#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1j h LEU -5 N 0.00 0.84 -1.78 -4.53 5.85 -2.10 -1.47 115.31 112.12 1t1j h LEU -5 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1t1j h LEU -5 Cb 0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1t1j h LEU -5 CO 0.00 0.59 0.00 -1.22 -0.34 0.00 0.00 178.44 177.47 1t1j n TYR -4 N -4.44 0.70 -2.24 1.25 4.02 -1.26 -4.93 117.16 110.26 1t1j n TYR -4 Ca 0.09 -0.32 -0.42 0.00 -0.01 0.00 0.00 57.90 57.24 1t1j n TYR -4 Cb 0.08 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 39.33 1t1j n TYR -4 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1t1j s PHE -3 N -1.49 3.23 -0.06 -0.72 5.36 -0.55 -4.93 117.98 118.82 1t1j s PHE -3 Ca 0.31 1.02 0.12 0.00 -0.96 0.00 0.00 56.93 57.42 1t1j s PHE -3 Cb 0.17 -3.61 0.23 0.00 -0.34 0.00 0.00 43.02 39.47 1t1j s PHE -3 CO 0.19 -2.10 1.11 0.00 -1.46 0.00 0.00 175.22 172.96 1t1j n GLN -2 N 4.18 0.56 -0.21 10.12 10.64 -1.26 -4.80 117.38 136.61 1t1j n GLN -2 Ca 0.11 -1.95 0.05 0.00 -1.83 0.00 0.00 57.00 53.38 1t1j n GLN -2 Cb 0.44 -0.82 0.31 0.00 -0.86 0.00 0.00 30.24 29.31 1t1j n GLN -2 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1t1j h GLY -1 N 0.35 1.04 0.52 2.61 0.00 -2.00 -2.16 103.07 103.44 1t1j h GLY -1 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1t1j h GLY -1 CO 0.02 0.26 -0.26 -2.39 0.00 0.00 0.00 176.54 174.17 1t1j n HIS 0 N -4.47 0.00 -3.15 5.60 1.44 -1.26 -4.94 115.22 108.44 1t1j n HIS 0 Ca 0.11 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.45 1t1j n HIS 0 Cb 0.19 -0.16 -0.06 0.00 0.12 0.00 0.00 29.99 30.07 1t1j n HIS 0 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 1t1j s MET 1 N -2.59 4.23 0.59 -1.40 1.00 -0.81 -5.05 119.30 115.26 1t1j s MET 1 Ca 0.23 0.82 -0.17 0.00 0.00 0.00 0.00 55.69 56.57 1t1j s MET 1 Cb 0.19 -2.96 -0.04 0.00 0.00 0.00 0.00 34.83 32.02 1t1j s MET 1 CO 0.54 0.45 1.09 1.03 0.00 0.00 0.00 175.02 178.13 1t1j s ARG 2 N -1.80 3.21 -0.38 2.03 0.52 -1.26 -4.83 118.95 116.44 1t1j s ARG 2 Ca 0.40 1.38 0.03 0.00 -0.52 0.00 0.00 55.73 57.03 1t1j s ARG 2 Cb -0.17 -2.01 0.11 0.00 0.52 0.00 0.00 34.95 33.40 1t1j s ARG 2 CO 0.21 -0.92 0.11 0.15 0.02 0.00 0.00 175.30 174.87 1t1j s LYS 3 N -3.79 1.48 -0.16 3.54 -0.14 -1.26 -0.98 119.74 118.44 1t1j s LYS 3 Ca 0.67 -1.94 -0.05 0.00 -1.36 0.00 0.00 55.97 53.29 1t1j s LYS 3 Cb -0.19 -3.04 -0.03 0.00 -1.68 0.00 0.00 37.83 32.89 1t1j s LYS 3 CO 0.34 -0.99 0.01 0.42 -0.76 0.00 0.00 175.35 174.36 1t1j s ILE 4 N 0.71 4.30 -0.33 2.17 1.01 -0.04 -0.90 121.20 128.12 1t1j s ILE 4 Ca 0.12 -0.22 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 1t1j s ILE 4 Cb -0.21 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 1t1j s ILE 4 CO -0.08 0.49 0.45 0.12 0.00 0.00 0.00 174.94 175.93 1t1j s PHE 5 N 0.21 3.20 -0.40 3.97 2.19 -0.18 -0.50 117.98 126.46 1t1j s PHE 5 Ca 0.01 0.18 -0.16 0.00 0.33 0.00 0.00 56.93 57.29 1t1j s PHE 5 Cb -0.13 -2.79 0.01 0.00 -1.31 0.00 0.00 43.02 38.80 1t1j s PHE 5 CO 0.02 -0.45 0.35 -1.17 1.83 0.00 0.00 175.22 175.79 1t1j s LEU 6 N 2.24 4.92 0.21 6.12 2.96 0.21 -1.18 118.68 134.15 1t1j s LEU 6 Ca 0.16 -0.72 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 1t1j s LEU 6 Cb -0.16 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 1t1j s LEU 6 CO 0.12 -0.47 0.31 0.00 -1.32 0.00 0.00 176.35 175.00 1t1j s ALA 7 N 1.87 3.90 -0.24 5.97 0.00 -0.20 -2.44 121.76 130.62 1t1j s ALA 7 Ca 0.08 -1.18 -0.26 0.00 0.00 0.00 0.00 51.96 50.60 1t1j s ALA 7 Cb -0.18 -1.70 0.08 0.00 0.00 0.00 0.00 23.12 21.32 1t1j s ALA 7 CO 0.11 0.35 0.77 0.00 0.00 0.00 0.00 175.76 177.00 1t1j n PRO 9 N 2.30 1.32 0.00 0.00 -0.04 -1.26 -4.92 135.00 132.41 1t1j n PRO 9 Ca -0.14 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1t1j n PRO 9 Cb 0.55 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1t1j n PRO 9 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1t1j n TYR 10 N -1.52 0.00 -1.66 0.54 4.19 -1.26 -4.88 117.16 112.57 1t1j n TYR 10 Ca 0.13 0.00 -0.45 0.00 3.31 0.00 0.00 57.90 60.89 1t1j n TYR 10 Cb 0.46 0.26 -0.03 0.00 0.49 0.00 0.00 39.34 40.52 1t1j n TYR 10 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1t1j n SER 11 N -2.14 2.59 -3.47 2.98 7.64 -1.26 -4.46 113.62 115.50 1t1j n