#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 5.25 -1.00 1.39 1.01 0.26 -4.24 120.40 123.07 1fuj s VAL 17 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1fuj s VAL 17 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1fuj s VAL 17 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1fuj n GLY 18 N 2.34 0.90 0.00 4.51 0.00 -1.26 -2.24 105.19 109.44 1fuj n GLY 18 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.36 0.33 3.23 -0.02 0.00 -1.26 -4.92 105.19 102.92 1fuj n GLY 19 Ca -0.09 -1.83 -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 0.54 0.63 0.15 1.61 -3.43 0.37 -4.89 115.29 110.28 1fuj s HIS 20 Ca 0.00 -1.00 -0.31 0.00 -0.80 0.00 0.00 55.06 52.94 1fuj s HIS 20 Cb 0.00 -0.28 -0.11 0.00 -1.43 0.00 0.00 32.58 30.76 1fuj s HIS 20 CO 0.00 -0.60 1.76 -2.00 -2.00 0.00 0.00 174.74 171.90 1fuj s GLU 21 N -4.00 4.14 0.76 -0.38 2.12 -1.26 0.51 118.70 120.58 1fuj s GLU 21 Ca 0.20 2.57 -0.11 0.00 0.36 0.00 0.00 54.97 57.99 1fuj s GLU 21 Cb 0.06 -3.37 0.05 0.00 0.26 0.00 0.00 34.13 31.12 1fuj s GLU 21 CO 0.00 -0.79 1.08 0.00 -0.54 0.00 0.00 175.26 175.01 1fuj s ALA 22 N 2.05 2.38 0.27 6.30 0.00 -0.88 -4.81 121.76 127.07 1fuj s ALA 22 Ca 0.78 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.46 1fuj s ALA 22 Cb -0.47 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 1fuj s ALA 22 CO 0.34 -1.57 1.11 -1.14 0.00 0.00 0.00 175.76 174.50 1fuj s GLN 23 N -5.04 4.63 -0.01 0.00 2.00 -1.26 -4.87 119.66 115.11 1fuj s GLN 23 Ca 0.60 1.81 -0.33 0.00 -2.00 0.00 0.00 55.36 55.44 1fuj s GLN 23 Cb -0.15 -3.19 -0.12 0.00 0.80 0.00 0.00 33.01 30.35 1fuj s GLN 23 CO 0.55 0.18 1.83 -2.30 -0.50 0.00 0.00 175.29 175.06 1fuj n PRO 24 N 1.32 2.32 -1.04 1.67 -0.02 -1.26 -0.91 135.00 137.07 1fuj n PRO 24 Ca -0.01 0.85 -0.01 0.00 -2.02 0.00 0.00 63.50 62.31 1fuj n PRO 24 Cb 0.45 -2.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.23 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 6.03 0.00 0.36 6.00 8.25 -1.26 -4.83 115.22 129.77 1fuj n HIS 25 Ca 0.21 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.79 1fuj n HIS 25 Cb 0.31 -1.39 0.54 0.00 1.12 0.00 0.00 29.99 30.57 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 -2.64 0.41 4.64 -1.39 -3.21 113.55 111.36 1fuj h SER 26 Ca -0.03 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.69 1fuj h SER 26 Cb 0.66 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.35 1fuj h SER 26 CO 0.04 0.00 -0.80 -2.11 -0.87 0.00 0.00 176.83 173.09 1fuj n ARG 27 N -2.36 1.01 0.00 4.77 0.00 -1.26 -4.97 116.66 113.85 1fuj n ARG 27 Ca 0.01 -3.80 0.04 0.00 -0.00 0.00 0.00 57.85 54.11 1fuj n ARG 27 Cb 0.21 -1.94 0.27 0.00 -0.00 0.00 0.00 32.46 31.00 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 2.31 0.38 -0.02 2.89 -0.04 -1.21 -2.69 135.00 136.62 1fuj n PRO 28 Ca 0.25 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 1fuj n PRO 28 Cb 0.42 -1.37 0.24 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.87 0.06 -2.34 0.54 0.18 -1.22 -0.67 117.16 112.84 1fuj n TYR 29 Ca 0.07 -0.03 -0.43 0.00 1.88 0.00 0.00 57.90 59.39 1fuj n TYR 29 Cb 0.03 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 38.97 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 -1.94 4.26 -0.08 -3.48 -1.94 -1.09 0.67 119.30 115.69 1fuj s MET 30 Ca 0.32 1.79 0.02 0.00 -1.71 0.00 0.00 55.69 56.12 1fuj s MET 30 Cb 0.20 -3.72 -0.02 0.00 2.01 0.00 0.00 34.83 33.30 1fuj s MET 30 CO 0.31 -0.65 -0.14 0.00 -0.01 0.00 0.00 175.02 174.52 1fuj s ALA 31 N 3.14 2.63 -0.18 3.03 0.00 -0.72 -4.21 121.76 125.45 1fuj s ALA 31 Ca 0.59 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.54 1fuj s ALA 31 Cb -0.26 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1fuj s ALA 31 CO 0.20 0.45 0.04 0.45 0.00 0.00 0.00 175.76 176.90 1fuj s SER 32 N -0.35 5.35 -0.25 0.00 0.15 -1.04 -1.31 113.70 116.26 1fuj s SER 32 Ca 0.03 -0.00 -0.09 0.00 0.70 0.00 0.00 55.95 56.59 1fuj s SER 32 Cb -0.12 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1fuj s SER 32 CO 0.02 0.15 0.11 -0.76 1.20 0.00 0.00 173.24 173.97 1fuj s LEU 33 N 0.48 3.75 0.00 3.45 1.02 0.77 -1.12 118.68 127.03 1fuj s LEU 33 Ca 0.01 -0.06 0.04 0.00 0.02 0.00 0.00 54.13 54.14 1fuj s LEU 33 Cb -0.13 -2.01 -0.01 0.00 0.02 0.00 0.00 46.19 44.06 1fuj s LEU 33 CO 0.01 0.01 0.14 0.00 0.02 0.00 0.00 176.35 176.53 1fuj n GLN 34 N 4.66 0.59 -3.84 1.70 6.02 0.11 0.23 117.38 126.84 1fuj n GLN 34 Ca -0.15 -3.58 -0.36 0.00 -0.01 0.00 0.00 57.00 52.90 1fuj n GLN 34 Cb 0.52 1.85 -0.08 0.00 1.02 0.00 0.00 30.24 33.55 1fuj n GLN 34 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1fuj s MET 35 N -3.63 3.88 0.14 -1.09 -2.45 -1.23 -0.25 119.30 114.67 1fuj s MET 35 Ca 0.19 -0.22 -0.34 0.00 -1.25 0.00 0.00 55.69 54.07 1fuj s MET 35 Cb 0.01 -3.29 -0.15 0.00 1.25 0.00 0.00 34.83 32.65 1fuj s MET 35 CO 0.14 0.46 1.52 0.54 1.05 0.00 0.00 175.02 178.72 1fuj n ARG 36 N 2.99 1.91 0.00 4.11 1.74 0.11 -2.06 116.66 125.47 1fuj n ARG 36 Ca -0.17 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1fuj n ARG 36 Cb 0.53 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.54 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 3.18 1.91 2.76 -0.13 0.00 -1.26 -4.96 105.19 106.69 1fuj n GLY 38 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1fuj n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fuj s ASN 38 N -2.85 3.93 0.57 1.61 -0.87 -0.87 -5.11 114.94 111.35 1fuj s ASN 38 Ca 0.00 -2.26 -0.19 0.00 -1.57 0.00 0.00 52.86 48.83 1fuj s ASN 38 Cb 0.00 -1.07 -0.05 0.00 -0.02 0.00 0.00 41.25 40.12 1fuj s ASN 38 CO 0.00 -0.33 1.19 -2.84 -2.57 0.00 0.00 177.10 172.56 1fuj s PRO 38 N 0.81 3.14 -0.69 -0.60 0.02 -1.26 -2.91 135.00 133.50 1fuj s PRO 38 Ca 0.14 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1fuj s PRO 38 Cb -0.22 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1fuj s PRO 38 CO -0.09 -1.06 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 1fuj n GLY 38 N 0.43 0.79 2.29 0.52 0.00 -1.21 -4.86 105.19 103.16 1fuj n GLY 38 Ca 0.12 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.31 6.48 -4.66 1.61 3.41 -1.15 -4.71 113.62 114.29 1fuj n SER 39 Ca -0.06 -3.16 -0.46 0.00 -0.26 0.00 0.00 58.87 54.92 1fuj n SER 39 Cb 0.36 -1.18 -0.04 0.00 -0.26 0.00 0.00 64.21 63.09 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 0.71 2.10 -0.10 7.33 -0.00 -1.26 -3.51 115.22 120.49 1fuj n HIS 40 Ca 0.43 0.40 0.00 0.00 0.46 0.00 0.00 57.72 59.01 1fuj n HIS 40 Cb 0.57 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 27.97 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 2.56 0.00 -3.57 1.57 1.16 0.14 -4.96 117.46 114.35 1fuj n PHE 41 Ca 0.15 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.66 1fuj n PHE 41 Cb 0.29 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.14 1fuj n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fuj n GLY 43 N -0.29 1.70 3.84 0.00 0.00 0.18 -0.16 105.19 110.46 1fuj n GLY 43 Ca -0.07 -2.19 -0.04 0.00 0.00 0.00 0.00 46.02 43.72 1fuj n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fuj