#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 2.44 -3.70 0.03 10.64 -1.26 -4.69 117.38 120.84 2aby n GLN 2 Ca 0.00 -2.42 -0.13 0.00 -1.83 0.00 0.00 57.00 52.63 2aby n GLN 2 Cb 0.00 -3.21 -0.09 0.00 -0.86 0.00 0.00 30.24 26.08 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 3.89 0.56 0.00 2.61 -2.85 -1.26 -4.90 119.74 117.79 2aby s LYS 3 Ca 0.51 0.73 0.00 0.00 -1.00 0.00 0.00 55.97 56.21 2aby s LYS 3 Cb 0.13 0.23 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 2aby s LYS 3 CO -0.01 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.76 2aby n GLY 4 N 3.09 0.66 3.19 0.59 0.00 -1.26 -4.98 105.19 106.50 2aby n GLY 4 Ca -0.15 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 2.51 -0.22 0.99 2.01 -1.26 -1.55 118.68 121.16 2aby s LEU 5 Ca 0.00 -0.99 -0.10 0.00 0.01 0.00 0.00 54.13 53.05 2aby s LEU 5 Cb 0.00 -0.18 -0.05 0.00 0.01 0.00 0.00 46.19 45.97 2aby s LEU 5 CO 0.00 -0.40 0.13 -1.61 1.01 0.00 0.00 176.35 175.48 2aby s GLU 6 N -3.70 4.06 -0.01 1.70 2.02 -1.26 -3.42 118.70 118.09 2aby s GLU 6 Ca 0.13 -0.28 -0.04 0.00 0.02 0.00 0.00 54.97 54.80 2aby s GLU 6 Cb 0.04 -3.45 -0.00 0.00 0.10 0.00 0.00 34.13 30.82 2aby s GLU 6 CO -0.03 0.14 0.07 0.96 0.02 0.00 0.00 175.26 176.43 2aby s ILE 7 N 0.81 0.06 0.06 -1.63 -0.00 0.11 -4.99 121.20 115.61 2aby s ILE 7 Ca 0.07 -0.51 0.09 0.00 -0.00 0.00 0.00 60.65 60.30 2aby s ILE 7 Cb -0.13 -0.28 -0.03 0.00 -0.00 0.00 0.00 42.46 42.02 2aby s ILE 7 CO 0.02 -0.28 -0.26 0.00 -0.00 0.00 0.00 174.94 174.42 2aby s ALA 8 N -0.91 2.22 -0.01 2.27 0.00 -1.26 -1.25 121.76 122.82 2aby s ALA 8 Ca -0.10 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.59 2aby s ALA 8 Cb -0.06 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2aby s ALA 8 CO 0.00 0.52 -0.01 0.12 0.00 0.00 0.00 175.76 176.39 2aby s PHE 9 N -0.84 0.21 0.29 0.00 5.36 -0.65 -4.74 117.98 117.61 2aby s PHE 9 Ca 0.12 -0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.10 2aby s PHE 9 Cb -0.10 -0.19 -0.03 0.00 -0.34 0.00 0.00 43.02 42.36 2aby s PHE 9 CO 0.02 -0.03 0.44 1.14 -1.46 0.00 0.00 175.22 175.33 2aby s GLN 10 N 0.24 3.42 -0.07 10.12 1.03 -1.24 -0.12 119.66 133.04 2aby s GLN 10 Ca -0.02 -0.62 -0.29 0.00 0.04 0.00 0.00 55.36 54.46 2aby s GLN 10 Cb -0.04 -2.80 0.07 0.00 0.03 0.00 0.00 33.01 30.27 2aby s GLN 10 CO -0.01 0.29 0.66 -0.08 -2.54 0.00 0.00 175.29 173.61 2aby s THR 11 N -2.13 0.00 0.09 3.63 -1.32 0.12 -4.91 115.64 111.12 2aby s THR 11 Ca 0.37 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 2aby s THR 11 Cb -0.09 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 2aby s THR 11 CO 0.32 -0.02 0.00 -0.38 -2.21 0.00 