#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aby n GLN 2 N 0.00 3.28 -3.51 0.03 10.64 -1.26 -4.53 117.38 122.03 2aby n GLN 2 Ca 0.00 -4.03 -0.08 0.00 -1.83 0.00 0.00 57.00 51.06 2aby n GLN 2 Cb 0.00 -2.16 -0.02 0.00 -0.86 0.00 0.00 30.24 27.20 2aby n GLN 2 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 2aby s LYS 3 N -3.56 0.81 0.00 2.61 0.00 -1.26 -4.95 119.74 113.40 2aby s LYS 3 Ca 0.48 -0.29 0.00 0.00 0.00 0.00 0.00 55.97 56.16 2aby s LYS 3 Cb 0.40 0.37 0.00 0.00 0.00 0.00 0.00 37.83 38.60 2aby s LYS 3 CO 0.02 -0.35 0.00 0.41 0.00 0.00 0.00 175.35 175.43 2aby n GLY 4 N -0.23 1.56 3.14 0.59 0.00 -1.26 -5.06 105.19 103.93 2aby n GLY 4 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 2aby n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aby s LEU 5 N 0.00 2.48 -0.31 0.99 2.01 -1.26 -3.61 118.68 118.98 2aby s LEU 5 Ca 0.00 -0.96 -0.14 0.00 0.01 0.00 0.00 54.13 53.04 2aby s LEU 5 Cb 0.00 -0.00 -0.03 0.00 0.01 0.00 0.00 46.19 46.17 2aby s LEU 5 CO 0.00 -0.48 0.31 -1.61 1.01 0.00 0.00 176.35 175.58 2aby s GLU 6 N -3.62 3.74 0.04 1.70 2.02 -1.26 -3.73 118.70 117.59 2aby s GLU 6 Ca 0.08 -0.33 0.05 0.00 0.02 0.00 0.00 54.97 54.79 2aby s GLU 6 Cb 0.04 -3.74 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 2aby s GLU 6 CO -0.06 -0.38 -0.13 0.96 0.02 0.00 0.00 175.26 175.67 2aby s ILE 7 N 1.93 1.04 0.06 -1.63 -0.00 0.42 -5.00 121.20 118.01 2aby s ILE 7 Ca 0.11 -1.01 0.06 0.00 -0.00 0.00 0.00 60.65 59.81 2aby s ILE 7 Cb -0.16 -0.96 -0.03 0.00 -0.00 0.00 0.00 42.46 41.31 2aby s ILE 7 CO 0.11 -0.04 -0.17 0.00 -0.00 0.00 0.00 174.94 174.84 2aby s ALA 8 N -0.90 1.44 -0.08 2.27 0.00 -1.26 -1.18 121.76 122.04 2aby s ALA 8 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2aby s ALA 8 Cb -0.08 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2aby s ALA 8 CO 0.01 0.28 -0.08 0.12 0.00 0.00 0.00 175.76 176.10 2aby s PHE 9 N -0.96 1.26 0.02 0.00 5.36 -0.61 -4.79 117.98 118.26 2aby s PHE 9 Ca 0.03 -0.52 0.00 0.00 -0.96 0.00 0.00 56.93 55.48 2aby s PHE 9 Cb -0.09 -1.03 -0.04 0.00 -0.34 0.00 0.00 43.02 41.52 2aby s PHE 9 CO 0.02 -0.36 0.11 -1.14 -1.46 0.00 0.00 175.22 172.39 2aby s GLN 10 N 1.27 3.13 -0.18 10.12 0.74 -1.20 -1.17 119.66 132.37 2aby s GLN 10 Ca -0.04 -0.50 -0.00 0.00 0.05 0.00 0.00 55.36 54.87 2aby s GLN 10 Cb -0.14 -2.89 0.04 0.00 1.10 0.00 0.00 33.01 31.13 2aby s GLN 10 CO -0.03 0.63 -0.07 -0.08 -0.55 0.00 0.00 175.29 175.19 2aby s THR 11 N -1.30 1.28 0.00 -0.34 -1.32 0.69 -4.95 115.64 109.70 2aby s THR 11 Ca 0.27 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 2aby s THR 11 Cb -0.12 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.43 2aby s THR 11 CO 0.18 0.13 0.00 2.30 -2.21 0.00 0.00 174.62 175.02 2aby n ILE 12 N 4.81 0.00 0.26 5.08 -6.64 -1.26 -1.62 119.36 119.99 2aby n ILE 12 Ca -0.13 -0.46 0.13 0.00 -1.77 0.00 0.00 62.75 60.53 2aby n ILE 12 Cb 0.47 0.98 0.73 0.00 -1.44 0.00 0.00 39.64 40.38 2aby n ILE 12 CO 0.00 0.00 0.00 -1.13 -1.77 0.00 0.00 176.55 173.65 2aby h ASN 13 N 0.00 0.00 0.00 7.28 -0.73 -1.98 -3.47 115.58 116.68 2aby h ASN 13 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2aby h ASN 13 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2aby h ASN 13 CO 0.00 0.11 0.00 0.61 -0.37 0.00 0.00 177.43 177.78 2aby n GLY 14 N -0.67 2.24 1.47 1.57 0.00 -1.26 -4.67 105.19 103.88 2aby n GLY 14 Ca -0.02 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 45.61 2aby n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aby n LEU 15 N 0.00 4.32 -0.14 0.99 4.77 -1.26 -4.12 117.00 121.56 2aby n LEU 15 Ca 0.00 -2.19 0.15 0.00 -0.03 0.00 0.00 56.01 53.94 2aby n LEU 15 Cb 0.00 -0.62 0.78 0.00 -2.33 0.00 0.00 43.42 41.25 2aby n LEU 15 CO 0.00 0.53 1.01 -0.67 -1.33 0.00 0.00 177.39 176.93 2aby n ASP 16 N 0.49 0.44 -0.25 -1.43 -0.08 -1.26 -3.94 116.55 110.51 2aby n ASP 16 Ca 0.20 -1.00 0.23 0.00 -1.51 0.00 0.00 54.79 52.71 2aby n ASP 16 Cb 0.91 -0.03 0.58 0.00 2.34 0.00 0.00 41.12 44.91 2aby n ASP 16 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2aby h GLU 17 N 0.66 0.27 -0.17 -0.67 -0.00 -1.99 0.09 114.58 112.77 2aby h GLU 17 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.36 59.34 2aby h GLU 17 Cb 