SER 11 Ca 0.00 1.15 -0.14 0.00 1.01 0.00 0.00 58.87 60.89 1t1j n SER 11 Cb 0.00 -1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 61.76 1t1j n SER 11 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1t1j s HIS 12 N -0.13 -0.55 0.31 1.43 2.46 -1.26 -5.00 115.29 112.55 1t1j s HIS 12 Ca 0.68 0.54 0.04 0.00 0.47 0.00 0.00 55.06 56.79 1t1j s HIS 12 Cb -0.67 0.49 0.50 0.00 -0.13 0.00 0.00 32.58 32.78 1t1j s HIS 12 CO 0.51 -0.76 1.78 0.00 -2.47 0.00 0.00 174.74 173.79 1t1j h ALA 13 N 2.35 1.21 -2.26 1.58 0.00 -2.02 -3.40 119.26 116.72 1t1j h ALA 13 Ca -0.32 -0.30 -0.64 0.00 0.00 0.00 0.00 54.91 53.65 1t1j h ALA 13 Cb 1.25 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1t1j h ALA 13 CO 0.39 0.51 0.16 0.34 0.00 0.00 0.00 179.25 180.65 1t1j s ASP 14 N -6.81 6.40 0.62 0.00 -1.08 -1.26 -4.93 116.67 109.61 1t1j s ASP 14 Ca -0.07 0.01 0.33 0.00 -0.52 0.00 0.00 52.55 52.30 1t1j s ASP 14 Cb 0.14 -2.33 1.92 0.00 -1.46 0.00 0.00 42.92 41.19 1t1j s ASP 14 CO 0.78 -0.67 2.21 0.00 0.52 0.00 0.00 175.17 178.00 1t1j h ALA 15 N 8.61 1.46 0.00 3.66 0.00 -2.01 -0.12 119.26 130.87 1t1j h ALA 15 Ca -0.26 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1t1j h ALA 15 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1t1j h ALA 15 CO 0.86 -0.12 -0.55 1.49 0.00 0.00 0.00 179.25 180.93 1t1j h GLU 16 N 0.00 0.00 -0.26 0.00 4.57 -1.95 -1.26 114.58 115.68 1t1j h GLU 16 Ca 0.03 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.04 1t1j h GLU 16 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1t1j h GLU 16 CO -0.00 0.55 -0.50 0.28 -1.18 0.00 0.00 179.01 178.16 1t1j h VAL 17 N 0.00 1.29 -0.81 0.32 2.07 -1.42 -1.90 116.25 115.80 1t1j h VAL 17 Ca -0.01 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 1t1j h VAL 17 Cb 1.14 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1t1j h VAL 17 CO 0.07 0.55 0.49 0.58 0.02 0.00 0.00 177.57 179.28 1t1j h VAL 18 N 0.55 1.22 -0.46 2.57 2.07 -1.26 -1.08 116.25 119.86 1t1j h VAL 18 Ca 0.01 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 1t1j h VAL 18 Cb 1.11 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1t1j h VAL 18 CO 0.11 0.23 -0.06 -0.08 0.02 0.00 0.00 177.57 177.79 1t1j h GLU 19 N 1.10 0.81 -0.55 1.57 4.57 -1.15 -1.53 114.58 119.40 1t1j h GLU 19 Ca 0.29 -0.25 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 1t1j h GLU 19 Cb -0.05 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1t1j h GLU 19 CO -0.06 0.85 -0.04 0.37 -1.18 0.00 0.00 179.01 178.96 1t1j h GLN 20 N 0.74 0.97 -0.47 1.92 4.15 -0.89 -1.66 115.11 119.87 1t1j h GLN 20 Ca 0.13 -0.31 -0.07 0.00 0.77 0.00 0.00 58.65 59.17 1t1j h GLN 20 Cb 0.54 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1t1j h GLN 20 CO 0.03 0.98 0.01 0.00 -1.93 0.00 0.00 178.83 177.92 1t1j h ARG 21 N 0.88 0.82 0.11 1.69 3.08 -0.85 -1.02 114.38 119.09 1t1j h ARG 21 Ca 0.15 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1t1j h ARG 21 Cb 0.57 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1t1j h ARG 21 CO 0.03 0.87 -0.12 0.35 -1.07 0.00 0.00 179.97 180.03 1t1j h PHE 22 N 0.67 -0.31 -0.69 3.04 3.57 -1.08 0.43 116.94 122.57 1t1j h PHE 22 Ca 0.13 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1t1j h PHE 22 Cb 0.49 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1t1j h PHE 22 CO 0.04 -0.18 0.32 0.00 -2.23 0.00 0.00 178.31 176.25 1t1j h ARG 23 N -0.26 0.98 -0.58 1.11 2.47 -1.17 0.58 114.38 117.52 1t1j h ARG 23 Ca 0.01 -0.14 -0.07 0.00 -1.26 0.00 0.00 59.98 58.52 1t1j h ARG 23 Cb 0.25 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1t1j h ARG 23 CO -0.04 0.77 0.09 0.00 0.56 0.00 0.00 179.97 181.34 1t1j h ALA 24 N 1.37 0.77 -0.66 0.04 0.00 -0.91 -2.34 119.26 117.53 1t1j h ALA 24 Ca 0.24 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1t1j h ALA 24 Cb 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1t1j h ALA 24 CO -0.03 0.53 0.11 0.00 0.00 0.00 0.00 179.25 179.86 1t1j h ASN 26 N 1.01 0.73 -0.48 0.00 2.35 -0.65 -0.47 115.58 118.08 1t1j h ASN 26 Ca 0.20 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1t1j h ASN 26 Cb 0.44 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1t1j h ASN 26 CO 0.01 0.50 0.24 -0.33 -1.65 0.00 0.00 177.43 176.20 1t1j h GLU 27 