0.00 174.62 172.33 2aby n ILE 12 N 1.15 0.17 -3.64 5.08 -0.00 -1.26 -0.41 119.36 120.45 2aby n ILE 12 Ca -0.19 0.06 -0.03 0.00 -0.00 0.00 0.00 62.75 62.59 2aby n ILE 12 Cb 0.57 -0.88 -0.01 0.00 -0.00 0.00 0.00 39.64 39.31 2aby n ILE 12 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 2aby s ASN 13 N -5.14 -0.16 0.43 4.38 2.47 -1.26 -4.84 114.94 110.82 2aby s ASN 13 Ca 0.00 -0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.10 2aby s ASN 13 Cb 0.00 0.30 0.00 0.00 -1.45 0.00 0.00 41.25 40.10 2aby s ASN 13 CO 0.00 -0.54 0.00 0.61 -3.72 0.00 0.00 177.10 173.45 2aby n GLY 14 N -0.38 0.62 0.33 1.21 0.00 -1.26 -3.27 105.19 102.44 2aby n GLY 14 Ca -0.06 -0.80 0.18 0.00 0.00 0.00 0.00 46.02 45.34 2aby n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aby h LEU 15 N 0.00 0.00 0.10 0.99 4.07 -2.00 -2.98 115.31 115.49 2aby h LEU 15 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 2aby h LEU 15 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2aby h LEU 15 CO 0.00 0.00 -0.12 0.44 -1.08 0.00 0.00 178.44 177.68 2aby h ASP 16 N 0.00 -0.33 -0.48 -0.43 3.32 -1.94 0.26 116.42 116.81 2aby h ASP 16 Ca 0.03 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.20 2aby h ASP 16 Cb 0.26 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.84 2aby h ASP 16 CO -0.00 -0.15 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.29 2aby h GLU 17 N -0.22 0.11 -0.66 3.56 4.22 -1.75 -0.49 114.58 119.35 2aby h GLU 17 Ca -0.01 -0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.52 2aby h GLU 17 Cb 0.20 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2aby h GLU 17 CO -0.03 0.07 0.28 0.77 -2.18 0.00 0.00 179.01 177.92 2aby h SER 18 N 0.11 0.31 -0.08 1.04 0.02 -1.47 -0.09 113.55 113.39 2aby h SER 18 Ca 0.24 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 2aby h SER 18 Cb 0.36 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2aby h SER 18 CO -0.40 0.17 -0.14 0.25 -1.14 0.00 0.00 176.83 175.56 2aby h LEU 19 N 0.47 0.40 0.42 5.07 7.12 0.74 0.69 115.31 130.23 2aby h LEU 19 Ca 0.33 -0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.22 2aby h LEU 19 Cb 0.41 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 2aby h LEU 19 CO -0.31 0.58 -0.20 0.58 -0.13 0.00 0.00 178.44 178.96 2aby h VAL 20 N 0.39 0.53 0.00 1.05 2.07 0.47 0.22 116.25 120.98 2aby h VAL 20 Ca 0.07 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2aby h VAL 20 Cb 0.49 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2aby h VAL 20 CO 0.03 0.07 -0.32 1.56 0.02 0.00 0.00 177.57 178.93 2aby h GLN 21 N -0.83 0.00 0.07 1.57 4.20 -1.19 -1.52 115.11 117.41 2aby h GLN 21 Ca -0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 2aby h GLN 21 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2aby h GLN 21 CO 0.10 0.32 -0.03 0.00 -0.67 0.00 0.00 178.83 178.54 2aby h ALA 22 N 1.68 -0.09 -0.39 3.87 0.00 -0.77 -2.63 119.26 120.93 2aby h ALA 22 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2aby h ALA 22 Cb 0.63 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2aby h ALA 22 CO 0.04 -0.21 0.10 1.37 0.00 0.00 0.00 179.25 180.56 2aby h LEU 23 N -0.77 0.52 -0.29 0.00 8.10 -0.52 -0.78 115.31 121.57 2aby h LEU 23 Ca -0.01 -0.07 -0.03 0.00 0.11 0.00 0.00 57.88 57.88 2aby h LEU 23 Cb 0.61 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.68 2aby h LEU 23 CO 0.02 0.52 0.06 0.00 -4.11 0.00 0.00 178.44 174.92 2aby h ALA 24 N 1.56 0.38 -0.25 0.17 0.00 -1.33 -1.48 119.26 118.30 2aby h ALA 24 Ca 0.13 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2aby h ALA 24 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2aby h ALA 24 CO -0.01 0.05 -0.46 0.78 0.00 0.00 0.00 179.25 179.62 2aby h GLY 25 N 0.30 0.72 0.80 0.00 0.00 -1.16 -0.84 103.07 102.88 2aby h GLY 25 Ca 0.09 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 2aby h GLY 25 CO 0.00 0.69 -0.03 -2.08 0.00 0.00 0.00 176.54 175.12 2aby h VAL 26 N 0.53 1.07 -0.45 4.60 2.07 -1.07 0.32 116.25 123.32 2aby h VAL 26 Ca 0.03 -0.46 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 2aby h VAL 26 Cb 1.01 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2aby h VAL 26 CO 0.09 0.11 -0.19 0.74 0.02 0.00 0.00 177.57 178.35 2aby h THR 27 N -0.29 1.27 -0.00 2.57 2.02 -1.31 -1.12 112.91 116.04 2aby h THR 27 Ca -0.01 -1.33 -0.12 0.00 0.77 0.00 0.00 66.41 65.72 2aby h THR 27 Cb 0.26 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2aby h THR 27 CO 0.02 0.45 -0.57 0.00 0.37 0.00 0.00 175.52 175.79 2aby h ALA 28 N 1.00 1.06 -0.01 6.16 0.00 -1.09 0.48 119.26 126.87 2aby h ALA 28 Ca 0.11 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2aby h ALA 28 Cb 0.73 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2aby h ALA 28 CO 0.06 0.71 -0.34 0.66 0.00 0.00 0.00 179.25 180.34 2aby h SER 29 N 0.01 0.31 1.26 0.00 4.64 -0.13 -3.26 113.55 116.37 2aby h SER 29 Ca -0.01 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.55 2aby h SER 29 Cb 1.