s GLY 44 N -4.77 0.05 -0.03 -0.02 0.00 -0.42 -3.79 107.32 98.33 1fuj s GLY 44 Ca 0.63 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.09 1fuj s GLY 44 CO 0.40 1.31 -0.00 -1.59 0.00 0.00 0.00 173.10 173.22 1fuj s THR 45 N -2.53 0.22 -0.55 0.90 2.01 0.32 -1.76 115.64 114.27 1fuj s THR 45 Ca 0.18 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.97 1fuj s THR 45 Cb -0.03 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.18 1fuj s THR 45 CO 0.05 0.16 1.44 -0.22 -0.69 0.00 0.00 174.62 175.36 1fuj s LEU 46 N 1.05 3.41 0.00 4.42 2.96 0.21 0.43 118.68 131.17 1fuj s LEU 46 Ca -0.09 0.35 0.22 0.00 -0.22 0.00 0.00 54.13 54.39 1fuj s LEU 46 Cb -0.14 -3.08 -0.25 0.00 0.50 0.00 0.00 46.19 43.22 1fuj s LEU 46 CO -0.02 -1.72 0.65 -0.38 -1.32 0.00 0.00 176.35 173.57 1fuj n ILE 47 N 6.90 0.07 -3.76 6.68 -0.00 -0.51 -2.93 119.36 125.81 1fuj n ILE 47 Ca 0.13 -0.39 -0.10 0.00 -0.00 0.00 0.00 62.75 62.39 1fuj n ILE 47 Cb 0.49 0.16 -0.06 0.00 -0.00 0.00 0.00 39.64 40.23 1fuj n ILE 47 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1fuj s HIS 48 N -3.39 0.00 0.50 1.39 2.46 -1.12 -4.64 115.29 110.49 1fuj s HIS 48 Ca -0.04 -0.37 0.21 0.00 0.47 0.00 0.00 55.06 55.33 1fuj s HIS 48 Cb 0.14 0.07 1.29 0.00 -0.13 0.00 0.00 32.58 33.95 1fuj s HIS 48 CO 0.88 -0.60 2.01 -1.35 -2.47 0.00 0.00 174.74 173.21 1fuj h PRO 49 N 2.62 0.10 -0.01 2.88 0.11 -1.93 -2.99 132.00 132.77 1fuj h PRO 49 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1fuj h PRO 49 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1fuj h PRO 49 CO 0.52 0.07 -0.29 0.43 -0.21 0.00 0.00 178.00 178.51 1fuj n SER 50 N -4.42 1.86 -4.02 -2.05 7.64 -1.26 0.56 113.62 111.92 1fuj n SER 50 Ca 0.08 -1.43 -0.26 0.00 1.01 0.00 0.00 58.87 58.27 1fuj n SER 50 Cb 0.49 0.38 -0.17 0.00 -1.01 0.00 0.00 64.21 63.90 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 -1.92 1.64 -0.13 1.43 0.40 -1.13 0.40 117.98 118.67 1fuj s PHE 51 Ca 0.16 -0.69 -0.05 0.00 -0.60 0.00 0.00 56.93 55.74 1fuj s PHE 51 Cb 0.14 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 1fuj s PHE 51 CO 0.40 -0.38 0.07 0.08 0.70 0.00 0.00 175.22 176.09 1fuj s VAL 52 N 0.92 4.88 -0.20 -0.44 1.01 -0.48 -1.42 120.40 124.67 1fuj s VAL 52 Ca -0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1fuj s VAL 52 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1fuj s VAL 52 CO 0.00 0.56 0.07 -0.22 0.00 0.00 0.00 175.10 175.51 1fuj s LEU 53 N -0.53 3.77 0.00 3.92 2.96 0.17 -0.73 118.68 128.24 1fuj s LEU 53 Ca 0.11 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1fuj s LEU 53 Cb -0.12 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.61 1fuj s LEU 53 CO 0.02 0.14 0.15 1.07 -1.32 0.00 0.00 176.35 176.40 1fuj n THR 54 N 3.79 0.00 -3.27 3.68 5.66 0.86 0.12 114.28 125.12 1fuj n THR 54 Ca -0.16 -0.62 -0.38 0.00 -3.05 0.00 0.00 64.05 59.83 1fuj n THR 54 Cb 0.52 0.36 -0.06 0.00 -1.55 0.00 0.00 70.33 69.61 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 -2.05 3.50 0.51 1.79 0.00 -1.26 0.65 121.76 124.90 1fuj s ALA 55 Ca 0.10 -0.06 0.28 0.00 0.00 0.00 0.00 51.96 52.28 1fuj s ALA 55 Cb -0.00 -2.68 1.63 0.00 0.00 0.00 0.00 23.12 22.08 1fuj s ALA 55 CO 0.07 0.15 2.17 0.00 0.00 0.00 0.00 175.76 178.15 1fuj h ALA 56 N 5.87 1.43 0.00 0.00 0.00 -1.73 -0.94 119.26 123.88 1fuj h ALA 56 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1fuj h ALA 56 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1fuj h ALA 56 CO 0.70 0.07 0.00 1.12 0.00 0.00 0.00 179.25 181.15 1fuj h HIS 57 N 0.00 0.00 -0.36 0.00 2.07 -1.93 -3.01 115.15 111.92 1fuj h HIS 57 Ca -0.00 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.37 1fuj h HIS 57 Cb 0.15 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.13 1fuj h HIS 57 CO 0.00 0.00 -0.37 0.00 -3.07 0.00 0.00 177.93 174.49 1fuj n LEU 59 N -4.06 0.32 -4.97 0.00 7.94 -1.14 -4.77 117.00 110.32 1fuj n LEU 59 Ca -0.02 -0.13 -0.21 0.00 -1.11 0.00 0.00 56.01 54.55 1fuj n LEU 59 Cb 0.53 -0.02 0.01 0.00 0.53 0.00 0.00 43.42 44.47 1fuj n LEU 59 CO 0.47 0.06 0.18 -0.13 -1.11 0.00 0.00 177.39 176.87 1fuj s ARG 60 N -1.97 3.04 0.00 1.96 3.00 -1.19 -3.98 118.95 119.81 1fuj s ARG 60 Ca 0.31 -0.79 0.00 0.00 0.00 0.00 0.00 55.73 55.25 1fuj s ARG 60 Cb 0.15 -2.69 0.00 0.00 0.00 0.00 0.00 34.95 32.41 1fuj s ARG 60 CO 0.24 -0.15 0.00 -0.25 0.00 0.00 0.00 175.30 175.14 1fuj n ASP 61 N -1.88 -0.34 -3.72 0.23 9.92 -1.26 -4.96 116.55 114.53 1fuj n ASP 61 Ca 0.02 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.16 1fuj n ASP 61 Cb 0.58 -1.03 -0.12 0.00 -0.64 0.00 0.00 41.12 39.92 1fuj n ASP 61 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1fuj s ILE 62 N -2.74 -0.02 0.24 0.53 1.09 -1.26 -5.15 121.20 113.89 1fuj s ILE 62 Ca 0.00 0.09 -0.28 0.00 -1.10 0.00 0.00 60.65 59.36 1fuj s ILE 62 Cb 0.00 -0.49 -0.09 0.00 -1.06 0.00 0.00 42.46 40.82 1fuj s ILE 62 CO 0.00 0.03 0.89 -2.84 -0.10 0.00 0.00 174.94 172.92 1fuj s PRO 63 N 1.01 4.71 0.22 2.79 0.02 -1.26 -4.93 135.00 137.55 1fuj s PRO 63 Ca -0.07 1.35 -0.18 0.00 0.02 0.00 0.00 61.00 62.12 1fuj s PRO 63 Cb -0.07 -3.17 0.21 0.00 0.02 0.00 0.00 34.50 31.49 1fuj s PRO 63 CO -0.08 0.48 1.57 1.96 -0.33 0.00 0.00 177.00 180.61 1fuj h GLN 63 N 3.98 -0.06 -0.03 5.54 4.20 -1.97 -1.16 115.11 125.61 1fuj h GLN 63 Ca -0.46 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.26 1fuj h GLN 63 Cb 1.20 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 1fuj h GLN 63 CO 0.67 -0.04 0.37 0.07 -0.67 0.00 0.00 178.83 179.23 1fuj h ARG 63 N -0.06 0.00 -0.01 1.46 -0.00 -1.92 0.92 114.38 114.77 1fuj h ARG 63 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.29 1fuj h ARG 63 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.55 1fuj h ARG 63 CO -0.86 0.00 -0.40 1.28 -0.00 0.00 0.00 179.97 179.99 1fuj n LEU 63 N -2.92 0.96 -4.79 0.08 4.77 -0.44 -4.86 117.00 109.80 1fuj n LEU 63 Ca -0.01 -0.24 -0.38 0.00 -0.03 0.00 0.00 56.01 55.34 1fuj n LEU 63 Cb 0.42 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1fuj n LEU 63 CO 0.14 0.19 0.49 -0.69 -1.33 0.00 0.00 177.39 176.19 1fuj s VAL 64 N -2.68 4.41 -0.18 4.08 1.01 0.32 0.09 120.40 127.44 1fuj s VAL 64 Ca 0.19 1.57 -0.02 0.00 0.00 0.00 0.00 61.98 63.72 1fuj s VAL 64 Cb 0.18 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1fuj s VAL 64 CO 0.60 0.34 0.01 0.21 0.00 0.00 0.00 175.10 176.27 1fuj s ASN 65 N -1.41 2.82 -0.28 3.32 3.04 0.65 -4.14 114.94 118.94 1fuj s ASN 65 Ca 0.41 -0.74 -0.23 0.00 0.04 0.00 0.00 52.86 52.34 1fuj s ASN 65 Cb -0.20 -0.68 -0.00 0.00 -1.54 0.00 0.00 41.25 38.83 1fuj s ASN 65 CO 0.24 -0.27 0.78 -0.69 -3.04 0.00 0.00 177.10 174.12 1fuj s VAL 66 N 1.79 4.83 -0.32 -5.21 1.01 0.15 0.04 120.40 122.70 1fuj s VAL 66 Ca -0.00 1.28 -0.09 0.00 0.00 0.00 0.00 61.98 63.17 1fuj s VAL 66 Cb -0.16 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1fuj s VAL 66 CO -0.07 -0.16 0.15 -0.69 0.00 0.00 0.00 175.10 174.32 1fuj s VAL 67 N 2.86 4.46 0.32 2.92 1.01 -0.28 -0.60 120.40 131.10 1fuj s VAL 67 Ca 0.32 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1fuj