N 0.87 0.68 -0.44 0.81 4.39 -1.15 -0.80 114.58 118.94 1t1j h GLU 27 Ca 0.30 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.80 1t1j h GLU 27 Cb 0.07 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1t1j h GLU 27 CO -0.13 0.56 -0.16 0.28 -1.16 0.00 0.00 179.01 178.40 1t1j h VAL 28 N 0.63 1.27 -0.93 3.13 2.07 -1.18 -1.59 116.25 119.64 1t1j h VAL 28 Ca 0.16 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1t1j h VAL 28 Cb 0.10 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1t1j h VAL 28 CO -0.02 0.44 0.55 0.00 0.02 0.00 0.00 177.57 178.56 1t1j h ALA 29 N 0.85 1.22 -0.63 1.67 0.00 -1.00 -1.35 119.26 120.01 1t1j h ALA 29 Ca 0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1t1j h ALA 29 Cb 0.71 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1t1j h ALA 29 CO 0.05 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.10 1t1j h ALA 30 N 1.32 1.06 -0.60 0.00 0.00 -0.82 -1.06 119.26 119.16 1t1j h ALA 30 Ca 0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1t1j h ALA 30 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1t1j h ALA 30 CO -0.06 0.62 0.26 1.15 0.00 0.00 0.00 179.25 181.22 1t1j h THR 31 N 0.94 1.22 -0.40 0.00 2.02 -0.55 -0.41 112.91 115.74 1t1j h THR 31 Ca 0.20 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 1t1j h THR 31 Cb 0.35 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1t1j h THR 31 CO 0.00 0.26 0.06 0.40 0.37 0.00 0.00 175.52 176.62 1t1j h ILE 32 N 0.83 1.24 -0.41 3.11 2.04 -0.88 -1.23 117.51 122.21 1t1j h ILE 32 Ca 0.20 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1t1j h ILE 32 Cb 0.17 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1t1j h ILE 32 CO -0.02 0.30 0.07 0.58 0.00 0.00 0.00 178.15 179.08 1t1j h VAL 33 N 0.51 1.24 -0.68 1.67 2.07 -1.11 -2.65 116.25 117.31 1t1j h VAL 33 Ca 0.12 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1t1j h VAL 33 Cb 0.38 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1t1j h VAL 33 CO 0.01 0.30 0.45 -0.09 0.02 0.00 0.00 177.57 178.26 1t1j h ARG 34 N 0.54 0.86 0.00 1.57 2.43 -0.97 -1.34 114.38 117.46 1t1j h ARG 34 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1t1j h ARG 34 Cb 0.37 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1t1j h ARG 34 CO 0.01 0.57 0.00 0.00 -1.51 0.00 0.00 179.97 179.03 1t1j n ALA 35 N -2.44 1.89 -1.29 2.80 0.00 -0.47 -4.91 120.51 116.09 1t1j n ALA 35 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t1j n ALA 35 Cb 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1t1j n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t1j n GLY 36 N 0.35 0.83 3.21 0.00 0.00 -0.50 -5.08 105.19 104.00 1t1j n GLY 36 Ca 0.06 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1t1j n GLY 36 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t1j s HIS 37 N -2.42 1.11 0.04 1.61 3.76 -1.11 -4.65 115.29 113.62 1t1j s HIS 37 Ca 0.00 -0.81 -0.26 0.00 -0.15 0.00 0.00 55.06 53.84 1t1j s HIS 37 Cb 0.00 -0.59 -0.05 0.00 1.11 0.00 0.00 32.58 33.05 1t1j s HIS 37 CO 0.00 -0.01 0.82 0.08 -0.85 0.00 0.00 174.74 174.77 1t1j s VAL 38 N -3.37 4.75 0.02 -0.90 1.01 -0.15 -4.37 120.40 117.39 1t1j s VAL 38 Ca 0.14 1.73 0.01 0.00 0.00 0.00 0.00 61.98 63.86 1t1j s VAL 38 Cb 0.03 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1t1j s VAL 38 CO -0.02 0.32 -0.04 0.54 0.00 0.00 0.00 175.10 175.90 1t1j s VAL 39 N 0.20 0.25 -0.34 2.92 0.11 -1.26 -0.86 120.40 121.42 1t1j s VAL 39 Ca 0.41 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1t1j s VAL 39 Cb -0.21 -0.31 0.08 0.00 -1.53 0.00 0.00 36.38 34.41 1t1j s VAL 39 CO 0.24 -0.27 0.06 0.12 -3.33 0.00 0.00 175.10 171.92 1t1j s PHE 40 N -0.93 3.50 -0.68 1.54 2.19 0.34 -4.95 117.98 118.99 1t1j s PHE 40 Ca -0.08 -2.41 -0.19 0.00 0.33 0.00 0.00 56.93 54.57 1t1j s PHE 40 Cb -0.07 -2.64 0.11 0.00 -1.31 0.00 0.00 43.02 39.11 1t1j s PHE 40 CO -0.00 -0.91 0.84 0.45 1.83 0.00 0.00 175.22 177.43 1t1j s SER 41 N 1.31 6.29 0.20 6.13 0.15 -1.26 -0.62 113.70 125.89 1t1j s SER 41 Ca 0.03 -1.51 -0.10 0.00 0.70 0.00 0.00 55.95 55.06 1t1j s SER 41 Cb -0.20 -2.34 0.24 0.00 -1.71 0.00 0.00 66.02 62.01 1t1j s SER 41 CO -0.04 -1.15 1.76 -0.61 1.20 0.00 0.00 173.24 174.39 1t1j h GLN 42 N 9.13 0.43 -0.10 5.44 -0.00 -1.88 -1.98 115.11 