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2aby h SER 29 CO 0.07 1.03 -0.23 -0.67 -0.87 0.00 0.00 176.83 176.16 2aby n ASP 30 N -4.43 0.79 -3.15 4.97 2.03 -0.44 -4.94 116.55 111.38 2aby n ASP 30 Ca -0.10 0.41 -0.03 0.00 0.52 0.00 0.00 54.79 55.60 2aby n ASP 30 Cb 0.54 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2aby n ASP 30 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2aby n PHE 31 N -2.23 -0.13 0.24 -0.67 1.16 0.17 -4.72 117.46 111.29 2aby n PHE 31 Ca 0.05 0.03 0.12 0.00 -1.87 0.00 0.00 57.45 55.78 2aby n PHE 31 Cb 0.44 -0.20 0.55 0.00 -1.61 0.00 0.00 39.48 38.66 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 2aby h PRO 32 N 1.76 0.00 0.00 3.97 0.13 -1.93 -2.87 132.00 133.06 2aby h PRO 32 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2aby h PRO 32 Cb 0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 2aby h PRO 32 CO 0.03 0.17 -1.54 -3.47 -0.23 0.00 0.00 178.00 172.97 2aby n ASP 33 N -3.40 0.38 -0.76 1.44 2.03 -1.26 -4.96 116.55 110.02 2aby n ASP 33 Ca -0.00 0.06 -0.10 0.00 0.52 0.00 0.00 54.79 55.27 2aby n ASP 33 Cb 0.37 1.33 -0.04 0.00 -0.72 0.00 0.00 41.12 42.05 2aby n ASP 33 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2aby n LEU 34 N -2.35 -0.35 -2.70 -2.67 4.77 -1.09 -4.76 117.00 107.85 2aby n LEU 34 Ca -0.02 0.25 -0.07 0.00 -0.03 0.00 0.00 56.01 56.14 2aby n LEU 34 Cb 0.54 -2.37 0.11 0.00 -2.33 0.00 0.00 43.42 39.37 2aby n LEU 34 CO 0.43 -0.89 0.50 0.47 -1.33 0.00 0.00 177.39 176.57 2aby n ASP 35 N -0.86 -1.90 -4.66 -1.43 8.00 -1.26 -5.12 116.55 109.31 2aby n ASP 35 Ca -0.10 -2.57 -0.43 0.00 0.71 0.00 0.00 54.79 52.41 2aby n ASP 35 Cb 0.51 1.15 -0.02 0.00 -0.02 0.00 0.00 41.12 42.74 2aby n ASP 35 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2aby s ILE 36 N 0.19 3.99 -0.66 0.53 2.07 -1.26 -3.99 121.20 122.07 2aby s ILE 36 Ca 0.21 1.23 0.05 0.00 -1.41 0.00 0.00 60.65 60.72 2aby s ILE 36 Cb 0.36 -3.79 0.16 0.00 0.13 0.00 0.00 42.46 39.32 2aby s ILE 36 CO -0.08 -0.09 0.45 -0.54 -1.91 0.00 0.00 174.94 172.77 2aby s LYS 37 N 3.47 2.31 0.47 3.50 3.01 -0.07 -5.03 119.74 127.40 2aby s LYS 37 Ca 0.62 -3.17 0.03 0.00 -1.01 0.00 0.00 55.97 52.43 2aby s LYS 37 Cb -0.27 -3.31 -0.03 0.00 -1.01 0.00 0.00 37.83 33.21 2aby s LYS 37 CO 0.21 -1.26 0.03 1.52 0.51 0.00 0.00 175.35 176.35 2aby s TYR 38 N -1.20 1.99 -0.09 3.18 1.13 -1.26 0.03 117.35 121.12 2aby s TYR 38 Ca 0.24 -0.95 -0.31 0.00 -1.41 0.00 0.00 57.07 54.64 2aby s TYR 38 Cb -0.08 -1.56 0.12 0.00 -1.10 0.00 0.00 41.96 39.34 2aby s TYR 38 CO -0.14 0.18 1.02 -0.80 -2.51 0.00 0.00 175.55 173.30 2aby s ASN 39 N -3.78 -0.29 -0.13 -0.18 0.01 0.32 -4.96 114.94 105.93 2aby s ASN 39 Ca 0.16 0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.39 2aby s ASN 39 Cb 0.04 0.29 0.02 0.00 0.41 0.00 0.00 41.25 42.00 2aby s ASN 39 CO 0.08 -0.44 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.45 2aby s ILE 40 N -2.50 1.60 0.06 0.60 -1.09 -1.26 -1.05 121.20 117.55 2aby s ILE 40 Ca 