s VAL 67 Cb -0.15 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1fuj s VAL 67 CO 0.10 0.01 0.36 -0.76 0.00 0.00 0.00 175.10 174.81 1fuj s LEU 68 N 1.58 3.82 -1.56 3.92 1.43 0.49 -2.49 118.68 125.87 1fuj s LEU 68 Ca 0.04 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 1fuj s LEU 68 Cb -0.18 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1fuj s LEU 68 CO 0.06 -0.34 0.59 0.61 0.23 0.00 0.00 176.35 177.50 1fuj n GLY 69 N -1.47 -0.51 3.99 -3.19 0.00 -1.26 -0.82 105.19 101.93 1fuj n GLY 69 Ca -0.02 0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.18 4.46 0.14 4.61 0.00 -1.26 -3.50 121.76 123.03 1fuj s ALA 70 Ca 0.29 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1fuj s ALA 70 Cb -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1fuj s ALA 70 CO 0.36 -0.31 0.00 1.58 0.00 0.00 0.00 175.76 177.39 1fuj n HIS 71 N -1.82 -1.09 -3.48 0.00 -0.00 -1.26 -4.60 115.22 102.97 1fuj n HIS 71 Ca 0.08 0.19 -0.43 0.00 0.46 0.00 0.00 57.72 58.02 1fuj n HIS 71 Cb 0.60 0.40 -0.08 0.00 -0.12 0.00 0.00 29.99 30.79 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 -5.16 5.91 0.47 0.26 3.84 -1.26 -1.37 114.94 117.63 1fuj s ASN 72 Ca 0.00 -1.55 0.28 0.00 0.21 0.00 0.00 52.86 51.80 1fuj s ASN 72 Cb 0.00 -2.09 0.87 0.00 -0.55 0.00 0.00 41.25 39.48 1fuj s ASN 72 CO 0.00 -0.65 1.80 -0.37 -2.79 0.00 0.00 177.10 175.09 1fuj h VAL 73 N 5.95 0.00 -1.94 -5.21 -1.51 -1.79 -3.22 116.25 108.53 1fuj h VAL 73 Ca -0.26 -0.70 -0.74 0.00 -1.23 0.00 0.00 66.70 63.77 1fuj h VAL 73 Cb 1.09 1.69 -0.29 0.00 -2.13 0.00 0.00 31.29 31.65 1fuj h VAL 73 CO 0.86 0.00 0.81 -2.11 -1.23 0.00 0.00 177.57 175.90 1fuj n ARG 74 N -2.99 2.87 -3.57 5.19 1.85 -1.26 -3.31 116.66 115.43 1fuj n ARG 74 Ca 0.02 -3.67 -0.14 0.00 -1.00 0.00 0.00 57.85 53.07 1fuj n ARG 74 Cb 0.40 -2.27 -0.05 0.00 -1.05 0.00 0.00 32.46 29.49 1fuj n ARG 74 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1fuj s THR 75 N -5.14 0.03 -1.18 8.89 2.01 -1.22 -5.00 115.64 114.04 1fuj s THR 75 Ca 0.51 -0.26 -0.06 0.00 0.31 0.00 0.00 61.69 62.19 1fuj s THR 75 Cb 0.43 -0.99 0.24 0.00 0.01 0.00 0.00 72.50 72.19 1fuj s THR 75 CO -0.38 -0.14 1.70 0.00 -0.69 0.00 0.00 174.62 175.11 1fuj n GLN 76 N 0.34 4.11 -2.31 4.92 6.02 -1.26 -4.94 117.38 124.26 1fuj n GLN 76 Ca -0.18 -4.05 -0.41 0.00 -0.01 0.00 0.00 57.00 52.35 1fuj n GLN 76 Cb 0.61 -2.71 -0.03 0.00 1.02 0.00 0.00 30.24 29.13 1fuj n GLN 76 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1fuj s GLU 77 N -1.30 4.47 0.59 -1.09 2.02 -1.26 -4.90 118.70 117.23 1fuj s GLU 77 Ca 0.36 1.97 0.29 0.00 0.02 0.00 0.00 54.97 57.61 1fuj s GLU 77 Cb 0.08 -3.18 1.69 0.00 0.10 0.00 0.00 34.13 32.82 1fuj s GLU 77 CO 0.05 -0.08 2.14 -1.35 0.02 0.00 0.00 175.26 176.04 1fuj h PRO 78 N 4.59 0.00 0.00 0.39 0.11 -1.95 0.18 132.00 135.32 1fuj h PRO 78 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1fuj h PRO 78 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1fuj h PRO 78 CO 0.72 0.00 -0.31 1.79 -0.21 0.00 0.00 178.00 179.99 1fuj h THR 79 N 0.00 0.00 -2.91 -1.15 1.35 -1.91 -3.46 112.91 104.83 1fuj h THR 79 Ca 0.06 -0.68 -0.53 0.00 -0.55 0.00 0.00 66.41 64.71 1fuj h THR 79 Cb 0.37 1.50 0.02 0.00 -1.73 0.00 0.00 68.15 68.31 1fuj h THR 79 CO -0.00 0.00 0.81 -1.10 -0.25 0.00 0.00 175.52 174.97 1fuj s GLN 80 N -3.18 4.28 -0.10 4.72 -0.21 0.64 -4.34 119.66 121.46 1fuj s GLN 80 Ca 0.07 2.16 0.03 0.00 0.02 0.00 0.00 55.36 57.64 1fuj s GLN 80 Cb 0.10 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.81 1fuj s GLN 80 CO 0.68 -0.53 -0.22 -0.65 -2.12 0.00 0.00 175.29 172.45 1fuj s GLN 81 N 1.44 2.81 -0.10 2.91 -0.21 0.00 -4.93 119.66 121.59 1fuj s GLN 81 Ca 0.67 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 55.24 1fuj s GLN 81 Cb -0.38 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.42 1fuj s GLN 81 CO 0.30 0.11 -0.04 -1.01 -2.12 0.00 0.00 175.29 172.54 1fuj s HIS 82 N 0.50 3.03 0.08 0.91 3.76 -1.26 0.18 115.29 122.49 1fuj s HIS 82 Ca -0.16 -0.04 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 1fuj s HIS 82 Cb -0.17 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 1fuj s HIS 82 CO 0.06 0.25 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.08 1fuj s PHE 83 N -0.44 0.75 0.42 1.40 0.40 0.23 -5.00 117.98 115.75 1fuj s PHE 83 Ca 0.07 -0.85 0.07 0.00 -0.60 0.00 0.00 56.93 55.62 1fuj s PHE 83 Cb -0.12 -0.46 -0.07 0.00 0.51 0.00 0.00 43.02 42.89 1fuj s PHE 83 CO 0.02 -0.18 0.08 -1.54 0.70 0.00 0.00 175.22 174.30 1fuj s SER 84 N -2.69 4.11 -0.31 1.36 1.04 -1.26 -0.68 113.70 115.27 1fuj s SER 84 Ca 0.06 -1.26 -0.21 0.00 0.48 0.00 0.00 55.95 55.01 1fuj s SER 84 Cb 0.02 -0.39 -0.00 0.00 0.10 0.00 0.00 66.02 65.75 1fuj s SER 84 CO -0.05 -0.51 0.69 -0.69 0.98 0.00 0.00 173.24 173.67 1fuj s VAL 85 N -2.67 4.88 0.10 5.02 1.01 -1.26 0.04 120.40 127.52 1fuj s VAL 85 Ca 0.36 0.96 0.04 0.00 0.00 0.00 0.00 61.98 63.35 1fuj s VAL 85 Cb 0.07 -4.06 -0.23 0.00 0.00 0.00 0.00 36.38 32.16 1fuj s VAL 85 CO 0.19 -0.20 1.22 0.00 0.00 0.00 0.00 175.10 176.32 1fuj h ALA 86 N 8.18 0.29 -1.60 5.51 0.00 -0.98 -3.45 119.26 127.20 1fuj h ALA 86 Ca -0.26 -0.92 0.28 0.00 0.00 0.00 0.00 54.91 54.01 1fuj h ALA 86 Cb 1.11 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 1fuj h ALA 86 CO 0.84 1.18 0.77 -1.14 0.00 0.00 0.00 179.25 180.89 1fuj s GLN 87 N -2.69 0.49 0.01 0.00 0.74 -1.17 -4.99 119.66 112.05 1fuj s GLN 87 Ca -0.01 -0.24 -0.06 0.00 0.05 0.00 0.00 55.36 55.10 1fuj s GLN 87 Cb 0.09 0.18 -0.00 0.00 1.10 0.00 0.00 33.01 34.38 1fuj s GLN 87 CO 0.84 -0.22 0.10 0.14 -0.55 0.00 0.00 175.29 175.60 1fuj s VAL 88 N -2.56 0.10 -0.01 1.34 -7.23 -1.26 -0.01 120.40 110.76 1fuj s VAL 88 Ca 0.12 -0.80 0.04 0.00 -1.81 0.00 0.00 61.98 59.53 1fuj s VAL 88 Cb 0.02 -0.48 -0.01 0.00 0.56 0.00 0.00 36.38 36.47 1fuj s VAL 88 CO -0.04 -0.44 -0.11 -0.36 -0.31 0.00 0.00 175.10 173.84 1fuj s PHE 89 N -1.60 1.03 0.30 2.82 0.40 -0.34 -4.99 117.98 115.60 1fuj s PHE 89 Ca -0.13 -0.20 0.09 0.00 -0.60 0.00 0.00 56.93 56.09 1fuj s PHE 89 Cb -0.07 -0.67 -0.06 0.00 0.51 0.00 0.00 43.02 42.74 1fuj s PHE 89 CO 0.00 -0.02 -0.11 -0.51 0.70 0.00 0.00 175.22 175.29 1fuj s LEU 90 N -0.26 2.62 -0.48 -0.37 1.02 -1.26 -2.17 118.68 117.77 1fuj s LEU 90 Ca 0.04 -1.15 0.07 0.00 0.02 0.00 0.00 54.13 53.11 1fuj s LEU 90 Cb -0.05 -0.88 0.25 0.00 0.02 0.00 0.00 46.19 45.53 1fuj s LEU 90 CO -0.00 -0.20 0.60 -3.20 0.02 0.00 0.00 176.35 173.57 1fuj n ASN 92 N -0.67 1.50 -3.47 2.29 2.85 -1.26 -4.93 115.26 111.56 1fuj n ASN 92 Ca -0.05 -2.97 -0.19 0.00 -0.11 0.00 0.00 54.58 51.26 1fuj n ASN 92 Cb 0.63 -0.65 0.07 0.00 1.24 0.00 0.00 39.78 41.06 1fuj n ASN 92 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1fuj n ASN 93 N 1.23 -3.32 -4.72 1.20 5.03 -1.26 -4.80 115.26 108.61 1fuj n ASN 93 Ca 0.24 -0.73 -0.42 0.00 0.87 0.00 0.00 54.58 54.54 1fuj n ASN 93 Cb 0.48 -4.73 -0.03 0.00 -1.02 0.00 0.00 39.78 34.49 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 -3.46 3.02 -0.39 3.10 5.04 -1.26 -4.56 117.35 118.84 1fuj s TYR 94 Ca 0.16 0.63 -0.06 0.00 -2.44 0.00 0.00 57.07 55.36 1fuj s TYR 94 Cb -0.03 -3.91 0.08 0.00 0.35 0.00 0.00 41.96 38.45 1fuj s TYR 94 CO 0.77 -3.37 0.20 0.34 -1.34 0.00 0.00 175.55 172.14 1fuj s ASP 95 N 1.25 5.41 0.35 4.32 -1.08 0.11 -4.97 116.67 122.06 1fuj s ASP 95 Ca 0.70 -1.58 0.17 0.00 -0.52 0.00 0.00 52.55 51.33 1fuj s ASP 95 Cb -0.43 -1.90 0.57 0.00 -1.46 0.00 0.00 42.92 39.71 1fuj s ASP 95 CO 0.31 -0.48 1.69 0.00 0.52 0.00 0.00 175.17 177.20 1fuj h ALA 96 N 8.24 0.95 -0.04 3.66 0.00 -1.93 0.36 119.26 130.50 1fuj h ALA 96 Ca -0.20 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1fuj h ALA 96 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1fuj h ALA 96 CO 0.70 0.53 -0.08 1.49 0.00 0.00 0.00 179.25 181.89 1fuj h GLU 97 N 0.00 0.12 -0.00 0.00 4.81 -1.96 -3.26 114.58 114.28 1fuj h GLU 97 Ca -0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1fuj h GLU 97 Cb 0.98 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1fuj h GLU 97 CO 0.05 0.66 -0.41 0.09 -0.73 0.00 0.00 179.01 178.68 1fuj n ASN 98 N -4.71 0.69 -3.50 1.04 3.02 -1.21 -4.97 115.26 105.62 1fuj n ASN 98 Ca -0.08 -0.48 -0.21 0.00 -0.03 0.00 0.00 54.58 53.78 1fuj n ASN 98 Cb 0.34 0.20 0.08 0.00 -0.61 0.00 0.00 39.78 39.79 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 -1.19 -7.30 -4.09 3.52 5.02 0.11 -5.01 118.16 109.22 1fuj n LYS 99 Ca 0.08 0.83 -0.30 0.00 -2.02 0.00 0.00 58.31 56.90 1fuj n LYS 99 Cb 0.34 -5.86 -0.07 0.00 -0.02 0.00 0.00 35.03 29.41 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 -6.83 3.62 -1.42 -0.35 1.43 -0.36 -4.61 118.68 110.17 1fuj s LEU 100 Ca 0.30 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1fuj s LEU 100 Cb -0.13 -2.32 0.05 0.00 0.03 0.00 0.00 46.19 43.81 1fuj s LEU 100 CO 0.73 0.17 0.61 0.59 0.23 0.00 0.00 176.35 178.68 1fuj n ASN 101 N 0.49 -4.81 -3.54 2.29 5.03 -1.26 0.05 115.26 113.50 1fuj n ASN 101 Ca -0.10 -0.40 -0.39 0.00 0.87 0.00 0.00 54.58 54.56 1fuj n ASN 101 Cb 0.52 -3.91 -0.05 0.00 -1.02 0.00 0.00 39.78 35.32 1fuj n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1fuj n ASP 102 N -2.46 2.97 -3.87 6.41 2.03 -1.26 -4.16 116.55 116.20 1fuj n ASP 102 Ca -0.04 -2.62 -0.15 0.00 0.52 0.00 0.00 54.79 52.51 1fuj n ASP 102 Cb 0.57 -1.12 -0.15 0.00 -0.72 0.00 0.00 41.12 39.70 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 4.67 0.15 -0.05 5.18 2.07 -1.26 -3.77 121.20 128.19 1fuj s ILE 103 Ca 0.54 -0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.74 1fuj s ILE 103 Cb 0.14 -0.18 0.03 0.00 0.13 0.00 0.00 42.46 42.58 1fuj s ILE 103 CO 0.08 0.08 0.10 -0.22 -1.91 0.00 0.00 174.94 173.07 1fuj s LEU 104 N 0.33 0.92 -0.26 8.50 2.96 0.21 -4.22 118.68 127.12 1fuj s LEU 104 Ca -0.03 0.20 -0.09 0.00 -0.22 0.00 0.00 54.13 54.00 1fuj s LEU 104 Cb -0.05 0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.82 1fuj s LEU 104 CO -0.01 -0.13 0.11 -0.22 -1.32 0.00 0.00 176.35 174.78 1fuj s LEU 105 N 1.04 3.68 -0.21 -0.68 2.96 -0.92 -0.10 118.68 124.45 1fuj s LEU 105 Ca -0.08 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1fuj s LEU 105 Cb -0.11 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1fuj s LEU 105 CO -0.04 -0.06 0.09 -0.63 -1.32 0.00 0.00 176.35 174.39 1fuj s ILE 106 N 1.66 4.86 -0.32 6.68 1.01 0.10 -1.20 121.20 133.99 1fuj s ILE 106 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 60.65 60.52 1fuj s ILE 106 Cb -0.16 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 1fuj s ILE 106 CO 0.06 0.40 0.57 -1.58 0.00 0.00 0.00 174.94 174.39 1fuj s GLN 107 N 0.82 3.81 0.59 2.79 0.74 0.98 -1.39 119.66 128.00 1fuj s GLN 107 Ca 0.05 0.12 -0.18 0.00 0.05 0.00 0.00 55.36 55.40 1fuj s GLN 107 Cb -0.13 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 1fuj s GLN 107 CO 0.02 -0.58 1.16 -0.51 -0.55 0.00 0.00 175.29 174.84 1fuj s LEU 108 N 2.50 3.63 0.27 3.68 1.43 0.16 -0.47 118.68 129.89 1fuj s LEU 108 Ca 0.22 2.25 -0.01 0.00 -1.03 0.00 0.00 54.13 55.56 1fuj s LEU 108 Cb -0.15 -4.58 0.45 0.00 0.03 0.00 0.00 46.19 41.93 1fuj s LEU 108 CO 0.12 -1.51 1.87 0.77 0.23 0.00 0.00 176.35 177.83 1fuj h SER 109 N 0.79 1.01 -5.20 2.29 4.64 -0.71 -3.39 113.55 112.97 1fuj h SER 109 Ca -0.50 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 60.71 1fuj h SER 109 Cb 1.28 -0.20 -0.15 0.00 -0.31 0.00 0.00 62.40 63.02 1fuj h SER 109 CO 0.55 0.62 -0.68 -0.94 -0.87 0.00 0.00 176.83 175.51 1fuj s SER 110 N -5.87 0.51 0.18 4.97 1.04 -1.26 -4.93 113.70 108.34 1fuj s SER 110 Ca -0.12 -0.97 -0.30 0.00 0.48 0.00 0.00 55.95 55.03 1fuj s SER 110 Cb 0.21 0.19 -0.08 0.00 0.10 0.00 0.00 66.02 66.44 1fuj s SER 110 CO 0.81 -0.58 1.08 -2.84 0.98 0.00 0.00 173.24 172.69 1fuj s PRO 111 N -3.79 4.62 0.69 4.02 0.02 -1.26 -4.75 135.00 134.55 1fuj s PRO 111 Ca 0.06 1.68 -0.15 0.00 0.02 0.00 0.00 61.00 62.62 1fuj s PRO 111 Cb 0.07 -3.28 0.02 0.00 0.02 0.00 0.00 34.50 31.32 1fuj s PRO 111 CO -0.09 0.12 1.13 0.00 -0.33 0.00 0.00 177.00 177.83 1fuj s ALA 112 N -0.33 2.35 -0.63 -1.55 0.00 0.19 -4.93 121.76 116.86 1fuj s ALA 112 Ca 0.48 0.60 -0.21 0.00 0.00 0.00 0.00 51.96 52.83 1fuj s ALA 112 Cb -0.29 -3.35 0.08 0.00 0.00 0.00 0.00 23.12 19.56 1fuj s ALA 112 CO 0.35 -1.47 0.87 1.21 0.00 0.00 0.00 175.76 176.71 1fuj s ASN 113 N -2.52 6.18 -0.59 0.00 3.04 -1.26 -4.88 114.94 114.90 1fuj s ASN 113 Ca 0.68 -1.12 -0.26 0.00 0.04 0.00 0.00 52.86 52.20 1fuj s ASN 113 Cb -0.22 -2.38 -0.04 0.00 -1.54 0.00 0.00 41.25 37.07 1fuj s ASN 113 CO 0.44 -1.32 2.07 -0.76 -3.04 0.00 0.00 177.10 174.49 1fuj s LEU 114 N 3.57 3.31 0.00 3.21 1.43 -1.26 -4.77 118.68 124.17 1fuj s LEU 114 Ca 0.19 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1fuj s LEU 114 Cb -0.19 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1fuj s LEU 114 CO 0.09 -2.62 0.00 -1.54 0.23 0.00 0.00 176.35 172.51 1fuj n SER 115 N 14.10 1.91 -0.08 2.29 3.41 -0.82 -4.99 113.62 129.43 1fuj n SER 115 Ca 0.28 -0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1fuj n SER 115 Cb 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 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 1.00 0.35 -0.64 7.33 0.00 -2.01 -3.20 119.26 122.09 1fuj h ALA 116 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fuj h ALA 116 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1fuj h ALA 116 CO 0.00 -0.10 0.00 0.43 0.00 0.00 0.00 179.25 179.58 1fuj n SER 117 N -4.82 3.69 -3.67 0.00 7.64 -1.26 -4.81 113.62 110.40 1fuj n SER 117 Ca -0.02 -2.09 -0.22 0.00 1.01 0.00 0.00 58.87 57.54 1fuj n SER 117 Cb 0.09 -0.46 -0.18 0.00 -1.01 0.00 0.00 64.21 62.65 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 -1.28 -0.02 0.27 0.44 1.01 -1.21 -4.08 120.40 115.52 1fuj s VAL 118 Ca 0.44 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1fuj s VAL 118 Cb 0.24 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 1fuj s VAL 118 CO 0.28 0.03 0.29 0.00 0.00 0.00 0.00 175.10 175.71 1fuj s ALA 119 N 2.12 0.99 0.57 5.51 0.00 0.15 -1.95 121.76 129.16 1fuj s ALA 119 Ca 0.04 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 50.48 1fuj s ALA 119 Cb -0.13 1.31 0.07 0.00 0.00 0.00 0.00 