0.20 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 28.88 2aby h GLU 17 CO 0.00 0.18 0.09 0.66 -0.00 0.00 0.00 179.01 179.94 2aby h SER 18 N 0.28 0.21 -0.33 3.06 4.64 -1.94 -0.25 113.55 119.22 2aby h SER 18 Ca 0.50 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.68 2aby h SER 18 Cb 1.45 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 2aby h SER 18 CO -0.15 0.24 0.05 0.25 -0.87 0.00 0.00 176.83 176.34 2aby h LEU 19 N 0.17 0.54 0.09 5.97 6.46 -1.31 0.25 115.31 127.47 2aby h LEU 19 Ca 0.06 -0.27 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 2aby h LEU 19 Cb 0.08 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 2aby h LEU 19 CO -0.01 0.67 -0.12 0.58 -0.62 0.00 0.00 178.44 178.94 2aby h VAL 20 N 0.39 0.71 -0.12 1.05 2.07 -1.15 0.37 116.25 119.57 2aby h VAL 20 Ca 0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2aby h VAL 20 Cb 0.37 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2aby h VAL 20 CO 0.01 0.00 -0.01 1.56 0.02 0.00 0.00 177.57 179.14 2aby h GLN 21 N -0.25 0.22 0.11 1.57 1.08 -1.02 -0.51 115.11 116.31 2aby h GLN 21 Ca 0.02 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2aby h GLN 21 Cb 0.26 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 2aby h GLN 21 CO -0.06 0.49 -0.17 0.00 -0.95 0.00 0.00 178.83 178.14 2aby h ALA 22 N 0.72 -0.30 -0.19 3.87 0.00 -0.39 -1.17 119.26 121.80 2aby h ALA 22 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2aby h ALA 22 Cb 0.40 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2aby h ALA 22 CO 0.01 -0.70 -0.04 1.37 0.00 0.00 0.00 179.25 179.89 2aby h LEU 23 N -0.34 0.26 0.35 0.00 8.10 -0.28 -1.28 115.31 122.11 2aby h LEU 23 Ca 0.02 -0.04 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 2aby h LEU 23 Cb 0.36 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.51 2aby h LEU 23 CO -0.09 0.35 -0.17 0.00 -4.11 0.00 0.00 178.44 174.42 2aby h ALA 24 N 1.69 -0.46 -0.36 0.17 0.00 -0.41 -0.53 119.26 119.34 2aby h ALA 24 Ca 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2aby h ALA 24 Cb 0.26 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2aby h ALA 24 CO 0.01 -0.69 0.06 0.78 0.00 0.00 0.00 179.25 179.41 2aby h GLY 25 N -0.61 0.65 0.91 0.00 0.00 -1.08 -1.74 103.07 101.20 2aby h GLY 25 Ca -0.05 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 46.87 2aby h GLY 25 CO 0.08 0.40 0.50 -2.08 0.00 0.00 0.00 176.54 175.44 2aby h VAL 26 N 0.44 1.14 0.27 4.60 2.07 -1.24 0.13 116.25 123.67 2aby h VAL 26 Ca 0.11 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2aby h VAL 26 Cb 0.36 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2aby h VAL 26 CO 0.01 0.18 -0.13 0.74 0.02 0.00 0.00 177.57 178.39 2aby h THR 27 N 0.99 0.77 -0.84 2.57 2.02 -0.98 0.30 112.91 117.75 2aby h THR 27 Ca 0.31 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 67.02 2aby h THR 27 Cb -0.02 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 2aby h THR 27 CO -0.10 0.10 0.55 0.00 0.37 0.00 0.00 175.52 176.44 2aby h ALA 28 N 0.00 1.48 -0.01 6.16 0.00 -1.16 0.11 119.26 125.84 2aby h ALA 28 Ca -0.04 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 2aby h ALA 28 Cb 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2aby h ALA 28 CO 0.06 0.44 -0.80 1.03 0.00 0.00 0.00 179.25 179.99 2aby h SER 29 N 1.05 0.19 1.68 0.00 0.87 -0.66 -3.06 113.55 113.62 2aby h SER 29 Ca 0.33 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2aby h SER 29 Cb 0.02 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2aby h SER 29 CO -0.09 0.91 0.00 -0.78 -0.53 0.00 0.00 176.83 176.33 2aby h ASP 30 N 0.09 0.00 -2.65 6.23 3.58 0.46 -3.36 116.42 120.78 2aby h ASP 30 Ca -0.03 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.75 2aby h ASP 30 Cb 1.39 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 42.07 2aby h ASP 30 CO 0.12 0.00 -0.14 0.49 -2.88 0.00 0.00 179.24 176.83 2aby n PHE 31 N -2.75 3.37 0.36 0.28 3.72 0.31 -4.85 117.46 117.90 2aby n PHE 31 Ca 0.04 -3.75 0.14 0.00 -0.05 0.00 0.00 57.45 53.82 2aby n PHE 31 Cb 0.46 -0.85 0.56 0.00 -0.94 0.00 0.00 39.48 38.71 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2aby h PRO 32 N 4.91 0.00 0.00 -1.08 0.13 -1.72 -2.68 132.00 131.57 2aby h PRO 32 