126.14 1t1j h GLN 42 Ca -0.19 -0.03 -0.20 0.00 -0.00 0.00 0.00 58.65 58.23 1t1j h GLN 42 Cb 1.07 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.45 1t1j h GLN 42 CO 1.10 0.28 -0.75 0.28 0.00 0.00 0.00 178.83 179.74 1t1j h VAL 43 N 0.44 1.34 -0.74 2.39 2.07 -1.91 -0.56 116.25 119.28 1t1j h VAL 43 Ca 0.29 -2.09 0.04 0.00 0.82 0.00 0.00 66.70 65.76 1t1j h VAL 43 Cb 0.31 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 1t1j h VAL 43 CO -0.26 0.64 0.46 0.28 0.02 0.00 0.00 177.57 178.71 1t1j h SER 44 N 0.36 0.75 0.33 0.57 0.02 -1.73 -1.58 113.55 112.27 1t1j h SER 44 Ca -0.04 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.59 1t1j h SER 44 Cb 1.34 -0.16 0.02 0.00 0.14 0.00 0.00 62.40 63.75 1t1j h SER 44 CO 0.14 0.51 -1.54 -0.03 -1.14 0.00 0.00 176.83 174.77 1t1j h MET 45 N 0.89 0.41 0.01 3.45 1.85 -1.33 -3.39 114.93 116.82 1t1j h MET 45 Ca 0.31 -0.70 -0.22 0.00 -0.61 0.00 0.00 59.70 58.47 1t1j h MET 45 Cb 0.06 0.26 -0.00 0.00 0.43 0.00 0.00 31.60 32.35 1t1j h MET 45 CO -0.13 1.32 -0.95 0.66 -0.40 0.00 0.00 176.91 177.41 1t1j h SER 46 N 0.11 0.45 -0.23 1.39 4.64 -1.03 -3.33 113.55 115.56 1t1j h SER 46 Ca -0.26 -0.37 0.03 0.00 -0.47 0.00 0.00 61.79 60.72 1t1j h SER 46 Cb 2.10 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 64.02 1t1j h SER 46 CO 0.22 1.18 0.03 -0.74 -0.87 0.00 0.00 176.83 176.64 1t1j h HIS 47 N 0.18 0.04 -0.26 4.77 2.76 -1.47 0.50 115.15 121.67 1t1j h HIS 47 Ca -0.07 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.08 1t1j h HIS 47 Cb 1.59 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.55 1t1j h HIS 47 CO 0.05 0.00 0.04 -1.35 -1.30 0.00 0.00 177.93 175.37 1t1j h PRO 48 N 0.11 0.38 -0.11 5.26 0.11 -1.77 -1.56 132.00 134.42 1t1j h PRO 48 Ca 0.10 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.94 1t1j h PRO 48 Cb 0.11 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.16 1t1j h PRO 48 CO -0.15 0.38 -0.79 0.82 -0.21 0.00 0.00 178.00 178.05 1t1j h ILE 49 N 0.38 1.32 -0.19 4.15 2.04 -1.44 -3.15 117.51 120.61 1t1j h ILE 49 Ca 0.09 -2.07 -0.01 0.00 1.00 0.00 0.00 64.86 63.87 1t1j h ILE 49 Cb 0.19 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1t1j h ILE 49 CO -0.00 0.64 0.06 0.78 0.00 0.00 0.00 178.15 179.63 1t1j h ASN 50 N 0.43 0.23 0.31 1.72 2.35 0.80 0.11 115.58 121.53 1t1j h ASN 50 Ca -0.05 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1t1j h ASN 50 Cb 1.40 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.71 1t1j h ASN 50 CO 0.15 0.23 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.00 1t1j h LEU 51 N 0.26 0.00 0.00 1.61 3.38 -1.27 -1.12 115.31 118.18 1t1j h LEU 51 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1t1j h LEU 51 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1t1j h LEU 51 CO -0.01 0.09 -0.38 0.00 0.09 0.00 0.00 178.44 178.24 1t1j n LEU 53 N -1.54 6.46 0.21 0.00 4.77 -0.42 -4.69 117.00 121.78 1t1j n LEU 53 Ca 0.06 -3.70 0.14 0.00 -0.03 0.00 0.00 56.01 52.48 1t1j n LEU 53 Cb 0.34 -0.82 0.75 0.00 -2.33 0.00 0.00 43.42 41.37 1t1j n LEU 53 CO 0.33 1.12 0.92 0.00 -1.33 0.00 0.00 177.39 178.44 1t1j h ALA 54 N 1.08 1.00 0.00 -1.18 0.00 -1.68 -0.81 119.26 117.68 1t1j h ALA 54 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1t1j h ALA 54 Cb 2.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.34 1t1j h ALA 54 CO 1.05 -0.00 0.00 1.05 0.00 0.00 0.00 179.25 181.34 1t1j h GLU 55 N 0.00 0.00 -6.08 0.00 9.09 -1.93 -3.45 114.58 112.21 1t1j h GLU 55 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.85 1t1j h GLU 55 Cb 0.01 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.07 1t1j h GLU 55 CO 0.00 0.00 -0.50 -0.51 0.05 0.00 0.00 179.01 178.05 1t1j s LEU 56 N -4.83 4.19 0.66 3.06 1.43 -0.31 -5.12 118.68 117.76 1t1j s LEU 56 Ca 0.08 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1t1j s LEU 56 Cb 0.10 -2.77 0.08 0.00 0.03 0.00 0.00 46.19 43.63 1t1j s LEU 56 CO 0.55 0.07 0.93 1.51 0.23 0.00 0.00 176.35 179.63 1t1j s ASP 57 N -3.14 4.74 0.21 2.29 1.47 -1.26 -4.87 116.67 116.11 1t1j s ASP 57 Ca 0.33 -0.04 -0.12 0.00 1.18 0.00 0.00 52.55 53.90 1t1j s ASP 57 Cb -0.11 -0.57 0.26 0.00 -0.34 0.00 0.00 42.92 42.16 1t1j s ASP 57 CO 0.27 -1.57 1.64 -0.09 0.68 0.00 0.00 175.17 176.09 1t1j h