23.12 24.37 1fuj s ALA 119 CO -0.05 -0.69 0.67 0.95 0.00 0.00 0.00 175.76 176.64 1fuj s THR 120 N -3.75 1.96 0.03 0.00 -4.23 -1.26 -3.43 115.64 104.97 1fuj s THR 120 Ca 0.35 -1.16 -0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1fuj s THR 120 Cb 0.03 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 1fuj s THR 120 CO 0.17 0.00 0.09 0.54 -0.54 0.00 0.00 174.62 174.87 1fuj s VAL 121 N -2.71 0.13 0.38 2.29 0.11 -1.15 -4.73 120.40 114.71 1fuj s VAL 121 Ca 0.53 -1.07 -0.24 0.00 -2.93 0.00 0.00 61.98 58.28 1fuj s VAL 121 Cb -0.05 -0.83 -0.10 0.00 -1.53 0.00 0.00 36.38 33.88 1fuj s VAL 121 CO 0.33 -0.59 0.95 -1.10 -3.33 0.00 0.00 175.10 171.37 1fuj s GLN 122 N -2.45 4.40 0.39 1.54 -0.21 -1.26 -4.78 119.66 117.28 1fuj s GLN 122 Ca -0.06 1.24 -0.04 0.00 0.02 0.00 0.00 55.36 56.52 1fuj s GLN 122 Cb -0.02 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 1fuj s GLN 122 CO -0.04 0.11 0.66 -0.51 -2.12 0.00 0.00 175.29 173.39 1fuj s LEU 123 N -2.61 3.87 0.00 2.90 1.43 -1.26 -2.58 118.68 120.43 1fuj s LEU 123 Ca 0.56 0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 54.33 1fuj s LEU 123 Cb -0.14 -3.65 0.13 0.00 0.03 0.00 0.00 46.19 42.56 1fuj s LEU 123 CO 0.19 -0.38 0.71 -2.65 0.23 0.00 0.00 176.35 174.44 1fuj n PRO 124 N -1.70 -0.90 -3.36 1.29 -0.02 -1.26 -4.90 135.00 124.15 1fuj n PRO 124 Ca -0.01 -1.10 -0.31 0.00 -2.02 0.00 0.00 63.50 60.06 1fuj n PRO 124 Cb 0.55 -0.77 -0.05 0.00 -0.02 0.00 0.00 33.50 33.22 1fuj n PRO 124 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1fuj s GLN 125 N -4.55 3.74 0.13 -0.52 -1.52 -1.26 -4.93 119.66 110.76 1fuj s GLN 125 Ca 0.41 0.20 -0.32 0.00 -1.95 0.00 0.00 55.36 53.69 1fuj s GLN 125 Cb -0.01 -2.63 -0.11 0.00 -0.22 0.00 0.00 33.01 30.03 1fuj s GLN 125 CO 0.29 0.26 1.79 0.94 -0.25 0.00 0.00 175.29 178.32 1fuj n GLN 126 N -0.46 2.70 -1.05 2.91 -0.06 -1.26 -1.86 117.38 118.30 1fuj n GLN 126 Ca -0.00 0.98 -0.02 0.00 -2.00 0.00 0.00 57.00 55.96 1fuj n GLN 126 Cb 0.53 -2.85 -0.01 0.00 -4.06 0.00 0.00 30.24 23.85 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 5.12 -4.12 -4.76 1.69 8.00 0.32 -4.97 116.55 117.83 1fuj n ASP 127 Ca 0.18 0.04 -0.41 0.00 0.71 0.00 0.00 54.79 55.31 1fuj n ASP 127 Cb 0.36 -1.76 -0.02 0.00 -0.02 0.00 0.00 41.12 39.68 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 -1.15 4.23 0.14 -1.24 0.74 -0.78 -4.99 119.66 116.61 1fuj s GLN 128 Ca 0.00 2.38 -0.11 0.00 0.05 0.00 0.00 55.36 57.68 1fuj s GLN 128 Cb 0.00 -3.06 -0.06 0.00 1.10 0.00 0.00 33.01 30.98 1fuj s GLN 128 CO 0.00 -0.42 0.49 -1.25 -0.55 0.00 0.00 175.29 173.55 1fuj s PRO 129 N -1.02 3.85 -0.30 1.67 0.04 -1.26 -4.76 135.00 133.21 1fuj s PRO 129 Ca 0.56 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1fuj s PRO 129 Cb -0.43 -2.89 0.09 0.00 0.04 0.00 0.00 34.50 31.31 1fuj s PRO 129 CO 0.50 0.47 0.07 0.08 0.04 0.00 0.00 177.00 178.16 1fuj s VAL 130 N -1.52 1.23 0.65 -0.36 1.01 -1.26 -5.12 120.40 115.02 1fuj s VAL 130 Ca 0.38 -1.55 -0.11 0.00 0.00 0.00 0.00 61.98 60.70 1fuj s VAL 130 Cb -0.14 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1fuj s VAL 130 CO 0.19 -0.58 1.04 -2.84 0.00 0.00 0.00 175.10 172.92 1fuj s PRO 131 N 1.45 3.31 0.32 2.72 0.02 -1.26 -4.96 135.00 136.60 1fuj s PRO 131 Ca 0.08 0.86 -0.28 0.00 0.02 0.00 0.00 61.00 61.68 1fuj s PRO 131 Cb -0.18 -2.04 -0.13 0.00 0.02 0.00 0.00 34.50 32.17 1fuj s PRO 131 CO -0.19 -0.80 1.19 1.58 -0.33 0.00 0.00 177.00 178.45 1fuj n HIS 132 N -2.86 1.88 0.00 6.54 -0.00 -1.26 -1.55 115.22 117.97 1fuj n HIS 132 Ca 0.07 0.61 0.00 0.00 -0.00 0.00 0.00 57.72 58.40 1fuj n HIS 132 Cb 0.54 -2.35 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 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 1.01 2.62 3.74 1.57 0.00 0.43 -4.94 105.19 109.63 1fuj n GLY 133 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 0.94 -3.87 2.61 -1.04 -0.60 -4.66 114.28 105.66 1fuj n THR 134 Ca 0.00 -0.23 -0.35 0.00 -2.04 0.00 0.00 64.05 61.42 1fuj n THR 134 Cb 0.00 -1.95 -0.10 0.00 -1.82 0.00 0.00 70.33 66.46 1fuj n THR 134 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1fuj s GLN 135 N -0.37 4.00 0.32 -2.82 2.00 -1.26 -0.09 119.66 121.44 1fuj s GLN 135 Ca 0.65 -0.32 0.03 0.00 -2.00 0.00 0.00 55.36 53.72 1fuj s GLN 135 Cb -0.50 -3.32 -0.05 0.00 0.80 0.00 0.00 33.01 29.94 1fuj s GLN 135 CO 0.47 0.20 0.10 0.00 -0.50 0.00 0.00 175.29 175.56 1fuj s LEU 137 N -3.44 2.88 -0.06 0.00 2.96 0.62 -0.55 118.68 121.08 1fuj s LEU 137 Ca 0.35 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1fuj s LEU 137 Cb 0.07 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 1fuj s LEU 137 CO 0.15 0.31 -0.15 0.00 -1.32 0.00 0.00 176.35 175.34 1fuj s ALA 138 N -0.49 2.63 0.13 5.97 0.00 0.24 0.14 121.76 130.38 1fuj s ALA 138 Ca 0.07 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1fuj s ALA 138 Cb -0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1fuj s ALA 138 CO 0.02 0.51 0.07 0.00 0.00 0.00 0.00 175.76 176.36 1fuj s MET 139 N -0.56 0.93 0.00 0.00 0.23 -1.26 0.11 119.30 118.76 1fuj s MET 139 Ca 0.08 -1.41 0.00 0.00 -1.03 0.00 0.00 55.69 53.33 1fuj s MET 139 Cb -0.11 0.25 0.00 0.00 -1.53 0.00 0.00 34.83 33.44 1fuj s MET 139 CO 0.01 -0.27 0.00 0.41 -2.03 0.00 0.00 175.02 173.15 1fuj n GLY 140 N -0.10 1.78 0.77 3.16 0.00 0.55 -4.55 105.19 106.80 1fuj n GLY 140 Ca -0.06 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.70 0.04 -0.66 1.61 8.01 -1.26 -1.66 117.44 122.82 1fuj n TRP 141 Ca 0.00 -0.02 -0.30 0.00 -1.31 0.00 0.00 57.50 55.87 1fuj n TRP 141 Cb 0.00 0.00 0.16 0.00 -2.01 0.00 0.00 31.31 29.46 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 1.28 -2.57 3.64 6.99 0.00 -1.25 -3.20 105.19 110.07 1fuj n GLY 142 Ca 0.16 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 1fuj n GLY 142 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1fuj n ARG 143 N -1.68 1.73 -0.37 1.61 0.63 0.42 -3.36 116.66 115.64 1fuj n ARG 143 Ca 0.02 0.61 0.12 0.00 -0.92 0.00 0.00 57.85 57.67 1fuj n ARG 143 Cb 0.58 -2.09 0.32 0.00 0.45 0.00 0.00 32.46 31.72 1fuj n ARG 143 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1fuj n VAL 144 N 0.39 0.99 0.00 5.15 0.24 -1.26 -1.26 118.33 122.58 1fuj n VAL 144 Ca 0.08 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.38 1fuj n VAL 144 Cb 0.34 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 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 1.66 2.41 0.18 7.63 0.00 -1.26 -4.30 105.19 111.51 1fuj n GLY 145 Ca 0.25 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.52 1fuj n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fuj h ALA 146 N 0.00 1.32 -0.19 4.61 0.00 -1.89 -0.14 119.26 122.98 1fuj h ALA 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fuj h ALA 146 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1fuj h ALA 146 CO 0.00 -0.32 0.00 -2.39 0.00 0.00 0.00 179.25 176.54 1fuj n HIS 147 N -2.04 0.25 -5.01 0.00 1.44 -1.26 -5.02 115.22 103.58 1fuj n HIS 147 Ca -0.01 -0.49 -0.29 0.00 -2.01 0.00 0.00 57.72 54.93 1fuj n HIS 147 Cb 0.47 -0.04 -0.16 0.00 