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2aby h PRO 32 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2aby h PRO 32 CO 0.96 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.48 2aby n ASP 33 N -2.49 0.00 -1.12 1.44 9.92 -1.26 -4.84 116.55 118.19 2aby n ASP 33 Ca 0.02 0.39 -0.15 0.00 -0.53 0.00 0.00 54.79 54.52 2aby n ASP 33 Cb 0.25 -0.45 -0.06 0.00 -0.64 0.00 0.00 41.12 40.22 2aby n ASP 33 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2aby n LEU 34 N -1.45 -1.07 -1.15 0.64 4.77 -1.01 -4.85 117.00 112.88 2aby n LEU 34 Ca 0.04 0.36 0.06 0.00 -0.03 0.00 0.00 56.01 56.44 2aby n LEU 34 Cb 0.16 -2.16 0.23 0.00 -2.33 0.00 0.00 43.42 39.33 2aby n LEU 34 CO 0.13 -0.77 0.66 -0.90 -1.33 0.00 0.00 177.39 175.19 2aby n ASP 35 N -0.36 3.34 -4.49 -1.43 5.68 -1.26 -4.85 116.55 113.17 2aby n ASP 35 Ca -0.15 -2.33 -0.34 0.00 -0.50 0.00 0.00 54.79 51.48 2aby n ASP 35 Cb 0.48 -0.48 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 2aby n ASP 35 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 2aby s ILE 36 N -1.79 3.88 -0.39 2.12 -1.16 -1.26 -3.24 121.20 119.36 2aby s ILE 36 Ca 0.33 -0.36 0.03 0.00 -0.51 0.00 0.00 60.65 60.14 2aby s ILE 36 Cb 0.22 -2.71 0.11 0.00 0.61 0.00 0.00 42.46 40.69 2aby s ILE 36 CO 0.15 0.48 0.14 -0.54 -2.81 0.00 0.00 174.94 172.36 2aby s LYS 37 N 0.46 1.40 0.24 3.50 -0.14 -0.20 -5.03 119.74 119.96 2aby s LYS 37 Ca -0.03 -1.89 0.11 0.00 -1.36 0.00 0.00 55.97 52.79 2aby s LYS 37 Cb -0.14 -2.84 -0.05 0.00 -1.68 0.00 0.00 37.83 33.12 2aby s LYS 37 CO 0.03 -1.02 -0.20 1.52 -0.76 0.00 0.00 175.35 174.91 2aby s TYR 38 N 0.70 2.19 0.01 3.18 1.13 -1.26 -0.13 117.35 123.18 2aby s TYR 38 Ca 0.13 -0.37 -0.26 0.00 -1.41 0.00 0.00 57.07 55.15 2aby s TYR 38 Cb -0.21 -1.00 0.06 0.00 -1.10 0.00 0.00 41.96 39.71 2aby s TYR 38 CO -0.09 0.59 0.59 -0.80 -2.51 0.00 0.00 175.55 173.33 2aby s ASN 39 N -3.18 -0.55 -0.13 -0.18 0.01 -0.20 -4.99 114.94 105.73 2aby s ASN 39 Ca 0.25 0.42 0.01 0.00 -0.71 0.00 0.00 52.86 52.83 2aby s ASN 39 Cb -0.05 0.51 0.02 0.00 0.41 0.00 0.00 41.25 42.14 2aby s ASN 39 CO 0.12 -0.67 -0.13 0.27 -1.51 0.00 0.00 177.10 175.18 2aby s ILE 40 N -1.87 1.41 0.08 0.60 -4.36 -1.26 -0.97 121.20 114.83 2aby s ILE 40 Ca -0.08 -0.55 0.05 0.00 -0.26 0.00 0.00 60.65 59.81 2aby s ILE 40 Cb -0.01 -1.33 -0.03 0.00 1.25 0.00 0.00 42.46 42.34 2aby s ILE 40 CO 0.03 0.43 -0.14 0.72 0.24 0.00 0.00 174.94 176.22 2aby s PHE 41 N 1.37 1.26 -0.20 1.37 -0.12 -0.61 -1.98 117.98 119.06 2aby s PHE 41 Ca 0.01 -0.49 -0.07 0.00 -0.05 0.00 0.00 56.93 56.33 2aby s PHE 41 Cb -0.13 -0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 41.52 2aby s PHE 41 CO -0.07 0.07 0.07 -1.17 -0.05 0.00 0.00 175.22 174.07 2aby s LEU 42 N -1.91 3.69 -0.10 -1.99 1.98 0.21 -1.75 118.68 118.81 2aby s LEU 42 Ca 0.01 -0.01 -0.01 0.00 -2.89 0.00 0.00 54.13 51.23 2aby s LEU 42 Cb -0.09 -1.95 -0.03 0.00 0.66 0.00 0.00 46.19 44.78 2aby s LEU 42 CO 0.02 0.11 -0.05 0.68 -1.89 0.00 0.00 176.35 175.22 2aby s VAL 43 N 0.77 3.82 -0.21 1.68 -7.23 -0.74 -0.92 120.40 117.57 2aby s VAL 43 Ca 0.03 -0.42 -0.03 0.00 -1.81 0.00 0.00 61.98 59.76 2aby s VAL 43 Cb -0.13 -2.60 0.07 0.00 0.56 0.00 0.00 36.38 34.27 2aby s VAL 43 CO 0.02 0.57 0.05 1.51 -0.31 0.00 0.00 175.10 176.94 2aby s ASP 44 N -0.48 3.03 -0.03 4.85 -4.77 -1.26 -0.63 116.67 117.37 2aby s ASP 44 Ca 0.07 -0.91 -0.06 0.00 -3.30 0.00 0.00 52.55 48.35 2aby s ASP 44 Cb -0.12 -0.60 0.01 0.00 -1.09 0.00 0.00 42.92 41.12 2aby s ASP 44 CO 0.02 -0.32 0.14 -0.22 0.70 0.00 0.00 175.17 175.49 2aby s LEU 45 N 1.86 1.50 -1.11 2.11 0.20 0.88 -4.88 118.68 119.25 2aby s LEU 45 Ca 0.01 0.10 -0.07 0.00 0.69 0.00 0.00 54.13 54.86 2aby s LEU 45 Cb -0.17 0.55 0.01 0.00 -0.43 0.00 0.00 46.19 46.15 2aby s LEU 45 CO -0.11 -0.17 0.96 -1.22 -0.29 0.00 0.00 176.35 175.53 2aby n TYR 46 N 2.44 -2.33 -1.02 5.38 4.02 -1.26 -1.75 117.16 122.64 2aby n TYR 46 Ca -0.16 0.83 -0.01 0.00 -0.01 0.00 0.00 57.90 58.55 2aby n TYR 46 Cb 0.58 -4.35 -0.00 0.00 -0.02 0.00 0.00 39.34 35.55 2aby n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2aby n GLY 47 N -1.69 0.14 3.13 2.72 0.00 -1.26 -4.95 105.19 103.28 2aby n GLY 47 Ca -0.01 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2aby