.96 -1.52 -0.93 -0.56 119.66 123.16 1fuj s GLN 156 Ca 0.92 -0.87 0.04 0.00 -1.95 0.00 0.00 55.36 53.50 1fuj s GLN 156 Cb -1.05 -2.44 -0.05 0.00 -0.22 0.00 0.00 33.01 29.26 1fuj s GLN 156 CO 0.58 0.55 -0.07 -1.83 -0.25 0.00 0.00 175.29 174.26 1fuj s GLU 157 N -1.97 1.12 -0.24 2.91 -1.05 0.82 -1.21 118.70 119.08 1fuj s GLU 157 Ca 0.21 -1.51 -0.16 0.00 -0.15 0.00 0.00 54.97 53.36 1fuj s GLU 157 Cb -0.11 -0.59 0.07 0.00 -0.44 0.00 0.00 34.13 33.05 1fuj s GLU 157 CO 0.13 0.02 0.60 -1.17 0.95 0.00 0.00 175.26 175.79 1fuj s LEU 158 N -3.20 -0.54 0.02 1.83 2.96 0.92 0.64 118.68 121.32 1fuj s LEU 158 Ca 0.20 1.27 -0.26 0.00 -0.22 0.00 0.00 54.13 55.13 1fuj s LEU 158 Cb 0.04 2.05 -0.05 0.00 0.50 0.00 0.00 46.19 48.72 1fuj s LEU 158 CO 0.03 -0.22 0.79 0.20 -1.32 0.00 0.00 176.35 175.82 1fuj s ASN 159 N 1.13 7.21 0.09 3.68 -0.87 -1.26 0.06 114.94 124.97 1fuj s ASN 159 Ca -0.06 1.45 0.02 0.00 -1.57 0.00 0.00 52.86 52.69 1fuj s ASN 159 Cb -0.06 -2.48 -0.04 0.00 -0.02 0.00 0.00 41.25 38.66 1fuj s ASN 159 CO -0.11 -0.04 -0.07 0.68 -2.57 0.00 0.00 177.10 174.99 1fuj s VAL 160 N 0.21 0.69 -0.10 1.60 -7.23 -0.11 -4.88 120.40 110.58 1fuj s VAL 160 Ca 0.40 -1.83 -0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1fuj s VAL 160 Cb -0.20 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 1fuj s VAL 160 CO 0.23 -0.81 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.26 1fuj s THR 161 N -3.33 3.70 0.01 5.32 2.01 -0.95 -1.13 115.64 121.28 1fuj s THR 161 Ca 0.09 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 1fuj s THR 161 Cb 0.03 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 1fuj s THR 161 CO -0.04 0.56 1.34 -0.69 -0.69 0.00 0.00 174.62 175.11 1fuj s VAL 162 N -0.40 3.78 0.14 3.82 1.01 0.55 -1.77 120.40 127.53 1fuj s VAL 162 Ca 0.06 1.19 0.11 0.00 0.00 0.00 0.00 61.98 63.34 1fuj s VAL 162 Cb -0.12 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1fuj s VAL 162 CO 0.02 0.02 -0.26 0.68 0.00 0.00 0.00 175.10 175.57 1fuj s VAL 163 N 2.03 2.21 -0.74 2.92 -7.23 -0.53 0.17 120.40 119.23 1fuj s VAL 163 Ca 0.62 -1.78 0.10 0.00 -1.81 0.00 0.00 61.98 59.12 1fuj s VAL 163 Cb -0.31 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 1fuj s VAL 163 CO 0.27 0.04 0.55 0.35 -0.31 0.00 0.00 175.10 176.00 1fuj n THR 164 N 0.83 0.00 -2.22 5.32 -2.24 -1.26 -3.77 114.28 110.94 1fuj n THR 164 Ca -0.17 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 1fuj n THR 164 Cb 0.54 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 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 -1.67 3.21 -1.51 4.78 -0.12 -1.26 -3.20 117.98 118.21 1fuj s PHE 165 Ca 0.06 1.43 -0.07 0.00 -0.05 0.00 0.00 56.93 58.31 1fuj s PHE 165 Cb 0.08 -3.58 0.05 0.00 -0.63 0.00 0.00 43.02 38.95 1fuj s PHE 165 CO 0.34 -1.58 0.54 0.34 -0.05 0.00 0.00 175.22 174.81 1fuj n PHE 166 N 1.31 -1.69 -4.22 3.49 7.35 -1.26 -4.81 117.46 117.63 1fuj n PHE 166 Ca 0.01 0.77 -0.13 0.00 -0.76 0.00 0.00 57.45 57.33 1fuj n PHE 166 Cb 0.43 -3.47 -0.10 0.00 0.35 0.00 0.00 39.48 36.69 1fuj n PHE 166 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1fuj s ARG 177 N -4.03 1.45 0.55 0.00 1.70 -1.26 -5.05 118.95 112.31 1fuj s ARG 177 Ca 0.39 -1.61 0.35 0.00 -0.47 0.00 0.00 55.73 54.38 1fuj s ARG 177 Cb 0.06 -1.41 1.49 0.00 -0.57 0.00 0.00 34.95 34.53 1fuj s ARG 177 CO 0.15 0.26 2.02 -1.35 -1.08 0.00 0.00 175.30 175.30 1fuj h PRO 178 N 2.62 0.00 0.00 3.89 0.11 -2.01 -2.62 132.00 133.98 1fuj h PRO 178 Ca -0.40 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 1fuj h PRO 178 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1fuj h PRO 178 CO 0.59 0.00 -0.32 1.25 -0.21 0.00 0.00 178.00 179.31 1fuj h HIS 179 N 0.00 0.00 -1.73 0.65 2.76 -1.97 -3.45 115.15 111.41 1fuj h HIS 179 Ca 0.00 0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.61 1fuj h HIS 179 Cb 0.44 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.31 1fuj h HIS 179 CO 0.00 0.32 -0.53 -0.80 -1.30 0.00 0.00 177.93 175.62 1fuj s ASN 180 N -6.50 4.47 -0.10 3.26 -0.87 -0.99 -3.52 114.94 110.69 1fuj s ASN 180 Ca -0.01 -0.97 0.03 0.00 -1.57 0.00 0.00 52.86 50.33 1fuj s ASN 180 Cb 0.12 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.25 40.78 1fuj s ASN 180 CO 0.67 -0.43 -0.19 -0.63 -2.57 0.00 0.00 177.10 173.96 1fuj s ILE 181 N -2.53 2.56 0.26 0.60 1.01 -0.70 -4.73 121.20 117.67 1fuj s ILE 181 Ca 0.39 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 60.29 1fuj s ILE 181 Cb 0.01 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1fuj s ILE 181 CO 0.22 0.55 -0.06 0.00 0.00 0.00 0.00 174.94 175.65 1fuj s THR 183 N -2.32 0.08 -0.01 0.00 -4.23 -0.94 -1.46 115.64 106.76 1fuj s THR 183 Ca 0.31 -1.47 -0.30 0.00 -1.18 0.00 0.00 61.69 59.05 1fuj s THR 183 Cb -0.06 -1.82 0.07 0.00 1.34 0.00 0.00 72.50 72.03 1fuj s THR 183 CO 0.18 -0.38 0.67 0.12 -0.54 0.00 0.00 174.62 174.67 1fuj s PHE 184 N -3.97 -0.64 -0.37 3.99 5.36 -0.73 -1.57 117.98 120.06 1fuj s PHE 184 Ca 0.17 0.98 -0.03 0.00 -0.96 0.00 0.00 56.93 57.09 1fuj s PHE 184 Cb 0.04 0.44 0.08 0.00 -0.34 0.00 0.00 43.02 43.24 1fuj s PHE 184 CO -0.01 -0.65 0.14 0.08 -1.46 0.00 0.00 175.22 173.31 1fuj s VAL 185 N -1.66 3.31 -0.57 3.12 1.01 -1.26 -2.23 120.40 122.12 1fuj s VAL 185 Ca -0.09 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.17 1fuj s VAL 185 Cb -0.00 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1fuj s VAL 185 CO 0.06 -0.45 0.08 -2.65 0.00 0.00 0.00 175.10 172.13 1fuj n PRO 186 N 4.64 0.00 -1.10 2.72 -0.02 -1.26 -4.78 135.00 135.21 1fuj n PRO 186 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1fuj n PRO 186 Cb 0.42 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1fuj n PRO 186 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1fuj n ARG 186 N -0.42 -3.11 -2.46 -0.52 1.74 -1.26 -5.14 116.66 105.49 1fuj n ARG 186 Ca 0.00 2.33 -0.42 0.00 -0.77 0.00 0.00 57.85 58.99 1fuj n ARG 186 Cb 0.00 -2.67 -0.02 0.00 -1.02 0.00 0.00 32.46 28.74 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 -4.54 3.45 0.09 5.56 2.20 -1.26 -4.88 119.74 120.36 1fuj s LYS 187 Ca 0.00 0.49 -0.26 0.00 -0.36 0.00 0.00 55.97 55.84 1fuj s LYS 187 Cb 0.00 -4.05 0.08 0.00 -1.51 0.00 0.00 37.83 32.35 1fuj s LYS 187 CO 0.00 -1.75 0.71 0.00 -0.36 0.00 0.00 175.35 173.96 1fuj s ALA 188 N 5.48 -1.69 0.00 3.13 0.00 -1.26 -4.19 121.76 123.22 1fuj s ALA 188 Ca 0.51 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1fuj s ALA 188 Cb -0.10 