0.12 0.00 0.00 29.99 30.38 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 -0.99 2.58 0.32 4.39 -1.08 -0.06 -5.12 116.67 116.71 1fuj s ASP 148 Ca 0.13 -0.44 -0.25 0.00 -0.52 0.00 0.00 52.55 51.47 1fuj s ASP 148 Cb 0.07 -0.91 -0.15 0.00 -1.46 0.00 0.00 42.92 40.47 1fuj s ASP 148 CO 0.09 0.16 0.55 -2.65 0.52 0.00 0.00 175.17 173.84 1fuj n PRO 150 N 3.29 0.44 -0.40 4.34 -0.02 -1.26 -4.41 135.00 136.98 1fuj n PRO 150 Ca -0.19 0.16 -0.14 0.00 -2.02 0.00 0.00 63.50 61.31 1fuj n PRO 150 Cb 0.52 -1.32 0.13 0.00 -0.02 0.00 0.00 33.50 32.81 1fuj n PRO 150 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1fuj n PRO 151 N 0.87 -1.39 -3.68 0.52 -0.02 -1.26 -4.67 135.00 125.37 1fuj n PRO 151 Ca 0.13 -0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 60.60 1fuj n PRO 151 Cb 0.33 -1.25 -0.10 0.00 -0.02 0.00 0.00 33.50 32.46 1fuj n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fuj s ALA 152 N -2.05 3.54 -0.02 3.55 0.00 -1.20 -4.85 121.76 120.73 1fuj s ALA 152 Ca 0.30 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 1fuj s ALA 152 Cb -0.05 -2.30 -0.16 0.00 0.00 0.00 0.00 23.12 20.60 1fuj s ALA 152 CO 0.25 -0.27 1.06 1.96 0.00 0.00 0.00 175.76 178.76 1fuj h GLN 153 N 7.70 -0.29 -6.56 0.00 4.20 -1.93 -3.45 115.11 114.78 1fuj h GLN 153 Ca -0.37 0.02 -0.52 0.00 0.06 0.00 0.00 58.65 57.84 1fuj h GLN 153 Cb 1.17 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.99 1fuj h GLN 153 CO 0.63 0.08 0.06 0.08 -0.67 0.00 0.00 178.83 179.01 1fuj s VAL 154 N -4.05 4.66 0.17 -0.54 1.01 -1.26 -2.35 120.40 118.04 1fuj s VAL 154 Ca -0.13 1.08 -0.32 0.00 0.00 0.00 0.00 61.98 62.60 1fuj s VAL 154 Cb 0.01 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 1fuj s VAL 154 CO 0.51 0.11 1.74 -0.11 0.00 0.00 0.00 175.10 177.35 1fuj n LEU 155 N 0.44 3.86 -4.58 3.92 7.94 -0.47 -4.78 117.00 123.32 1fuj n LEU 155 Ca -0.01 1.04 -0.28 0.00 -1.11 0.00 0.00 56.01 55.64 1fuj n LEU 155 Cb 0.52 -1.54 -0.09 0.00 0.53 0.00 0.00 43.42 42.84 1fuj n LEU 155 CO 0.43 0.10 -0.41 -1.10 -1.11 0.00 0.00 177.39 175.30 1fuj s GLN 156 N 1.69 2.12 0.14 1.96 -1.52 -0.66 -2.07 119.66 121.32 1fuj s GLN 156 Ca 0.78 -1.13 0.04 0.00 -1.95 0.00 0.00 55.36 53.10 1fuj s GLN 156 Cb -0.53 -2.25 -0.04 0.00 -0.22 0.00 0.00 33.01 29.97 1fuj s GLN 156 CO 0.35 0.47 -0.09 -1.83 -0.25 0.00 0.00 175.29 173.94 1fuj s GLU 157 N -2.53 1.04 -0.22 2.91 -1.05 0.18 -0.33 118.70 118.70 1fuj s GLU 157 Ca 0.23 -1.45 -0.12 0.00 -0.15 0.00 0.00 54.97 53.49 1fuj s GLU 157 Cb -0.10 -0.58 0.07 0.00 -0.44 0.00 0.00 34.13 33.08 1fuj s GLU 157 CO 0.15 0.06 0.53 -1.17 0.95 0.00 0.00 175.26 175.78 1fuj s LEU 158 N -3.16 -0.47 -0.02 1.83 2.96 0.30 -0.48 118.68 119.65 1fuj s LEU 158 Ca 0.17 1.17 -0.30 0.00 -0.22 0.00 0.00 54.13 54.94 1fuj s LEU 158 Cb 0.03 1.81 -0.03 0.00 0.50 0.00 0.00 46.19 48.49 1fuj s LEU 158 CO 0.00 -0.21 1.06 0.20 -1.32 0.00 0.00 176.35 176.07 1fuj s ASN 159 N 1.50 7.25 0.31 3.68 -0.87 -1.26 0.82 114.94 126.37 1fuj s ASN 159 Ca -0.10 1.72 0.03 0.00 -1.57 0.00 0.00 52.86 52.94 1fuj s ASN 159 Cb -0.07 -2.57 -0.06 0.00 -0.02 0.00 0.00 41.25 38.54 1fuj s ASN 159 CO -0.16 -0.38 0.08 0.68 -2.57 0.00 0.00 177.10 174.75 1fuj s VAL 160 N 1.40 0.92 -0.06 1.60 -7.23 0.29 -4.93 120.40 112.39 1fuj s VAL 160 Ca 0.53 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.74 1fuj s VAL 160 Cb -0.22 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.02 1fuj s VAL 160 CO 0.25 0.00 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.96 1fuj s THR 161 N -3.43 1.58 0.09 5.32 2.01 -1.17 -0.90 115.64 119.14 1fuj s THR 161 Ca 0.36 -0.79 -0.31 0.00 0.31 0.00 0.00 61.69 61.26 1fuj s THR 161 Cb 0.08 -1.36 -0.07 0.00 0.01 0.00 0.00 72.50 71.15 1fuj s THR 161 CO 0.15 0.45 1.31 -0.69 -0.69 0.00 0.00 174.62 175.15 1fuj s VAL 162 N 0.12 3.61 0.18 3.82 1.01 0.87 -1.09 120.40 128.92 1fuj s VAL 162 Ca -0.07 1.15 0.06 0.00 0.00 0.00 0.00 61.98 63.12 1fuj s VAL 162 Cb -0.13 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1fuj s VAL 162 CO 0.03 0.09 -0.13 0.68 0.00 0.00 0.00 175.10 175.78 1fuj s VAL 163 N 1.12 1.52 -0.29 2.92 -7.23 -0.02 0.16 120.40 118.58 1fuj s VAL 163 Ca 0.62 -2.15 0.14 0.00 -1.81 0.00 0.00 61.98 58.77 1fuj s VAL 163 Cb -0.34 -1.98 -0.18 0.00 0.56 0.00 0.00 36.38 34.44 1fuj s VAL 163 CO 0.30 -0.65 0.42 0.35 -0.31 0.00 0.00 175.10 175.21 1fuj n THR 164 N -0.32 0.00 -2.27 5.32 -2.24 -1.26 -3.94 114.28 109.57 1fuj n THR 164 Ca -0.09 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 61.04 1fuj n THR 164 Cb 0.61 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 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 -2.64 3.21 -1.48 4.78 -0.12 -1.26 -3.17 117.98 117.30 1fuj s PHE 165 Ca -0.00 1.54 -0.11 0.00 -0.05 0.00 0.00 56.93 58.30 1fuj s PHE 165 Cb 0.09 -3.48 0.07 0.00 -0.63 0.00 0.00 43.02 39.06 1fuj s PHE 165 CO 0.56 -1.33 0.95 0.34 -0.05 0.00 0.00 175.22 175.69 1fuj n PHE 166 N 0.70 -2.28 -4.40 3.49 -0.00 -1.26 -4.70 117.46 109.01 1fuj n PHE 166 Ca 0.01 0.90 -0.20 0.00 -0.00 0.00 0.00 57.45 58.17 1fuj n PHE 166 Cb 0.44 -4.13 -0.10 0.00 -0.00 0.00 0.00 39.48 35.68 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 -3.83 1.74 0.62 0.00 3.52 -1.26 -5.01 118.95 114.74 1fuj s ARG 177 Ca 0.31 -1.15 0.38 0.00 -0.13 0.00 0.00 55.73 55.14 1fuj s ARG 177 Cb 0.06 -1.99 2.03 0.00 -1.56 0.00 0.00 34.95 33.49 1fuj s ARG 177 CO 0.12 0.50 2.25 -1.35 -0.81 0.00 0.00 175.30 176.01 1fuj h PRO 178 N 4.55 0.00 -0.65 5.12 0.11 -2.01 -1.97 132.00 137.15 1fuj h PRO 178 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1fuj h PRO 178 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1fuj h PRO 178 CO 0.43 0.02 0.39 1.25 -0.21 0.00 0.00 178.00 179.88 1fuj h HIS 179 N 0.00 0.84 -0.77 0.65 2.76 -1.98 -3.45 115.15 113.21 1fuj h HIS 179 Ca -0.00 0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.62 1fuj h HIS 179 Cb 0.13 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.78 1fuj h HIS 179 CO 0.00 0.56 -0.29 -0.80 -1.30 0.00 0.00 177.93 176.10 1fuj s ASN 180 N -6.46 4.75 -0.11 3.26 -0.87 -0.74 -3.64 114.94 111.13 1fuj s ASN 180 Ca -0.10 -1.11 0.03 0.00 -1.57 0.00 0.00 52.86 50.11 1fuj s ASN 180 Cb 0.17 0.23 0.01 0.00 -0.02 0.00 0.00 41.25 41.64 1fuj s ASN 180 CO 0.77 -1.06 -0.22 -0.63 -2.57 0.00 0.00 177.10 173.40 1fuj s ILE 181 N -2.71 1.95 0.16 0.60 1.01 -0.48 -4.72 121.20 117.02 1fuj s ILE 181 Ca 0.40 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1fuj s ILE 181 Cb -0.03 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1fuj s ILE 181 CO 0.25 0.53 -0.02 0.00 0.00 0.00 0.00 174.94 175.70 1fuj s THR 183 N -1.66 0.66 -0.07 0.00 -4.23 -0.93 -0.84 115.64 108.57 1fuj s THR 183 Ca 0.27 -1.98 -0.27 0.00 -1.18 0.00 0.00 61.69 58.52 1fuj s THR 183 Cb -0.09 -2.11 0.06 0.00 1.34 0.00 0.00 72.50 71.70 1fuj s THR 183 CO 0.18 -0.48 0.62 0.12 -0.54 0.00 0.00 174.62 174.51 1fuj s PHE 184 N -3.67 -0.59 -0.41 3.99 5.36 -0.25 -1.84 117.98 120.57 1fuj s PHE 184 Ca 0.24 1.07 0.04 0.00 -0.96 0.00 0.00 56.93 57.31 1fuj s PHE 184 Cb 0.06 0.34 0.11 0.00 -0.34 