n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aby s GLN 48 N -1.71 2.19 0.04 1.61 -0.21 -0.72 -5.14 119.66 115.73 2aby s GLN 48 Ca 0.00 -0.64 0.08 0.00 0.02 0.00 0.00 55.36 54.82 2aby s GLN 48 Cb 0.00 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.21 2aby s GLN 48 CO 0.00 0.16 -0.23 -1.59 -2.12 0.00 0.00 175.29 171.51 2aby s LYS 49 N 0.34 1.56 0.26 2.91 0.00 -1.26 -0.08 119.74 123.48 2aby s LYS 49 Ca -0.12 -1.00 -0.07 0.00 0.00 0.00 0.00 55.97 54.78 2aby s LYS 49 Cb -0.15 -1.70 -0.01 0.00 0.00 0.00 0.00 37.83 35.97 2aby s LYS 49 CO 0.05 0.44 0.39 0.71 0.00 0.00 0.00 175.35 176.93 2aby s TYR 50 N -0.79 0.77 -0.14 1.78 2.02 0.19 -4.98 117.35 116.19 2aby s TYR 50 Ca 0.09 -1.06 -0.07 0.00 -0.37 0.00 0.00 57.07 55.67 2aby s TYR 50 Cb -0.09 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 2aby s TYR 50 CO 0.02 -0.94 0.09 -0.06 -1.57 0.00 0.00 175.55 173.09 2aby s PHE 51 N -3.79 3.40 -0.06 2.71 0.40 -0.64 -1.78 117.98 118.22 2aby s PHE 51 Ca 0.29 0.32 -0.00 0.00 -0.60 0.00 0.00 56.93 56.93 2aby s PHE 51 Cb 0.01 -1.99 0.03 0.00 0.51 0.00 0.00 43.02 41.58 2aby s PHE 51 CO 0.13 0.46 -0.02 0.50 0.70 0.00 0.00 175.22 176.99 2aby s ARG 52 N -0.39 0.68 -0.08 0.44 3.00 -0.72 -0.22 118.95 121.65 2aby s ARG 52 Ca 0.10 0.01 0.02 0.00 -1.00 0.00 0.00 55.73 54.87 2aby s ARG 52 Cb -0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 34.95 33.94 2aby s ARG 52 CO 0.02 -0.19 -0.15 0.96 0.00 0.00 0.00 175.30 175.93 2aby s ILE 53 N 1.43 2.94 -0.18 4.11 -5.25 -0.32 -1.58 121.20 122.34 2aby s ILE 53 Ca -0.03 -0.74 -0.00 0.00 -0.99 0.00 0.00 60.65 58.88 2aby s ILE 53 Cb -0.13 -2.18 0.01 0.00 2.95 0.00 0.00 42.46 43.11 2aby s ILE 53 CO -0.03 0.56 -0.15 -0.22 -1.79 0.00 0.00 174.94 173.32 2aby s LEU 54 N -0.21 2.40 -0.17 0.37 0.20 -0.14 -1.57 118.68 119.56 2aby s LEU 54 Ca 0.00 -0.54 0.01 0.00 0.69 0.00 0.00 54.13 54.29 2aby s LEU 54 Cb -0.13 -1.57 0.02 0.00 -0.43 0.00 0.00 46.19 44.08 2aby s LEU 54 CO 0.03 0.01 -0.18 0.12 -0.29 0.00 0.00 176.35 176.05 2aby s PHE 55 N 1.23 2.56 0.06 5.38 5.36 -0.33 -1.04 117.98 131.21 2aby s PHE 55 Ca 0.03 -1.49 0.03 0.00 -0.96 0.00 0.00 56.93 54.53 2aby s PHE 55 Cb -0.14 -1.80 -0.03 0.00 -0.34 0.00 0.00 43.02 40.71 2aby s PHE 55 CO -0.07 -0.76 -0.09 1.14 -1.46 0.00 0.00 175.22 173.97 2aby s GLN 56 N 1.36 0.67 0.67 10.12 -2.07 0.82 -0.44 119.66 130.78 2aby s GLN 56 Ca 0.05 -0.92 -0.01 0.00 -1.82 0.00 0.00 55.36 52.67 2aby s GLN 56 Cb -0.13 -0.43 0.13 0.00 -1.09 0.00 0.00 33.01 31.50 2aby s GLN 56 CO -0.12 0.07 0.92 -1.13 -1.32 0.00 0.00 175.29 173.71 2aby n SER 57 N 1.14 1.21 -0.10 12.60 3.41 -1.24 -1.04 113.62 129.59 2aby n SER 57 Ca -0.20 -2.02 -0.16 0.00 -0.26 0.00 0.00 58.87 56.22 2aby n SER 57 Cb 0.56 -0.60 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 2aby n SER 57 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2aby n LYS 58 N -2.70 0.67 0.00 4.33 0.00 -1.20 -4.31 118.16 114.95 2aby n LYS 58 Ca 0.15 0.13 0.13 0.00 0.00 0.00 0.00 58.31 58.72 2aby n LYS 58 Cb 0.54 -1.56 0.34 0.00 0.00 0.00 0.00 35.03 34.34 2aby n LYS 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2aby n LYS 59 N -3.15 1.57 -0.49 1.64 3.00 -1.26 -4.97 118.16 114.50 2aby n LYS 59 Ca -0.39 -1.07 -0.21 0.00 -0.00 0.00 0.00 58.31 56.64 2aby n LYS 59 Cb 1.04 -1.48 -0.05 0.00 0.00 0.00 0.00 35.03 34.55 2aby n LYS 59 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2aby n LEU 60 N 0.22 0.24 -4.68 3.14 -0.00 -1.26 -4.87 117.00 109.79 2aby n LEU 60 Ca 0.15 0.21 -0.30 0.00 -0.00 0.00 0.00 56.01 56.07 2aby n LEU 60 Cb 0.42 -0.34 -0.08 0.00 -0.00 0.00 0.00 43.42 43.42 2aby n LEU 60 CO 0.20 -0.29 -0.34 -0.55 -0.00 0.00 0.00 177.39 176.42 2aby s SER 61 N 2.50 5.01 0.18 1.45 0.15 -1.24 -5.02 113.70 116.73 2aby s SER 61 Ca 0.46 -0.17 -0.04 0.00 0.70 0.00 0.00 55.95 56.91 2aby s SER 61 Cb -0.54 -1.20 0.08 0.00 -1.71 0.00 0.00 66.02 62.65 2aby s SER 61 CO 0.23 0.19 1.49 -0.33 1.20 0.00 0.00 173.24 176.02 2aby h GLU 62 N 3.55 0.61 0.00 5.44 3.07 -1.94 -3.45 114.58 121.86 2aby h GLU 62 Ca -0.48 -0.38 -0.08 0.00 -0.50 0.00 0.00 59.36 57.92 2aby h GLU 62 Cb 1.17 0.04 0.03 0.00 -0.84 0.00 0.00 28.75 29.15 2aby h GLU 62 CO 0.59 0.99 0.05 