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.67 1fuj s ALA 188 CO 0.27 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1fuj n GLY 189 N -0.25 -0.37 3.65 0.00 0.00 -0.83 -4.50 105.19 102.89 1fuj n GLY 189 Ca -0.14 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.10 2.19 0.34 -0.61 -4.36 -1.26 0.08 121.20 115.47 1fuj s ILE 190 Ca 0.00 0.06 -0.16 0.00 -0.26 0.00 0.00 60.65 60.29 1fuj s ILE 190 Cb 0.00 -2.46 0.06 0.00 1.25 0.00 0.00 42.46 41.31 1fuj s ILE 190 CO 0.00 -0.08 0.83 0.00 0.24 0.00 0.00 174.94 175.93 1fuj n PHE 192 N -0.56 2.39 0.00 0.00 3.72 -1.26 -0.53 117.46 121.21 1fuj n PHE 192 Ca -0.07 -0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 1fuj n PHE 192 Cb 0.57 -2.77 0.00 0.00 -0.94 0.00 0.00 39.48 36.34 1fuj n PHE 192 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fuj n GLY 193 N 4.77 0.64 0.04 1.37 0.00 -1.26 0.17 105.19 110.92 1fuj n GLY 193 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.36 1fuj n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fuj n ASP 194 N 0.00 0.61 -4.63 1.61 8.00 0.31 -3.53 116.55 118.92 1fuj n ASP 194 Ca 0.00 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 1fuj n ASP 194 Cb 0.00 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1fuj n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1fuj n SER 195 N -1.87 1.72 0.00 -2.24 7.64 -1.26 -2.12 113.62 115.50 1fuj n SER 195 Ca 0.04 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1fuj n SER 195 Cb 0.40 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 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 1.06 3.02 3.51 0.23 0.00 -0.70 -0.16 105.19 112.16 1fuj n GLY 196 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.16 1.53 0.13 -0.02 0.00 -0.90 -3.45 107.32 103.45 1fuj s GLY 197 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.34 1fuj s GLY 197 CO 0.00 0.35 0.20 2.56 0.00 0.00 0.00 173.10 176.21 1fuj s PRO 198 N -4.79 3.19 -0.32 2.90 0.04 -1.26 -1.70 135.00 133.06 1fuj s PRO 198 Ca 0.68 -0.68 -0.09 0.00 0.04 0.00 0.00 61.00 60.95 1fuj s PRO 198 Cb -0.20 -2.84 0.01 0.00 0.04 0.00 0.00 34.50 31.51 1fuj s PRO 198 CO 0.61 0.53 0.14 -1.17 0.04 0.00 0.00 177.00 177.15 1fuj s LEU 199 N -2.99 4.18 -0.25 -3.56 2.96 0.18 -4.11 118.68 115.10 1fuj s LEU 199 Ca 0.33 -0.69 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1fuj s LEU 199 Cb -0.11 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1fuj s LEU 199 CO 0.26 -0.24 0.10 -0.63 -1.32 0.00 0.00 176.35 174.52 1fuj s ILE 200 N 1.57 4.62 -0.10 6.68 1.09 -0.09 0.38 121.20 135.34 1fuj s ILE 200 Ca 0.03 -0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.51 1fuj s ILE 200 Cb -0.18 -3.16 0.02 0.00 -1.06 0.00 0.00 42.46 38.09 1fuj s ILE 200 CO 0.05 0.34 -0.08 0.00 -0.10 0.00 0.00 174.94 175.15 1fuj n ASP 202 N 4.69 -5.77 -0.78 0.00 8.00 -1.26 -1.86 116.55 119.57 1fuj n ASP 202 Ca -0.15 -0.61 -0.10 0.00 0.71 0.00 0.00 54.79 54.64 1fuj n ASP 202 Cb 0.50 -4.57 -0.04 0.00 -0.02 0.00 0.00 41.12 36.99 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 -1.85 1.15 3.14 0.44 0.00 -1.26 -5.01 105.19 101.79 1fuj n GLY 207 Ca 0.02 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.32 1.15 -0.36 -0.61 1.01 -0.78 -4.31 121.20 114.98 1fuj s ILE 208 Ca 0.00 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.45 1fuj s ILE 208 Cb 0.00 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.47 1fuj s ILE 208 CO 0.00 0.10 1.06 -0.51 0.00 0.00 0.00 174.94 175.59 1fuj s ILE 209 N -0.71 4.46 -0.06 2.92 2.07 -0.99 0.49 121.20 129.38 1fuj s ILE 209 Ca 0.03 1.53 0.09 0.00 -1.41 0.00 0.00 60.65 60.89 1fuj s ILE 209 Cb -0.07 -4.44 -0.13 0.00 0.13 0.00 0.00 42.46 37.95 1fuj s ILE 209 CO 0.01 -0.60 0.11 0.00 -1.91 0.00 0.00 174.94 172.55 1fuj n GLN 210 N 7.06 1.53 -4.27 3.50 1.13 0.16 -4.15 117.38 122.34 1fuj n GLN 210 Ca 0.11 -0.04 -0.15 0.00 -1.94 0.00 0.00 57.00 54.98 1fuj n GLN 210 Cb 0.48 -1.24 -0.10 0.00 0.11 0.00 0.00 30.24 29.49 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 -3.70 1.44 -0.06 1.08 0.00 -1.15 -0.80 107.32 104.13 1fuj s GLY 211 Ca -0.04 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 42.98 1fuj s GLY 211 CO 0.39 -1.55 -0.09 -0.42 0.00 0.00 0.00 173.10 171.43 1fuj s ILE 212 N -3.71 0.90 -0.27 0.90 1.01 -0.93 0.52 121.20 119.62 1fuj s ILE 212 Ca 0.30 -0.32 -0.31 0.00 0.00 0.00 0.00 60.65 60.32 1fuj s ILE 212 Cb 0.07 -0.87 -0.08 0.00 0.01 0.00 0.00 42.46 41.60 1fuj s ILE 212 CO 0.08 0.31 2.21 0.47 0.00 0.00 0.00 174.94 178.01 1fuj n ASP 213 N 4.07 2.81 0.00 3.58 9.92 -0.69 0.11 116.55 136.35 1fuj n ASP 213 Ca -0.22 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1fuj n ASP 213 Cb 0.51 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 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 10.93 0.00 -4.00 -2.24 2.88 -0.02 -1.72 113.62 119.46 1fuj n SER 214 Ca 0.34 0.05 -0.10 0.00 -1.33 0.00 0.00 58.87 57.83 1fuj n SER 214 Cb 0.36 -0.44 -0.07 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.88 0.49 0.19 0.66 -0.71 -0.86 -4.93 117.98 111.94 1fuj s PHE 215 Ca 0.00 -0.84 0.10 0.00 -1.04 0.00 0.00 56.93 55.15 1fuj s PHE 215 Cb 0.00 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 1fuj s PHE 215 CO 0.00 -0.73 -0.20 0.14 -1.34 0.00 0.00 175.22 173.10 1fuj s VAL 216 N -3.99 2.05 -0.21 -2.49 -7.23 -1.26 0.17 120.40 107.43 1fuj s VAL 216 Ca 0.20 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 1fuj s VAL 216 Cb 0.03 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 1fuj s VAL 216 CO 0.02 -0.31 0.08 -0.63 -0.31 0.00 0.00 175.10 173.96 1fuj s ILE 217 N -2.12 4.80 0.00 -0.62 1.01 -1.26 -4.69 121.20 118.32 1fuj s ILE 217 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1fuj s ILE 217 Cb -0.06 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1fuj s ILE 217 CO 0.09 0.41 0.00 1.87 0.00 0.00 0.00 174.94 177.31 1fuj n TRP 218 N 3.96 0.00 -3.80 3.97 -0.00 -1.26 -4.73 117.44 115.58 1fuj n TRP 218 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.34 1fuj n TRP 218 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 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 0.69 3.81 5.87 0.00 -1.26 -5.14 105.19 109.17 1fuj n GLY 219 Ca 0.00 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 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 1.88 -1.95 0.18 0.00 0.00 -1.26 -4.84 120.51 114.52 1fuj n ALA 220 Ca -0.11 -0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.14 