0.00 0.00 43.02 43.19 1fuj s PHE 184 CO 0.04 -0.54 0.14 0.08 -1.46 0.00 0.00 175.22 173.47 1fuj s VAL 185 N -1.03 2.28 -0.53 3.12 1.01 -1.26 -3.06 120.40 120.93 1fuj s VAL 185 Ca -0.10 -2.68 0.00 0.00 0.00 0.00 0.00 61.98 59.20 1fuj s VAL 185 Cb -0.01 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1fuj s VAL 185 CO 0.08 -0.69 0.38 -0.81 0.00 0.00 0.00 175.10 174.05 1fuj n PRO 186 N 3.81 0.51 -0.70 2.72 -0.04 -1.26 -4.61 135.00 135.43 1fuj n PRO 186 Ca 0.04 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 1fuj n PRO 186 Cb 0.38 -1.25 0.12 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.48 -1.39 -2.44 0.54 1.74 -1.26 -5.09 116.66 109.25 1fuj n ARG 186 Ca 0.00 -0.40 -0.39 0.00 -0.77 0.00 0.00 57.85 56.29 1fuj n ARG 186 Cb 0.19 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 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 -3.05 3.23 0.15 5.56 2.47 -1.26 -4.91 119.74 121.93 1fuj s LYS 187 Ca 0.42 -0.59 -0.15 0.00 -1.56 0.00 0.00 55.97 54.10 1fuj s LYS 187 Cb -0.04 -4.88 0.03 0.00 -1.46 0.00 0.00 37.83 31.47 1fuj s LYS 187 CO 0.52 -2.41 0.41 0.00 0.16 0.00 0.00 175.35 174.03 1fuj s ALA 188 N 6.32 -0.77 0.00 3.13 0.00 -1.26 -4.22 121.76 124.96 1fuj s ALA 188 Ca 0.48 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1fuj s ALA 188 Cb -0.04 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1fuj s ALA 188 CO 0.01 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.50 1fuj n GLY 189 N -0.24 0.03 3.79 0.00 0.00 -0.95 -4.52 105.19 103.29 1fuj n GLY 189 Ca -0.13 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.65 3.53 0.38 -0.61 -4.36 -1.26 0.93 121.20 118.16 1fuj s ILE 190 Ca 0.00 0.91 0.05 0.00 -0.26 0.00 0.00 60.65 61.35 1fuj s ILE 190 Cb 0.00 -3.36 -0.02 0.00 1.25 0.00 0.00 42.46 40.33 1fuj s ILE 190 CO 0.00 -0.25 0.19 0.00 0.24 0.00 0.00 174.94 175.12 1fuj s PHE 192 N -3.29 2.81 0.00 0.00 0.08 -1.26 -1.65 117.98 114.67 1fuj s PHE 192 Ca 0.29 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.73 1fuj s PHE 192 Cb 0.02 -4.06 0.00 0.00 -0.57 0.00 0.00 43.02 38.42 1fuj s PHE 192 CO 0.19 -4.04 0.00 0.41 -0.10 0.00 0.00 175.22 171.68 1fuj n GLY 193 N 3.94 2.24 0.02 4.36 0.00 -1.26 0.16 105.19 114.64 1fuj n GLY 193 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 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 0.19 -4.72 1.61 8.00 -0.66 -3.50 116.55 117.47 1fuj n ASP 194 Ca 0.00 0.45 -0.42 0.00 0.71 0.00 0.00 54.79 55.54 1fuj n ASP 194 Cb 0.00 -0.49 -0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 -1.64 3.03 0.00 -2.24 7.64 -1.26 -1.67 113.62 117.47 1fuj n SER 195 Ca 0.07 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1fuj n SER 195 Cb 0.36 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 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 0.68 3.01 3.36 0.23 0.00 -0.46 0.51 105.19 112.52 1fuj n GLY 196 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1fuj n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fuj n GLY 197 N -2.00 -2.78 3.85 -0.02 0.00 -0.67 -3.31 105.19 100.26 1fuj n GLY 197 Ca 0.00 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 1fuj n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fuj s PRO 198 N -4.57 3.11 -0.28 1.61 0.04 -1.26 -1.89 135.00 131.76 1fuj s PRO 198 Ca 0.68 -0.72 -0.05 0.00 0.04 0.00 0.00 61.00 60.94 1fuj s PRO 198 Cb -0.21 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.55 1fuj s PRO 198 CO 0.63 0.52 0.03 -1.17 0.04 0.00 0.00 177.00 177.05 1fuj s LEU 199 N -3.00 3.60 -0.29 -3.56 2.96 0.45 -4.00 118.68 114.83 1fuj s LEU 199 Ca 0.32 -0.73 -0.13 0.00 -0.22 0.00 0.00 54.13 53.37 1fuj s LEU 199 Cb -0.11 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1fuj s LEU 199 CO 0.25 -0.16 0.29 -0.63 -1.32 0.00 0.00 176.35 174.78 1fuj s ILE 200 N 1.45 5.24 -0.25 6.68 -1.09 0.36 -0.67 121.20 132.92 1fuj s ILE 200 Ca 0.02 0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.70 1fuj s ILE 200 Cb -0.17 -3.66 0.06 0.00 -1.58 0.00 0.00 42.46 37.12 1fuj s ILE 200 CO 0.00 0.13 -0.07 0.00 -1.23 0.00 0.00 174.94 173.78 1fuj n ASP 202 N 4.57 -2.31 0.00 0.00 8.00 -1.26 -2.24 116.55 123.31 1fuj n ASP 202 Ca -0.12 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1fuj n ASP 202 Cb 0.43 -5.03 0.00 0.00 -0.02 0.00 0.00 41.12 36.50 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 -1.23 1.88 3.71 0.44 0.00 -1.26 -4.98 105.19 103.75 1fuj n GLY 207 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.35 4.31 -0.27 -0.61 1.09 -0.95 -4.29 121.20 118.13 1fuj s ILE 208 Ca 0.00 -0.60 -0.24 0.00 -1.10 0.00 0.00 60.65 58.71 1fuj s ILE 208 Cb 0.00 -2.95 -0.00 0.00 -1.06 0.00 0.00 42.46 38.44 1fuj s ILE 208 CO 0.00 0.33 0.80 0.27 -0.10 0.00 0.00 174.94 176.24 1fuj s ILE 209 N -1.15 4.83 -0.09 2.92 -4.36 -1.07 -0.04 121.20 122.24 1fuj s ILE 209 Ca 0.22 1.40 0.10 0.00 -0.26 0.00 0.00 60.65 62.10 1fuj s ILE 209 Cb -0.12 -4.11 -0.15 0.00 1.25 0.00 0.00 42.46 39.33 1fuj s ILE 209 CO 0.13 -0.13 0.08 0.00 0.24 0.00 0.00 174.94 175.26 1fuj n GLN 210 N 6.07 1.81 -4.23 0.37 1.13 0.15 -4.10 117.38 118.58 1fuj n GLN 210 Ca 0.04 -0.03 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 1fuj n GLN 210 Cb 0.48 -1.29 -0.10 0.00 0.11 0.00 0.00 30.24 29.44 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 -4.19 1.29 -0.09 1.08 0.00 -1.17 -1.50 107.32 102.74 1fuj s GLY 211 Ca -0.05 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.05 1fuj s GLY 211 CO 0.47 -1.49 -0.11 -0.42 0.00 0.00 0.00 173.10 171.56 1fuj s ILE 212 N -3.83 1.12 -0.34 0.90 1.01 -1.00 0.17 121.20 119.23 1fuj s ILE 212 Ca 0.28 -0.41 -0.37 0.00 0.00 0.00 0.00 60.65 60.15 1fuj s ILE 212 Cb 0.07 -1.07 -0.13 0.00 0.01 0.00 0.00 42.46 41.34 1fuj s ILE 212 CO 0.06 0.37 2.11 0.47 0.00 0.00 0.00 174.94 177.95 1fuj n ASP 213 N 4.32 2.09 -0.07 3.58 9.92 -0.79 -0.20 116.55 135.40 1fuj n ASP 213 Ca -0.18 0.56 -0.15 0.00 -0.53 0.00 0.00 54.79 54.48 1fuj n ASP 213 Cb 0.51 -1.21 -0.05 0.00 -0.64 0.00 0.00 41.12 39.72 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 8.86 1.26 -3.52 -2.24 2.88 -0.57 -1.36 113.62 118.92 1fuj n SER 214 Ca 0.40 0.14 -0.09 0.00 -1.33 0.00 0.00 58.87 57.99 1fuj n SER 214 Cb 0.19 -0.39 -0.03 0.00 -0.75 0.00 0.00 64.21 63.23 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 -2.26 -0.35 0.39 0.66 -0.71 -0.89 -4.97 117.98 109.84 1fuj s PHE 215 Ca -0.20 0.32 0.08 0.00 -1.04 0.00 0.00 56.93 56.09 1fuj s PHE 215 Cb 0.07 0.51 -0.07 0.00 -1.21 0.00 0.00 43.02 42.33 1fuj s PHE 215 CO 0.26 -0.49 0.02 0.14 -1.34 0.00 0.00 175.22 173.81 1fuj s VAL 216 N -2.61 2.20 -0.16 -2.49 -7.23 -1.26 0.40 120.40 109.24 1fuj s VAL 216 Ca 0.03 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1fuj s VAL 216 Cb -0.01 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1fuj s VAL 216 CO -0.06 -0.07 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.01 1fuj s ILE 217 N -2.64 4.07 0.00 -0.62 1.01 -1.26 -4.73 121.20 117.03 1fuj s ILE 217 Ca 0.36 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1fuj s ILE 217 Cb 0.06 