1.28 -1.40 0.00 0.00 179.01 180.53 2aby n LEU 63 N -3.97 0.00 -2.84 1.33 4.32 -1.26 -4.70 117.00 109.88 2aby n LEU 63 Ca -0.03 -0.25 -0.05 0.00 -0.02 0.00 0.00 56.01 55.65 2aby n LEU 63 Cb 0.61 -0.19 0.02 0.00 -1.62 0.00 0.00 43.42 42.24 2aby n LEU 63 CO 0.47 -0.91 0.17 1.41 -1.22 0.00 0.00 177.39 177.32 2aby n HIS 64 N -2.60 -2.25 0.20 -1.77 8.25 -1.26 -4.93 115.22 110.86 2aby n HIS 64 Ca 0.03 0.83 0.06 0.00 -0.26 0.00 0.00 57.72 58.38 2aby n HIS 64 Cb 0.11 -3.72 0.41 0.00 1.12 0.00 0.00 29.99 27.91 2aby n HIS 64 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2aby h PRO 65 N -0.17 0.00 0.00 -0.41 0.13 -1.96 -2.91 132.00 126.68 2aby h PRO 65 Ca -0.22 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2aby h PRO 65 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2aby h PRO 65 CO 0.29 0.34 -0.01 1.49 -0.23 0.00 0.00 178.00 179.89 2aby h GLU 66 N 0.00 0.00 0.00 0.86 4.57 -2.00 -1.09 114.58 116.92 2aby h GLU 66 Ca -0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 2aby h GLU 66 Cb 0.75 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 2aby h GLU 66 CO 0.04 0.01 -0.87 0.93 -1.18 0.00 0.00 179.01 177.94 2aby h GLU 67 N 0.00 0.04 -0.19 1.92 4.39 -1.89 -3.24 114.58 115.61 2aby h GLU 67 Ca -0.00 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.69 2aby h GLU 67 Cb 0.01 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2aby h GLU 67 CO 0.00 0.88 -0.04 0.00 -1.16 0.00 0.00 179.01 178.70 2aby h ARG 68 N 0.02 0.01 -0.77 2.33 3.08 -1.29 0.22 114.38 117.99 2aby h ARG 68 Ca -0.02 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2aby h ARG 68 Cb 1.53 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.54 2aby h ARG 68 CO 0.12 0.01 0.44 1.57 -1.07 0.00 0.00 179.97 181.04 2aby h LYS 69 N 0.01 1.05 0.20 0.04 2.10 -1.62 0.29 116.57 118.63 2aby h LYS 69 Ca 0.09 -0.10 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2aby h LYS 69 Cb 0.13 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 2aby h LYS 69 CO -0.18 0.75 -0.09 0.87 -2.00 0.00 0.00 179.45 178.79 2aby h LYS 70 N 1.06 -0.25 -0.20 0.07 1.57 -1.40 -1.56 116.57 115.85 2aby h LYS 70 Ca 0.27 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2aby h LYS 70 Cb -0.01 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2aby h LYS 70 CO -0.05 0.09 -0.09 -0.39 -0.57 0.00 0.00 179.45 178.44 2aby h VAL 71 N -0.63 1.18 0.22 0.50 -1.51 -0.44 0.27 116.25 115.84 2aby h VAL 71 Ca -0.03 -0.76 -0.01 0.00 -1.23 0.00 0.00 66.70 64.67 2aby h VAL 71 Cb 0.46 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 2aby h VAL 71 CO 0.04 0.25 -0.11 0.03 -1.23 0.00 0.00 177.57 176.55 2aby h ARG 72 N 0.30 -0.28 -0.15 5.19 2.47 -0.38 -1.31 114.38 120.22 2aby h ARG 72 Ca 0.06 0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 58.66 2aby h ARG 72 Cb 0.35 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2aby h ARG 72 CO 0.02 0.03 -0.50 1.05 0.56 0.00 0.00 179.97 181.12 2aby h GLU 73 N -0.61 0.42 0.26 0.04 4.11 -1.17 -0.18 114.58 117.45 2aby h GLU 73 Ca -0.03 -0.24 -0.01 0.00 0.07 0.00 0.00 59.36 59.15 2aby h GLU 73 Cb 0.44 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2aby h GLU 73 CO 0.05 0.82 -0.12 -0.22 0.07 0.00 0.00 179.01 179.61 2aby h LYS 74 N 0.33 -0.33 -0.14 1.06 1.63 -0.45 0.06 116.57 118.72 2aby h LYS 74 Ca 0.01 0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.69 2aby h LYS 74 Cb 1.00 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 2aby h LYS 74 CO 0.09 -0.16 -0.55 0.27 -3.45 0.00 0.00 179.45 175.65 2aby h PHE 75 N -0.44 0.53 -0.16 1.91 -5.15 -1.26 -1.35 116.94 111.03 2aby h PHE 75 Ca -0.04 -0.19 -0.00 0.00 -0.20 0.00 0.00 57.97 57.54 2aby h PHE 75 Cb 0.33 -0.10 -0.01 0.00 0.22 0.00 0.00 35.95 36.39 2aby h PHE 75 CO -0.03 0.88 0.08 0.22 -2.00 0.00 0.00 178.31 177.46 2aby h ASP 76 N 0.33 0.20 -0.03 -0.68 1.82 -0.90 -1.11 116.42 116.04 2aby h ASP 76 Ca 0.00 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.52 2aby h ASP 76 Cb 1.07 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 41.03 2aby h ASP 76 CO 0.10 0.25 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.61 2aby h GLU 77 N 0.14 0.09 -0.99 0.28 5.08 -0.98 -0.73 114.58 117.47 2aby h GLU 77 Ca 0.05 -0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.54 2aby h GLU 77 Cb 0.10 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.26 2aby h GLU 77 CO -0.01 0.56 0.61 -0.91 -1.00 0.00 0.00 179.01 178.27 2aby h ASN 78 N -0.39 0.77 0.04 1.42 4.21 -1.23 0.42 115.58 120.82 2aby h ASN 78 Ca 0.00 0.08 -0.23 0.00 1.21 0.00 0.00 56.30 57.36 2aby h ASN 78 Cb 0.55 -0.07 0.02 0.00 -1.12 0.00 0.00 38.32 37.70 2aby h ASN 78 CO 0.01 0.32 -0.94 0.28 -1.29 0.00 0.00 177.43 175.80 2aby h SER 79 N 0.77 0.76 0.56 5.81 0.02 -1.17 -3.13 113.55 117.17 2aby h SER 79 Ca 0.54 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2aby h SER 79 Cb 0.83 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2aby h SER 79 CO -0.32 1.45 0.00 -2.11 -1.14 0.00 0.00 176.83 174.71 2aby n ARG 80 N -3.97 0.06 -1.44 3.45 -4.01 -0.28 -4.86 116.66 105.60 2aby n ARG 80 Ca -0.12 0.17 -0.46 0.00 -1.04 0.00 0.00 57.85 56.40 2aby n ARG 80 Cb 0.84 -1.50 -0.02 0.00 -3.04 0.00 0.00 32.46 28.74 2aby n ARG 80 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 2aby n MET 81 N -1.45 0.39 -1.07 2.89 2.81 0.14 -4.85 117.12 115.97 2aby n MET 81 Ca 0.05 0.14 -0.34 0.00 -1.81 0.00 0.00 57.70 55.74 2aby n MET 81 Cb 0.20 -1.25 0.11 0.00 -0.71 0.00 0.00 33.22 31.56 2aby n MET 81 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2aby n GLN 82 N 0.92 0.08 -0.31 0.03 6.02 -1.26 -4.56 117.38 118.31 2aby n GLN 82 Ca 0.15 0.09 0.04 0.00 -0.01 0.00 0.00 57.00 57.27 2aby n GLN 82 Cb 0.29 -2.09 0.19 0.00 1.02 0.00 0.00 30.24 29.65 2aby n GLN 82 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2aby h TYR 83 N -0.92 0.94 -0.26 1.08 3.20 -1.97 0.28 116.97 119.31 2aby h TYR 83 Ca -0.45 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.51 2aby h TYR 83 Cb 1.31 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 2aby h TYR 83 CO 0.41 0.38 -0.15 0.77 -1.64 0.00 0.00 178.16 177.93 2aby h SER 84 N 0.85 -0.48 0.25 -2.11 0.02 -1.99 0.29 113.55 110.38 2aby h SER 84 Ca 0.42 0.11 -0.18 0.00 -0.84 0.00 0.00 61.79 61.31 2aby h SER 84 Cb 0.39 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2aby h SER 84 CO -0.25 -0.18 -0.71 -0.08 -1.14 0.00 0.00 176.83 174.47 2aby h GLU 85 N -0.12 0.40 -0.66 3.45 4.57 -1.73 -0.76 114.58 119.72 2aby h GLU 85 Ca 0.14 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 2aby h GLU 85 Cb 0.33 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 2aby h GLU 85 CO -0.34 0.95 0.35 1.25 -1.18 0.00 0.00 179.01 180.05 2aby h LEU 86 N 0.28 0.84 0.03 1.64 7.12 0.28 0.84 115.31 126.34 2aby h LEU 86 Ca -0.03 -0.11 -0.23 0.00 0.13 0.00 0.00 57.88 57.65 2aby h LEU 86 Cb 1.27 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 41.17 2aby h LEU 86 CO 0.12 0.71 -1.08 0.24 -0.13 0.00 0.00 178.44 178.30 2aby h MET 87 N 0.91 0.07 -0.05 1.25 2.86 -0.45 -3.14 114.93 116.39 2aby h MET 87 Ca 0.23 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2aby h MET 87 Cb 0.06 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2aby h MET 87 CO -0.03 1.05 -0.02 1.15 1.06 0.00 0.00 176.91 180.12 2aby h THR 88 N 0.02 1.31 0.00 2.22 2.02 -0.86 0.31 112.91 117.93 2aby h THR 88 Ca -0.05 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.18 2aby h THR 88 Cb 1.83 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 2aby h THR 88 CO 0.15 0.26 0.00 0.29 0.37 0.00 0.00 175.52 176.59 2aby n LYS 89 N -4.83 0.03 -0.12 6.66 4.01 0.27 0.32 118.16 124.49 2aby n LYS 89 Ca -0.07 0.31 -0.23 0.00 -0.51 0.00 0.00 58.31 57.80 2aby n LYS 89 Cb 0.23 -1.55 -0.11 0.00 -0.51 0.00 0.00 35.03 33.08 2aby n LYS 89 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 2aby n TYR 90 N -1.60 0.18 -0.08 2.13 9.36 -1.04 -4.10 117.16 122.02 2aby n TYR 90 Ca 0.03 0.05 -0.07 0.00 3.32 0.00 0.00 57.90 61.23 2aby n TYR 90 Cb 0.16 -1.02 -0.02 0.00 -0.63 0.00 0.00 39.34 37.82 2aby n TYR 90 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2aby n HIS 91 N -3.71 0.65 0.16 2.98 -0.00 0.11 -2.50 115.22 112.90 2aby n HIS 91 Ca -0.47 0.28 0.18 0.00 0.46 0.00 0.00 57.72 58.17 2aby n HIS 91 Cb 0.94 -0.71 0.78 0.00 -0.12 0.00 0.00 29.99 30.88 2aby n HIS 91 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 2aby h ASP 92 N -1.00 0.00 0.31 0.26 3.58 -0.26 0.15 116.42 119.45 2aby h ASP 92 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2aby h ASP 92 Cb 0.