1fuj n ALA 220 Cb 0.51 -1.79 0.34 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.84 1.14 -0.56 0.00 1.35 -1.85 -3.42 112.91 107.73 1fuj h THR 221 Ca -0.62 -1.49 -0.16 0.00 -0.55 0.00 0.00 66.41 63.58 1fuj h THR 221 Cb 1.37 1.84 -0.05 0.00 -1.73 0.00 0.00 68.15 69.58 1fuj h THR 221 CO 0.62 0.41 -0.16 0.54 -0.25 0.00 0.00 175.52 176.67 1fuj n ARG 222 N -3.82 -0.57 0.00 4.72 1.74 -1.26 -4.82 116.66 112.64 1fuj n ARG 222 Ca -0.01 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 1fuj n ARG 222 Cb 0.47 -4.54 0.00 0.00 -1.02 0.00 0.00 32.46 27.37 1fuj n ARG 222 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1fuj n LEU 223 N -0.96 1.10 -4.55 0.55 0.00 -1.26 -5.06 117.00 106.81 1fuj n LEU 223 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 56.01 55.66 1fuj n LEU 223 Cb 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.66 1fuj n LEU 223 CO 0.12 0.11 -0.42 -0.36 0.00 0.00 0.00 177.39 176.83 1fuj s PHE 224 N -1.80 2.59 0.88 1.96 0.08 -1.26 -5.08 117.98 115.35 1fuj s PHE 224 Ca 0.00 -0.24 -0.13 0.00 0.12 0.00 0.00 56.93 56.68 1fuj s PHE 224 Cb 0.00 -1.26 0.12 0.00 -0.57 0.00 0.00 43.02 41.31 1fuj s PHE 224 CO 0.00 0.52 1.19 -2.14 -0.10 0.00 0.00 175.22 174.69 1fuj s PRO 225 N -2.85 1.40 0.10 0.24 0.02 -1.26 -4.73 135.00 127.91 1fuj s PRO 225 Ca 0.25 0.07 0.03 0.00 0.02 0.00 0.00 61.00 61.37 1fuj s PRO 225 Cb -0.09 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1fuj s PRO 225 CO 0.15 -1.98 0.14 -0.51 -0.33 0.00 0.00 177.00 174.47 1fuj s ASP 226 N -4.45 5.78 -0.03 2.53 1.01 -0.61 -4.42 116.67 116.47 1fuj s ASP 226 Ca 0.65 0.04 0.04 0.00 0.71 0.00 0.00 52.55 53.99 1fuj s ASP 226 Cb -0.11 -1.61 -0.03 0.00 1.01 0.00 0.00 42.92 42.18 1fuj s ASP 226 CO 0.51 0.14 -0.15 -0.36 0.21 0.00 0.00 175.17 175.52 1fuj s PHE 227 N -1.52 2.66 0.06 4.23 0.40 0.13 -2.22 117.98 121.72 1fuj s PHE 227 Ca 0.31 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.50 1fuj s PHE 227 Cb -0.12 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1fuj s PHE 227 CO 0.24 0.19 -0.13 -0.06 0.70 0.00 0.00 175.22 176.16 1fuj s PHE 228 N -0.76 1.08 0.24 0.36 0.40 -0.24 -0.84 117.98 118.23 1fuj s PHE 228 Ca 0.12 -0.43 -0.30 0.00 -0.60 0.00 0.00 56.93 55.72 1fuj s PHE 228 Cb -0.11 -0.62 -0.09 0.00 0.51 0.00 0.00 43.02 42.71 1fuj s PHE 228 CO 0.01 0.02 1.23 0.99 0.70 0.00 0.00 175.22 178.17 1fuj s THR 229 N -1.17 3.27 -0.90 0.64 2.01 0.31 -1.73 115.64 118.06 1fuj s THR 229 Ca -0.03 1.15 -0.22 0.00 0.31 0.00 0.00 61.69 62.91 1fuj s THR 229 Cb -0.09 -3.73 0.08 0.00 0.01 0.00 0.00 72.50 68.77 1fuj s THR 229 CO 0.02 0.22 1.23 -0.60 -0.69 0.00 0.00 174.62 174.80 1fuj s ARG 230 N -0.85 3.48 0.31 4.92 3.52 -1.23 -2.20 118.95 126.90 1fuj s ARG 230 Ca 0.51 -1.23 0.06 0.00 -0.13 0.00 0.00 55.73 54.94 1fuj s ARG 230 Cb -0.35 -4.89 0.83 0.00 -1.56 0.00 0.00 34.95 28.98 1fuj s ARG 230 CO 0.42 -1.97 1.66 0.28 -0.81 0.00 0.00 175.30 174.88 1fuj h VAL 231 N 6.22 0.34 -0.01 7.11 2.07 -1.29 -2.32 116.25 128.38 1fuj h VAL 231 Ca 0.06 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1fuj h VAL 231 Cb 1.03 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1fuj h VAL 231 CO 1.25 0.05 0.01 0.00 0.02 0.00 0.00 177.57 