ARG 58 N -0.36 0.03 -0.71 2.11 9.65 -1.99 -1.42 114.38 121.69 1t1j h ARG 58 Ca -0.40 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.44 1t1j h ARG 58 Cb 1.29 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.83 1t1j h ARG 58 CO 0.49 0.02 0.31 0.00 2.80 0.00 0.00 179.97 183.59 1t1j h ALA 59 N 1.62 0.92 -0.46 2.80 0.00 -1.99 0.08 119.26 122.23 1t1j h ALA 59 Ca 0.31 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1t1j h ALA 59 Cb 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1t1j h ALA 59 CO -0.62 0.52 -0.13 0.00 0.00 0.00 0.00 179.25 179.02 1t1j h ALA 60 N 1.15 0.90 -0.57 0.00 0.00 -1.71 -1.78 119.26 117.25 1t1j h ALA 60 Ca 0.24 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1t1j h ALA 60 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1t1j h ALA 60 CO -0.02 0.63 -0.02 0.82 0.00 0.00 0.00 179.25 180.66 1t1j h ILE 61 N 0.77 1.27 -0.58 0.00 2.04 -0.97 -2.41 117.51 117.63 1t1j h ILE 61 Ca 0.12 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 1t1j h ILE 61 Cb 0.65 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1t1j h ILE 61 CO 0.05 0.41 0.05 1.23 0.00 0.00 0.00 178.15 179.89 1t1j h GLY 62 N 0.90 1.04 1.21 5.37 0.00 -0.74 -2.05 103.07 108.82 1t1j h GLY 62 Ca 0.16 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1t1j h GLY 62 CO 0.03 0.65 0.40 -0.09 0.00 0.00 0.00 176.54 177.53 1t1j h ARG 63 N 0.90 1.03 -0.14 4.80 2.43 -1.15 -1.36 114.38 120.89 1t1j h ARG 63 Ca 0.18 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1t1j h ARG 63 Cb 0.45 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1t1j h ARG 63 CO 0.02 0.76 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.14 1t1j h LEU 64 N 1.04 0.26 -1.25 3.80 3.38 -1.02 -3.20 115.31 118.32 1t1j h LEU 64 Ca 0.26 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1t1j h LEU 64 Cb 0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1t1j h LEU 64 CO -0.04 0.56 -0.18 -0.50 0.09 0.00 0.00 178.44 178.36 1t1j h TRP 65 N -0.03 0.00 -0.53 1.13 4.06 -1.22 -3.35 115.95 116.01 1t1j h TRP 65 Ca 0.04 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.09 1t1j h TRP 65 Cb 0.44 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.49 1t1j h TRP 65 CO 0.05 0.18 -0.26 0.00 -3.56 0.00 0.00 178.44 174.85 1t1j h ALA 66 N 1.82 0.08 0.00 1.49 0.00 -1.24 0.98 119.26 122.38 1t1j h ALA 66 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1t1j h ALA 66 Cb 0.67 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1t1j h ALA 66 CO 0.02 -0.60 0.00 -1.00 0.00 0.00 0.00 179.25 177.67 1t1j h PRO 67 N -0.14 0.00 -0.01 0.00 0.13 -1.77 -0.67 132.00 129.54 1t1j h PRO 67 Ca 0.23 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.34 1t1j h PRO 67 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1t1j h PRO 67 CO -0.61 0.00 -0.09 0.28 -0.23 0.00 0.00 178.00 177.36 1t1j h VAL 68 N 0.00 1.53 -0.92 1.56 2.07 -1.40 -1.90 116.25 117.18 1t1j h VAL 68 Ca 0.00 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1t1j h VAL 68 Cb 0.68 2.62 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 1t1j h VAL 68 CO 0.00 0.45 0.56 0.44 0.02 0.00 0.00 177.57 179.04 1t1j h ASP 69 N -0.58 1.11 -0.96 0.57 3.32 -0.75 -2.40 116.42 116.74 1t1j h ASP 69 Ca -0.01 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1t1j h ASP 69 Cb 0.78 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 1t1j h ASP 69 CO 0.02 0.85 0.58 0.00 -1.72 0.00 0.00 179.24 178.98 1t1j h ALA 70 N 1.30 1.22 -0.05 3.45 0.00 -1.10 0.63 119.26 124.72 1t1j h ALA 70 Ca 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1t1j h ALA 70 Cb -0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1t1j h ALA 70 CO -0.06 0.67 -0.01 0.35 0.00 0.00 0.00 179.25 180.20 1t1j h PHE 71 N 1.32 -0.01 -0.47 0.00 3.57 -0.90 -1.36 116.94 119.08 1t1j h PHE 71 Ca 0.34 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 1t1j h PHE 71 Cb -0.07 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1t1j h PHE 71 CO 0.00 -0.01 -0.17 1.88 -2.23 0.00 0.00 178.31 177.78 1t1j h TYR 72 N 0.01 1.03 -0.68 0.41 0.05 -0.99 -2.34 116.97 114.46 1t1j h TYR 72 Ca 0.02 -0.23 0.05 0.00 0.05 0.00 0.00 58.73 58.63 1t1j h TYR 72 Cb 0.03 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.48 1t1j h TYR 72 CO -0.11 1.00 0.45 0.52 -1.05 0.00 0.00 178.16 178.97 1t1j h MET 73 N 0.80 0.71 -0.09 4.88 2.86 -0.68 -1.37 114.93 122.04 1t1j h MET 73 Ca 0.12 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1t1j h MET 73 Cb 0.72 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1t1j h MET 73 CO 0.06 0.47 -0.28 0.22 1.06 0.00 0.00 176.91 178.43 1t1j h ASP 74 N 0.73 0.16 0.06 1.22 3.58 -0.70 -3.10 116.42 118.37 1t1j h ASP 74 Ca 0.28 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1t1j h ASP 74 Cb 0.20 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1t1j h ASP 74 CO -0.09 0.45 -0.57 1.41 -2.88 0.00 0.00 179.24 177.56 1t1j n HIS 75 N -4.15 0.00 -3.69 0.28 8.25 -0.81 -4.95 115.22 110.14 1t1j n HIS 75 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 1t1j n HIS 75 Cb 0.37 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.43 1t1j n HIS 75 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1t1j s LEU 76 N -2.64 4.14 -0.05 2.41 1.43 -0.58 -5.05 118.68 118.34 1t1j s LEU 76 Ca 0.16 0.06 0.20 0.00 -1.03 0.00 0.00 54.13 53.52 1t1j s LEU 76 Cb 0.18 -2.90 -0.27 0.00 0.03 0.00 0.00 46.19 43.23 1t1j s LEU 76 CO 0.64 -0.24 0.45 -0.62 0.23 0.00 0.00 176.35 176.82 1t1j n GLU 77 N -1.56 0.66 -3.82 1.70 -0.58 -0.07 -4.96 120.64 112.00 1t1j n GLU 77 Ca -0.05 -0.08 -0.10 0.00 -0.42 0.00 0.00 57.16 56.51 1t1j n GLU 77 Cb 0.57 -1.58 -0.05 0.00 -0.57 0.00 0.00 31.44 29.81 1t1j n GLU 77 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1t1j s GLU 78 N -3.18 1.23 -0.09 3.49 -1.05 -0.83 -4.21 118.70 114.06 1t1j s GLU 78 Ca -0.07 -0.97 0.04 0.00 -0.15 0.00 0.00 54.97 53.82 1t1j s GLU 78 Cb 0.11 0.45 -0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1t1j s GLU 78 CO 0.87 -0.49 -0.23 -1.17 0.95 0.00 0.00 175.26 175.19 1t1j s LEU 79 N -2.90 2.06 -0.14 1.83 2.96 -0.31 -1.01 118.68 121.17 1t1j s LEU 79 Ca 0.11 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1t1j s LEU 79 Cb 0.01 -1.36 0.01 0.00 0.50 0.00 0.00 46.19 45.35 1t1j s LEU 79 CO -0.03 0.17 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.32 1t1j s ILE 80 N 0.23 2.04 -0.27 6.68 1.01 -0.33 -1.57 121.20 129.00 1t1j s ILE 80 Ca -0.15 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.42 1t1j s ILE 80 Cb -0.17 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1t1j s ILE 80 CO 0.07 0.55 0.19 -0.69 0.00 0.00 0.00 174.94 175.06 1t1j s VAL 81 N 0.79 5.32 -0.52 2.92 1.01 -0.03 -1.03 120.40 128.85 1t1j s VAL 81 Ca -0.08 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 1t1j s VAL 81 Cb -0.16 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1t1j s VAL 81 CO -0.01 0.27 1.26 -0.22 0.00 0.00 0.00 175.10 176.40 1t1j s LEU 82 N 1.56 3.51 -1.45 3.92 2.96 -0.18 -0.27 118.68 128.74 1t1j s LEU 82 Ca 0.08 0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 54.27 1t1j s LEU 82 Cb -0.15 -3.32 0.04 0.00 0.50 0.00 0.00 46.19 43.26 1t1j s LEU 82 CO 0.09 -1.46 2.51 -0.90 -1.32 0.00 0.00 176.35 175.27 1t1j n ASP 83 N 8.58 7.37 -4.82 3.68 5.75 -1.26 -4.32 116.55 131.53 1t1j n ASP 83 Ca 0.12 -2.89 -0.32 0.00 -0.01 0.00 0.00 54.79 51.69 1t1j n ASP 83 Cb 0.49 -1.49 0.02 0.00 -1.03 0.00 0.00 41.12 39.11 1t1j n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1t1j s LEU 84 N -0.44 3.32 0.21 -2.12 1.43 -1.26 -4.89 118.68 114.93 1t1j s LEU 84 Ca 0.57 1.66 -0.31 0.00 -1.03 0.00 0.00 54.13 55.02 1t1j s LEU 84 Cb 0.16 -4.51 -0.15 0.00 0.03 0.00 0.00 46.19 41.73 1t1j s LEU 84 CO -0.07 -1.19 1.14 -2.65 0.23 0.00 0.00 176.35 173.81 1t1j n PRO 85 N -2.55 1.30 0.00 1.29 -0.02 -1.26 -1.33 135.00 132.43 1t1j n PRO 85 Ca 0.08 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1t1j n PRO 85 Cb 0.53 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1t1j n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t1j n GLY 86 N 1.81 0.98 0.27 -1.23 0.00 -1.26 -4.95 105.19 100.81 1t1j n GLY 86 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1t1j n GLY 86 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1t1j h TRP 87 N 0.00 0.38 0.00 1.61 5.08 -1.55 -1.74 115.95 119.73 1t1j h TRP 87 Ca 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.94 1t1j h TRP 87 Cb 0.00 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 26.04 1t1j h TRP 87 CO 0.00 0.39 