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2aby h ASP 92 CO -0.02 0.00 -1.34 -0.11 -2.88 0.00 0.00 179.24 174.89 2aby n LEU 93 N -3.93 0.49 0.25 2.28 0.00 -0.67 -4.16 117.00 111.26 2aby n LEU 93 Ca 0.04 -0.03 0.13 0.00 0.00 0.00 0.00 56.01 56.15 2aby n LEU 93 Cb 0.40 -0.05 0.78 0.00 0.00 0.00 0.00 43.42 44.56 2aby n LEU 93 CO 0.29 0.02 1.11 0.50 0.00 0.00 0.00 177.39 179.32 2aby h LYS 94 N 0.00 0.00 -0.19 1.96 3.11 -0.39 0.29 116.57 121.35 2aby h LYS 94 Ca 0.00 0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 57.63 2aby h LYS 94 Cb 0.83 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.06 2aby h LYS 94 CO 0.00 0.00 -0.70 -0.22 -2.81 0.00 0.00 179.45 175.72 2aby h LYS 95 N 0.00 0.78 0.00 1.90 1.63 -1.71 -3.23 116.57 115.93 2aby h LYS 95 Ca 0.03 -0.59 -0.21 0.00 -0.85 0.00 0.00 60.65 59.03 2aby h LYS 95 Cb 0.14 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 2aby h LYS 95 CO -0.00 1.20 -1.06 1.96 -3.45 0.00 0.00 179.45 178.10 2aby h GLN 96 N 0.55 0.00 0.00 1.90 1.08 -1.50 -3.47 115.11 113.67 2aby h GLN 96 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2aby h GLN 96 Cb 1.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 2aby h GLN 96 CO 0.15 0.91 0.00 0.41 -0.95 0.00 0.00 178.83 179.34 2aby n GLY 97 N 1.37 6.05 3.26 3.46 0.00 0.92 -5.14 105.19 115.11 2aby n GLY 97 Ca -0.02 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 2aby n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aby s LYS 98 N 1.66 0.90 -0.05 1.61 0.00 -1.26 -4.73 119.74 117.88 2aby s LYS 98 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 55.97 55.22 2aby s LYS 98 Cb 0.00 0.39 0.01 0.00 0.00 0.00 0.00 37.83 38.23 2aby s LYS 98 CO 0.00 -0.31 0.18 -1.50 0.00 0.00 0.00 175.35 173.72 2aby s ILE 99 N -3.27 0.03 0.02 3.79 2.07 -1.26 -4.45 121.20 118.12 2aby s ILE 99 Ca 0.00 -0.21 0.06 0.00 -1.41 0.00 0.00 60.65 59.09 2aby s ILE 99 Cb 0.02 -0.33 -0.02 0.00 0.13 0.00 0.00 42.46 42.25 2aby s ILE 99 CO -0.08 -0.12 -0.19 -0.54 -1.91 0.00 0.00 174.94 172.10 2aby s LYS 100 N -0.37 1.40 -0.75 3.50 -0.14 -1.26 -5.05 119.74 117.07 2aby s LYS 100 Ca -0.05 -0.81 -0.08 0.00 -1.36 0.00 0.00 55.97 53.68 2aby s LYS 100 Cb -0.03 -1.44 0.19 0.00 -1.68 0.00 0.00 37.83 34.88 2aby s LYS 100 CO 0.01 0.38 0.62 0.34 -0.76 0.00 0.00 175.35 175.94 2aby s ASP 101 N -0.86 6.00 0.71 2.83 2.15 -1.26 -4.80 116.67 121.44 2aby s ASP 101 Ca 0.07 -2.86 -0.11 0.00 0.43 0.00 0.00 52.55 50.08 2aby s ASP 101 Cb -0.08 -2.02 0.02 0.00 -0.30 0.00 0.00 42.92 40.53 2aby s ASP 101 CO 0.01 -0.44 1.07 -0.13 -0.17 0.00 0.00 175.17 175.50 2aby s ARG 102 N -0.09 2.81 0.40 4.34 0.52 -1.26 -5.01 118.95 120.67 2aby s ARG 102 Ca 0.18 0.99 -0.25 0.00 -0.52 0.00 0.00 55.73 56.14 2aby s ARG 102 Cb -0.15 -1.97 -0.08 0.00 0.52 0.00 0.00 34.95 33.27 2aby s ARG 102 CO -0.06 -1.20 1.19 -1.25 0.02 0.00 0.00 175.30 173.99 2aby s PRO 103 N -5.02 4.02 0.14 3.54 0.04 -1.26 -5.01 135.00 131.46 2aby s PRO 103 Ca 0.59 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 2aby s PRO 103 Cb -0.15 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 2aby s PRO 103 CO 0.55 -0.36 0.94 0.54 0.04 0.00 0.00 177.00 178.71 2aby s VAL 104 N -1.40 4.41 0.13 -0.36 0.11 -1.26 -4.82 120.40 117.20 2aby s VAL 104 Ca 0.57 2.04 -0.16 0.00 -2.93 0.00 0.00 61.98 61.51 2aby s VAL 104 Cb -0.32 -4.31 -0.07 0.00 -1.53 0.00 0.00 36.38 30.16 2aby s VAL 104 CO 0.40 0.37 0.56 -0.54 -3.33 0.00 0.00 175.10 172.55 2aby s LYS 105 N -0.32 4.04 0.15 1.54 -0.14 -0.84 -4.80 119.74 119.38 2aby s LYS 105 Ca 0.45 0.56 -0.29 0.00 -1.36 0.00 0.00 55.97 55.33 2aby s LYS 105 Cb -0.24 -3.01 -0.07 0.00 -1.68 0.00 0.00 37.83 32.83 2aby s LYS 105 CO 0.30 0.52 0.92 -1.21 -0.76 0.00 0.00 175.35 175.12 2aby s GLU 106 N -1.73 4.72 -0.06 1.68 0.41 -1.26 0.67 118.70 123.11 2aby s GLU 106 Ca 0.36 1.40 0.01 0.00 -0.41 0.00 0.00 54.97 56.32 2aby s GLU 106 Cb -0.16 -3.34 -0.03 0.00 -1.78 0.00 0.00 34.13 28.82 2aby s GLU 106 CO 0.19 0.35 -0.07 0.08 -0.49 0.00 0.00 175.26 175.32 2aby s VAL 107 N -0.47 3.73 0.49 2.63 1.01 -0.10 -4.88 120.40 122.81 2aby s VAL 107 Ca 0.43 