178.91 1fuj h ALA 232 N 1.79 1.31 0.00 1.67 0.00 -1.83 -1.85 119.26 120.36 1fuj h ALA 232 Ca 0.61 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.46 1fuj h ALA 232 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1fuj h ALA 232 CO -0.61 -0.01 -0.32 -0.07 0.00 0.00 0.00 179.25 178.24 1fuj h LEU 233 N 0.00 0.00 -2.72 0.00 3.38 -1.74 -0.21 115.31 114.02 1fuj h LEU 233 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fuj h LEU 233 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1fuj h LEU 233 CO -0.00 0.32 0.00 -1.22 0.09 0.00 0.00 178.44 177.63 1fuj n TYR 234 N -3.68 0.68 -0.20 1.13 4.01 -0.70 -4.67 117.16 113.72 1fuj n TYR 234 Ca -0.01 -0.46 -0.02 0.00 -0.16 0.00 0.00 57.90 57.25 1fuj n TYR 234 Cb 0.42 -0.01 0.09 0.00 -0.31 0.00 0.00 39.34 39.53 1fuj n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1fuj h VAL 235 N 3.24 0.89 -0.44 -0.72 2.07 -1.57 -0.02 116.25 119.69 1fuj h VAL 235 Ca 0.00 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1fuj h VAL 235 Cb 0.86 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1fuj h VAL 235 CO 0.00 0.10 -0.15 0.44 0.02 0.00 0.00 177.57 177.98 1fuj h ASP 236 N 0.52 0.83 -0.45 0.57 3.32 -1.85 -2.27 116.42 117.09 1fuj h ASP 236 Ca 0.28 -0.27 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 1fuj h ASP 236 Cb 0.25 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1fuj h ASP 236 CO -0.22 0.98 -0.29 -0.25 -1.72 0.00 0.00 179.24 177.74 1fuj h TRP 237 N 0.74 1.15 -0.49 4.55 7.01 -1.71 -2.84 115.95 124.35 1fuj h TRP 237 Ca 0.11 -0.31 -0.07 0.00 2.11 0.00 0.00 58.89 60.74 1fuj h TRP 237 Cb 0.66 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 1fuj h TRP 237 CO 0.04 1.14 0.04 0.82 -2.79 0.00 0.00 178.44 177.68 1fuj h ILE 238 N 0.83 1.24 0.31 2.65 2.04 -0.85 -1.52 117.51 122.20 1fuj h ILE 238 Ca 0.09 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 1fuj h ILE 238 Cb 0.87 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1fuj h ILE 238 CO 0.08 0.34 -0.15 0.03 0.00 0.00 0.00 178.15 178.44 1fuj h ARG 239 N 0.75 -0.40 -0.68 2.37 3.08 -1.32 -0.80 114.38 117.37 1fuj h ARG 239 Ca 0.15 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1fuj h ARG 239 Cb 0.40 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1fuj h ARG 239 CO 0.01 -0.17 0.27 0.77 -1.07 0.00 0.00 179.97 179.78 1fuj h SER 240 N -0.58 0.94 -0.06 7.04 0.02 -1.54 -1.90 113.55 117.46 1fuj h SER 240 Ca -0.04 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1fuj h SER 240 Cb 0.42 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1fuj h SER 240 CO 0.07 0.86 -0.03 0.74 -1.14 0.00 0.00 176.83 177.32 1fuj h THR 241 N 0.97 1.14 -0.08 -2.27 2.02 -1.15 -2.52 112.91 111.01 1fuj h THR 241 Ca 0.23 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1fuj h THR 241 Cb 0.21 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1fuj h THR 241 CO -0.02 0.18 -0.07 -0.07 0.37 0.00 0.00 175.52 175.91 1fuj h LEU 242 N 0.25 0.19 -1.35 2.58 3.38 -0.78 -3.51 115.31 116.08 1fuj h LEU 242 Ca 0.06 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1fuj h LEU 242 Cb 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1fuj h LEU 242 CO 0.01 0.62 0.00 0.54 0.09 0.00 0.00 178.44 179.70