0.00 0.00 -1.28 0.00 0.00 178.44 177.55 1t1j h ARG 88 N 0.37 0.00 -0.03 0.12 3.08 -1.93 -2.98 114.38 113.02 1t1j h ARG 88 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1t1j h ARG 88 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1t1j h ARG 88 CO 0.01 0.00 -0.08 -0.25 -1.07 0.00 0.00 179.97 178.57 1t1j n ASP 89 N -2.76 2.62 -4.56 7.04 8.00 -0.67 -4.88 116.55 121.34 1t1j n ASP 89 Ca 0.02 -1.84 -0.43 0.00 0.71 0.00 0.00 54.79 53.25 1t1j n ASP 89 Cb 0.30 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 1t1j n ASP 89 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1t1j s SER 90 N -2.09 6.46 0.38 -2.24 0.15 -1.11 -4.91 113.70 110.34 1t1j s SER 90 Ca 0.28 0.02 0.06 0.00 0.70 0.00 0.00 55.95 57.01 1t1j s SER 90 Cb 0.20 -2.48 0.79 0.00 -1.71 0.00 0.00 66.02 62.82 1t1j s SER 90 CO 0.35 -1.20 2.01 0.00 1.20 0.00 0.00 173.24 175.60 1t1j h ALA 91 N 9.25 1.70 -0.39 5.45 0.00 -1.89 -1.90 119.26 131.48 1t1j h ALA 91 Ca -0.25 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1t1j h ALA 91 Cb 1.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1t1j h ALA 91 CO 1.09 0.24 -0.01 0.78 0.00 0.00 0.00 179.25 181.35 1t1j h GLY 92 N 0.67 0.75 0.91 0.00 0.00 -1.97 -1.88 103.07 101.54 1t1j h GLY 92 Ca 0.23 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1t1j h GLY 92 CO -0.06 0.51 0.09 -2.22 0.00 0.00 0.00 176.54 174.86 1t1j h ILE 93 N 0.51 1.22 -0.84 2.60 2.04 -1.80 -1.50 117.51 119.74 1t1j h ILE 93 Ca 0.11 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.30 1t1j h ILE 93 Cb 0.48 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 1t1j h ILE 93 CO 0.02 0.24 0.52 0.03 0.00 0.00 0.00 178.15 178.96 1t1j h ARG 94 N 0.38 0.93 -0.67 2.37 2.47 -1.25 0.53 114.38 119.14 1t1j h ARG 94 Ca 0.10 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.69 1t1j h ARG 94 Cb 0.28 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1t1j h ARG 94 CO -0.00 0.62 0.12 0.00 0.56 0.00 0.00 179.97 181.27 1t1j h ARG 95 N 0.96 1.10 -0.45 0.04 3.08 -1.10 -0.97 114.38 117.04 1t1j h ARG 95 Ca 0.36 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1t1j h ARG 95 Cb 0.14 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1t1j h ARG 95 CO -0.16 0.99 0.24 0.93 -1.07 0.00 0.00 179.97 180.90 1t1j h GLU 96 N 1.03 0.64 -0.67 0.04 5.08 -0.55 0.26 114.58 120.41 1t1j h GLU 96 Ca 0.21 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1t1j h GLU 96 Cb 0.42 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1t1j h GLU 96 CO 0.01 0.52 0.29 0.52 -1.00 0.00 0.00 179.01 179.35 1t1j h MET 97 N 0.59 1.00 -0.45 2.33 2.86 -0.65 -2.27 114.93 118.34 1t1j h MET 97 Ca 0.16 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 1t1j h MET 97 Cb 0.08 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1t1j h MET 97 CO -0.02 0.82 -0.12 0.93 1.06 0.00 0.00 176.91 179.58 1t1j h GLU 98 N 0.95 0.83 -0.29 1.72 5.08 -0.89 -1.22 114.58 120.77 1t1j h GLU 98 Ca 0.23 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1t1j h GLU 98 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1t1j h GLU 98 CO -0.02 0.91 0.16 0.35 -1.00 0.00 0.00 179.01 179.41 1t1j h PHE 99 N 0.75 0.39 -0.26 4.33 3.57 -0.65 0.57 116.94 125.64 1t1j h PHE 99 Ca 0.12 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 1t1j h PHE 99 Cb 0.62 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1t1j h PHE 99 CO 0.03 0.32 -0.19 0.74 -2.23 0.00 0.00 178.31 176.99 1t1j h PHE 100 N 0.35 0.69 -0.78 0.41 0.04 -1.36 -2.85 116.94 113.43 1t1j h PHE 100 Ca 0.10 -0.19 0.01 0.00 2.80 0.00 0.00 57.97 60.69 1t1j h PHE 100 Cb 0.06 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 1t1j h PHE 100 CO -0.03 0.87 0.52 0.93 -0.60 0.00 0.00 178.31 179.99 1t1j h GLU 101 N 0.31 1.03 -0.05 1.51 5.08 -1.09 -0.81 114.58 120.56 1t1j h GLU 101 Ca 0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1t1j h GLU 101 Cb 0.72 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1t1j h GLU 101 CO 0.05 0.69 0.00 0.00 -1.00 0.00 0.00 179.01 178.75 1t1j h ALA 102 N 1.28 1.91 -0.36 3.43 0.00 -0.83 -1.20 119.26 123.49 1t1j h ALA 102 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1t1j h ALA 102 Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1t1j h ALA 102 CO -0.06 