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2aby s VAL 107 Cb -0.24 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 2aby s VAL 107 CO 0.29 0.58 0.05 -2.28 0.00 0.00 0.00 175.10 173.75 2aby s HIS 108 N -0.83 1.79 -0.22 5.22 2.46 -1.26 -4.09 115.29 118.35 2aby s HIS 108 Ca 0.13 -1.10 -0.29 0.00 0.47 0.00 0.00 55.06 54.26 2aby s HIS 108 Cb -0.11 -1.44 -0.00 0.00 -0.13 0.00 0.00 32.58 30.89 2aby s HIS 108 CO 0.02 0.02 1.19 -1.21 -2.47 0.00 0.00 174.74 172.29 2aby s GLU 109 N -3.82 4.17 0.00 2.88 2.02 -1.26 -4.91 118.70 117.78 2aby s GLU 109 Ca 0.09 1.44 0.00 0.00 0.02 0.00 0.00 54.97 56.52 2aby s GLU 109 Cb 0.01 -3.75 0.00 0.00 0.10 0.00 0.00 34.13 30.49 2aby s GLU 109 CO 0.06 -0.78 0.00 0.39 0.02 0.00 0.00 175.26 174.95 2aby n GLU 110 N 6.68 -1.37 -3.85 1.61 1.02 -1.26 -5.08 120.64 118.39 2aby n GLU 110 Ca 0.13 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.95 2aby n GLU 110 Cb 0.46 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.76 2aby n GLU 110 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2aby s TYR 111 N -3.00 3.32 0.00 -0.32 2.02 -1.26 -4.89 117.35 113.22 2aby s TYR 111 Ca 0.00 -3.04 0.00 0.00 -0.37 0.00 0.00 57.07 53.66 2aby s TYR 111 Cb 0.00 -2.95 0.00 0.00 -0.40 0.00 0.00 41.96 38.61 2aby s TYR 111 CO 0.00 -0.75 0.00 -3.47 -1.57 0.00 0.00 175.55 169.76 2aby n ASP 112 N 3.07 0.00 -3.18 2.29 -0.08 -1.26 -5.10 116.55 112.29 2aby n ASP 112 Ca 0.08 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.20 2aby n ASP 112 Cb 0.34 0.00 0.16 0.00 2.34 0.00 0.00 41.12 43.96 2aby n ASP 112 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2aby n LEU 113 N -1.69 0.00 -0.16 -2.67 -0.00 -1.26 -4.89 117.00 106.33 2aby n LEU 113 Ca 0.00 -0.48 -0.07 0.00 -0.00 0.00 0.00 56.01 55.46 2aby n LEU 113 Cb 0.00 -0.58 0.02 0.00 -0.00 0.00 0.00 43.42 42.86 2aby n LEU 113 CO 0.00 -2.25 1.06 -0.50 -0.00 0.00 0.00 177.39 175.70 2aby h TRP 114 N -2.86 0.63 -6.34 1.47 -0.00 -2.00 -3.47 115.95 103.39 2aby h TRP 114 Ca -0.21 0.01 -0.38 0.00 -0.00 0.00 0.00 58.89 58.30 2aby h TRP 114 Cb 0.72 -0.21 0.02 0.00 -0.00 0.00 0.00 29.16 29.69 2aby h TRP 114 CO 0.00 0.42 -1.15 0.39 -0.00 0.00 0.00 178.44 178.10 2aby n GLU 115 N -4.72 -1.78 0.00 0.49 1.02 -1.26 -4.73 120.64 109.65 2aby n GLU 115 Ca 0.02 1.27 0.00 0.00 -0.02 0.00 0.00 57.16 58.44 2aby n GLU 115 Cb 0.04 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 2aby n GLU 115 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2aby n ASP 116 N -0.33 0.00 0.08 1.62 2.03 -1.26 -4.92 116.55 113.78 2aby n ASP 116 Ca -0.11 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.08 2aby n ASP 116 Cb 0.65 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.97 2aby n ASP 116 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aby h PRO 117 N 0.00 -0.25 0.00 -0.67 0.13 -1.90 -3.25 132.00 126.06 2aby h PRO 117 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2aby h PRO 117 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2aby h PRO 117 CO 0.00 0.14 0.00 -0.84 -0.23 0.00 0.00 178.00 177.07 2aby h ILE 118 N -0.74 0.00 -0.03 -3.56 -2.65 -1.73 -2.77 117.51 106.03 2aby h ILE 118 Ca -0.03 -0.64 0.01 0.00 1.03 0.00 0.00 64.86 65.23 2aby h ILE 118 Cb 0.51 1.63 -0.00 0.00 -2.05 0.00 0.00 36.82 36.91 2aby h ILE 118 CO 0.04 0.00 0.03 -0.25 0.03 0.00 0.00 178.15 178.00 2aby h TRP 119 N 0.00 0.00 0.00 0.16 7.01 -1.84 -3.39 115.95 117.89 2aby h TRP 119 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2aby h TRP 119 Cb 0.81 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.87 2aby h TRP 119 CO 0.00 0.00 0.00 0.00 -2.79 0.00 0.00 178.44 175.65 2aby n GLN 120 N -3.93 0.00 -2.92 2.65 10.64 -1.22 -5.00 117.38 117.61 2aby n GLN 120 Ca -0.02 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.74 2aby n GLN 120 Cb 0.12 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.45 2aby n GLN 120 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.06 174.76 2aby s TYR 121 N -0.50 3.73 0.00 2.61 5.04 -1.05 -5.13 117.35 122.05 2aby s TYR 121 Ca 0.00 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.17 2aby s TYR 121 Cb 0.00 -2.89 0.00 0.00 0.35 0.00 0.00 41.96 39.42 2aby s TYR 121 CO 0.00 0.22 0.00 -0.89 -1.34 0.00 0.00 175.55 173.54