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1fuj s ILE 217 CO 0.19 0.49 0.00 1.87 0.00 0.00 0.00 174.94 177.49 1fuj n TRP 218 N 3.50 0.00 -2.80 3.97 -0.00 -1.26 -4.62 117.44 116.24 1fuj n TRP 218 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.33 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 2.15 3.67 5.87 0.00 -1.26 -5.16 105.19 110.46 1fuj n GLY 219 Ca 0.00 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 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 4.17 -2.22 0.21 0.00 0.00 -1.26 -4.84 120.51 116.56 1fuj n ALA 220 Ca -0.14 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.30 1fuj n ALA 220 Cb 0.52 -3.24 0.31 0.00 0.00 0.00 0.00 19.45 17.03 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 -1.71 0.35 -0.04 0.00 1.35 -1.87 -3.44 112.91 107.55 1fuj h THR 221 Ca -0.62 -1.23 -0.02 0.00 -0.55 0.00 0.00 66.41 63.99 1fuj h THR 221 Cb 1.35 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.71 1fuj h THR 221 CO 0.51 0.17 -0.02 0.54 -0.25 0.00 0.00 175.52 176.48 1fuj n ARG 222 N -3.21 -0.80 -0.03 4.72 5.12 -1.26 -4.84 116.66 116.36 1fuj n ARG 222 Ca 0.02 0.27 -0.03 0.00 -1.93 0.00 0.00 57.85 56.18 1fuj n ARG 222 Cb 0.51 -3.91 -0.05 0.00 -1.16 0.00 0.00 32.46 27.85 1fuj n ARG 222 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1fuj n LEU 223 N -0.11 0.04 -4.14 0.55 4.77 -1.26 -5.05 117.00 111.80 1fuj n LEU 223 Ca -0.01 -0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 1fuj n LEU 223 Cb 0.21 0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 1fuj n LEU 223 CO 0.01 0.17 -0.39 -0.36 -1.33 0.00 0.00 177.39 175.50 1fuj s PHE 224 N -2.16 0.82 1.17 -1.77 0.40 -1.26 -5.12 117.98 110.06 1fuj s PHE 224 Ca -0.03 -0.86 -0.17 0.00 -0.60 0.00 0.00 56.93 55.26 1fuj s PHE 224 Cb 0.02 -0.48 0.27 0.00 0.51 0.00 0.00 43.02 43.34 1fuj s PHE 224 CO 0.27 -0.16 1.08 -2.14 0.70 0.00 0.00 175.22 174.97 1fuj s PRO 225 N -3.47 -0.95 0.05 0.24 0.02 -1.26 -4.79 135.00 124.85 1fuj s PRO 225 Ca 0.08 0.20 0.03 0.00 0.02 0.00 0.00 61.00 61.33 1fuj s PRO 225 Cb 0.03 -1.60 -0.04 0.00 0.02 0.00 0.00 34.50 32.91 1fuj s PRO 225 CO -0.04 -3.58 0.00 -0.51 -0.33 0.00 0.00 177.00 172.54 1fuj s ASP 226 N -3.56 5.08 -0.06 2.53 1.01 -0.77 -4.52 116.67 116.40 1fuj s ASP 226 Ca 0.69 -0.10 -0.01 0.00 0.71 0.00 0.00 52.55 53.83 1fuj s ASP 226 Cb -0.14 -1.26 -0.03 0.00 1.01 0.00 0.00 42.92 42.49 1fuj s ASP 226 CO 0.58 0.21 0.01 -0.36 0.21 0.00 0.00 175.17 175.82 1fuj s PHE 227 N -1.23 3.16 0.06 4.23 0.40 0.16 -2.20 117.98 122.57 1fuj s PHE 227 Ca 0.24 0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.78 1fuj s PHE 227 Cb -0.12 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 1fuj s PHE 227 CO 0.15 0.48 -0.13 -0.06 0.70 0.00 0.00 175.22 176.37 1fuj s PHE 228 N -0.97 1.10 0.38 0.36 0.40 -0.14 -1.51 117.98 117.60 1fuj s PHE 228 Ca 0.16 -0.46 -0.26 0.00 -0.60 0.00 0.00 56.93 55.77 1fuj s PHE 228 Cb -0.11 -0.63 -0.09 0.00 0.51 0.00 0.00 43.02 42.70 1fuj s PHE 228 CO 0.06 0.03 1.12 0.99 0.70 0.00 0.00 175.22 178.11 1fuj s THR 229 N -1.26 3.40 -0.72 0.64 2.01 0.72 -1.38 115.64 119.04 1fuj s THR 229 Ca -0.03 1.18 -0.19 0.00 0.31 0.00 0.00 61.69 62.95 1fuj s THR 229 Cb -0.10 -3.66 0.11 0.00 0.01 0.00 0.00 72.50 68.86 1fuj s THR 229 CO 0.02 0.11 0.89 -0.60 -0.69 0.00 0.00 174.62 174.35 1fuj s ARG 230 N -2.21 3.26 0.36 4.92 3.52 -1.24 -2.37 118.95 125.20 1fuj s ARG 230 Ca 0.55 -1.43 0.11 0.00 -0.13 0.00 0.00 55.73 54.82 1fuj s ARG 230 Cb -0.28 -4.45 0.87 0.00 -1.56 0.00 0.00 34.95 29.53 1fuj s ARG 230 CO 0.35 -1.65 1.84 0.28 -0.81 0.00 0.00 175.30 175.31 1fuj h VAL 231 N 5.80 0.75 0.00 7.11 2.07 -1.61 -2.21 116.25 128.17 1fuj h VAL 231 Ca -0.13 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1fuj h VAL 231 Cb 1.06 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1fuj h VAL 231 CO 1.09 0.12 0.03 0.00 0.02 0.00 0.00 177.57 178.83 1fuj h ALA 232 N 1.61 1.03 -0.14 1.67 0.00 -1.83 0.24 119.26 121.84 1fuj h ALA 232 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.27 1fuj h ALA 232 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1fuj h ALA 232 CO -0.24 -0.03 -0.48 -0.07 0.00 0.00 0.00 179.25 178.43 1fuj h LEU 233 N 0.00 0.39 -3.20 0.00 3.38 -1.72 0.92 115.31 115.08 1fuj h LEU 233 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1fuj h LEU 233 Cb 0.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1fuj h LEU 233 CO 0.00 0.81 0.00 -1.22 0.09 0.00 0.00 178.44 178.12 1fuj n TYR 234 N -3.98 0.91 -0.27 1.13 4.01 0.83 -4.68 117.16 115.12 1fuj n TYR 234 Ca -0.02 -0.80 -0.01 0.00 -0.16 0.00 0.00 57.90 56.91 1fuj n TYR 234 Cb 0.54 -0.27 0.11 0.00 -0.31 0.00 0.00 39.34 39.41 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 1.96 1.04 -0.64 -0.72 2.07 -1.64 -1.13 116.25 117.19 1fuj h VAL 235 Ca 0.00 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1fuj h VAL 235 Cb 1.34 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1fuj h VAL 235 CO 0.19 0.16 0.18 0.44 0.02 0.00 0.00 177.57 178.56 1fuj h ASP 236 N 0.85 0.95 -0.29 0.57 3.32 -1.88 -1.52 116.42 118.42 1fuj h ASP 236 Ca 0.32 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1fuj h ASP 236 Cb 0.12 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1fuj h ASP 236 CO -0.15 0.92 0.08 -0.25 -1.72 0.00 0.00 179.24 178.11 1fuj h TRP 237 N 0.93 0.49 -0.72 4.55 7.01 -1.80 -1.72 115.95 124.69 1fuj h TRP 237 Ca 0.20 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 1fuj h TRP 237 Cb 0.33 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 1fuj h TRP 237 CO 0.02 0.52 0.37 0.82 -2.79 0.00 0.00 178.44 177.39 1fuj h ILE 238 N 0.31 1.22 -0.18 2.65 2.04 -0.83 0.20 117.51 122.92 1fuj h ILE 238 Ca 0.09 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1fuj h ILE 238 Cb 0.28 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1fuj h ILE 238 CO -0.00 0.25 -0.05 0.03 0.00 0.00 0.00 178.15 178.38 1fuj h ARG 239 N 1.02 0.35 -0.28 2.37 3.08 -1.19 -0.36 114.38 119.36 1fuj h ARG 239 Ca 0.25 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1fuj h ARG 239 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1fuj h ARG 239 CO -0.04 0.62 -0.22 0.66 -1.07 0.00 0.00 179.97 179.93 1fuj h SER 240 N 0.05 0.53 0.29 7.04 4.64 -1.07 -1.40 113.55 123.63 1fuj h SER 240 Ca 0.04 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 1fuj h SER 240 Cb 0.50 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1fuj h SER 240 CO 0.02 0.75 -0.46 0.74 -0.87 0.00 0.00 176.83 177.01 1fuj h THR 241 N 0.47 1.33 -0.00 2.95 2.02 -0.44 -0.33 112.91 118.91 1fuj h THR 241 Ca 0.07 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1fuj h THR 241 Cb 0.64 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1fuj h THR 241 CO 0.05 0.48 -0.01 0.18 0.37 0.00 0.00 175.52 176.59 1fuj n LEU 242 N -3.99 0.31 0.00 2.58 4.32 -0.16 -5.08 117.00 114.98 1fuj n LEU 242 Ca -0.02 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 1fuj n LEU 242 Cb 0.51 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1fuj n LEU 242 CO 0.42 0.05 0.00 0.54 -1.22 0.00 0.00 177.39 177.18