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1t1j n GLY 103 N -1.44 0.70 2.27 0.00 0.00 -0.65 -4.92 105.19 101.16 1t1j n GLY 103 Ca -0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 1t1j n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t1j n GLY 104 N 1.08 0.82 3.91 -0.02 0.00 -0.45 -5.02 105.19 105.50 1t1j n GLY 104 Ca 0.12 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1t1j n GLY 104 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t1j s GLN 105 N -2.18 3.55 0.30 1.61 -0.21 -0.40 -5.01 119.66 117.31 1t1j s GLN 105 Ca 0.00 -0.23 -0.29 0.00 0.02 0.00 0.00 55.36 54.85 1t1j s GLN 105 Cb 0.00 -2.91 -0.10 0.00 1.00 0.00 0.00 33.01 31.00 1t1j s GLN 105 CO 0.00 0.51 1.41 0.50 -2.12 0.00 0.00 175.29 175.59 1t1j s ARG 106 N -2.69 4.26 -0.13 2.91 3.52 -1.26 -4.01 118.95 121.55 1t1j s ARG 106 Ca 0.39 2.33 -0.01 0.00 -0.13 0.00 0.00 55.73 58.31 1t1j s ARG 106 Cb -0.12 -3.07 0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1t1j s ARG 106 CO 0.26 -0.38 -0.04 0.08 -0.81 0.00 0.00 175.30 174.41 1t1j s VAL 107 N -0.52 0.92 0.13 7.11 1.01 -1.26 -1.16 120.40 126.63 1t1j s VAL 107 Ca 0.55 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1t1j s VAL 107 Cb -0.42 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1t1j s VAL 107 CO 0.49 0.20 -0.11 -0.44 0.00 0.00 0.00 175.10 175.25 1t1j s SER 108 N 1.73 1.74 -0.01 3.32 0.01 -0.61 -5.01 113.70 114.87 1t1j s SER 108 Ca 0.03 -0.92 -0.10 0.00 1.31 0.00 0.00 55.95 56.27 1t1j s SER 108 Cb -0.14 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 1t1j s SER 108 CO -0.08 -0.28 0.30 -0.76 0.41 0.00 0.00 173.24 172.84 1t1j s LEU 109 N -2.83 4.40 0.26 2.44 1.43 -1.26 -0.85 118.68 122.27 1t1j s LEU 109 Ca 0.12 0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1t1j s LEU 109 Cb -0.00 -2.55 0.47 0.00 0.03 0.00 0.00 46.19 44.13 1t1j s LEU 109 CO 0.01 0.30 1.80 -0.25 0.23 0.00 0.00 176.35 178.44 1t1j h TRP 110 N 4.39 0.88 -0.30 0.29 2.91 -0.99 -0.13 115.95 123.00 1t1j h TRP 110 Ca -0.52 0.03 0.05 0.00 1.13 0.00 0.00 58.89 59.59 1t1j h TRP 110 Cb 1.21 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 29.58 1t1j h TRP 110 CO 0.71 0.31 0.20 0.66 -1.03 0.00 0.00 178.44 179.29 1t1j h SER 111 N 0.77 0.16 1.25 2.65 4.64 -1.94 0.18 113.55 121.26 1t1j h SER 111 Ca 0.44 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.63 1t1j h SER 111 Cb 0.48 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1t1j h SER 111 CO -0.29 0.10 -0.60 -0.33 -0.87 0.00 0.00 176.83 174.85 1t1j h GLU 112 N 0.18 0.00 -0.01 4.77 5.08 -1.43 -3.38 114.58 119.80 1t1j h GLU 112 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1t1j h GLU 112 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1t1j h GLU 112 CO -0.02 0.60 0.00 1.33 -1.00 0.00 0.00 179.01 179.92 1t1j n VAL 113 N -3.32 0.28 -0.25 3.13 0.24 -0.82 -4.71 118.33 112.88 1t1j n VAL 113 Ca 0.01 -0.64 0.18 0.00 -2.04 0.00 0.00 64.34 61.85 1t1j n VAL 113 Cb 0.74 0.87 0.49 0.00 -1.47 0.00 0.00 33.84 34.47 1t1j n VAL 113 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1t1j h GLU 114 N 0.10 0.44 0.00 7.34 4.81 -1.16 0.15 114.58 126.26 1t1j h GLU 114 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1t1j h GLU 114 Cb 0.16 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1t1j h GLU 114 CO 0.00 0.29 0.00 1.12 -0.73 0.00 0.00 179.01 179.69 1t1j h HIS 115 N 0.45 0.00 0.00 0.92 2.07 -1.86 -2.18 115.15 114.56 1t1j h HIS 115 Ca 0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.99 1t1j h HIS 115 Cb 1.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.09 1t1j h HIS 115 CO -0.00 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.25 1t1j n GLU 116 N -2.77 0.01 -0.42 5.12 1.02 0.54 -2.55 120.64 121.60 1t1j n GLU 116 Ca -0.01 0.11 0.08 0.00 -0.02 0.00 0.00 57.16 57.32 1t1j n GLU 116 Cb 0.16 -1.51 0.25 0.00 -0.02 0.00 0.00 31.44 30.32 1t1j n GLU 116 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1t1j n PHE 117 N -1.52 0.94 -0.71 -0.32 3.72 -0.82 -5.19 117.46 113.56 1t1j n PHE 117 Ca 0.05 -0.73 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 1t1j n PHE 117 Cb 0.27 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 1t1j n PHE 117 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25