0.05 -0.68 0.05 0.00 -2.23 0.00 0.00 60.65 57.84 2aby s ILE 40 Cb -0.01 -1.47 -0.03 0.00 -1.58 0.00 0.00 42.46 39.37 2aby s ILE 40 CO -0.06 0.46 -0.15 0.72 -1.23 0.00 0.00 174.94 174.69 2aby s PHE 41 N 1.17 1.28 -0.27 3.97 -0.12 -0.70 -1.86 117.98 121.45 2aby s PHE 41 Ca -0.02 -0.41 -0.09 0.00 -0.05 0.00 0.00 56.93 56.36 2aby s PHE 41 Cb -0.14 -0.73 -0.03 0.00 -0.63 0.00 0.00 43.02 41.48 2aby s PHE 41 CO -0.05 0.06 0.13 -1.17 -0.05 0.00 0.00 175.22 174.14 2aby s LEU 42 N -1.49 3.80 -0.13 -1.99 1.98 0.18 -1.49 118.68 119.54 2aby s LEU 42 Ca 0.00 -0.20 -0.07 0.00 -2.89 0.00 0.00 54.13 50.97 2aby s LEU 42 Cb -0.09 -2.01 -0.04 0.00 0.66 0.00 0.00 46.19 44.70 2aby s LEU 42 CO 0.02 -0.08 0.10 0.68 -1.89 0.00 0.00 176.35 175.18 2aby s VAL 43 N 1.67 5.17 -0.25 1.68 -7.23 0.37 -1.40 120.40 120.41 2aby s VAL 43 Ca 0.06 0.09 -0.02 0.00 -1.81 0.00 0.00 61.98 60.30 2aby s VAL 43 Cb -0.16 -3.27 0.08 0.00 0.56 0.00 0.00 36.38 33.60 2aby s VAL 43 CO 0.07 0.57 0.08 -0.62 -0.31 0.00 0.00 175.10 174.88 2aby s ASP 44 N -0.60 3.39 0.07 4.85 2.15 -1.26 -0.88 116.67 124.40 2aby s ASP 44 Ca 0.12 -1.18 -0.09 0.00 0.43 0.00 0.00 52.55 51.82 2aby s ASP 44 Cb -0.12 -0.63 0.00 0.00 -0.30 0.00 0.00 42.92 41.88 2aby s ASP 44 CO 0.02 -0.37 0.20 -0.22 -0.17 0.00 0.00 175.17 174.64 2aby s LEU 45 N 1.83 1.34 -1.51 -1.34 1.98 -0.70 -4.89 118.68 115.40 2aby s LEU 45 Ca 0.05 -0.50 -0.02 0.00 -2.89 0.00 0.00 54.13 50.77 2aby s LEU 45 Cb -0.17 1.05 0.00 0.00 0.66 0.00 0.00 46.19 47.73 2aby s LEU 45 CO -0.19 -0.66 0.24 -1.22 -1.89 0.00 0.00 176.35 172.62 2aby n TYR 46 N 0.26 -1.26 -1.14 5.38 4.01 -1.26 -1.44 117.16 121.71 2aby n TYR 46 Ca -0.17 0.20 -0.05 0.00 -0.16 0.00 0.00 57.90 57.73 2aby n TYR 46 Cb 0.61 -3.86 -0.02 0.00 -0.31 0.00 0.00 39.34 35.75 2aby n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aby n GLY 47 N -1.20 0.57 3.24 2.72 0.00 -1.26 -4.97 105.19 104.29 2aby n GLY 47 Ca -0.17 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.07 1.92 -0.16 1.61 -1.52 -0.52 -5.13 119.66 113.78 2aby s GLN 48 Ca 0.00 -0.80 -0.06 0.00 -1.95 0.00 0.00 55.36 52.55 2aby s GLN 48 Cb 0.00 -1.79 -0.04 0.00 -0.22 0.00 0.00 33.01 30.96 2aby s GLN 48 CO 0.00 0.44 0.05 0.15 -0.25 0.00 0.00 175.29 175.69 2aby s LYS 49 N -0.42 3.76 -0.09 2.91 3.01 -1.26 -1.71 119.74 125.94 2aby s LYS 49 Ca 0.06 -0.34 -0.14 0.00 -1.01 0.00 0.00 55.97 54.53 2aby s LYS 49 Cb -0.10 -3.13 0.03 0.00 -1.01 0.00 0.00 37.83 33.63 2aby s LYS 49 CO 0.00 0.39 0.35 0.71 0.51 0.00 0.00 175.35 177.31 2aby s TYR 50 N 0.04 -0.33 -0.10 3.18 2.02 -0.05 -5.02 117.35 117.09 2aby s TYR 50 Ca 0.05 0.73 -0.04 0.00 -0.37 0.00 0.00 57.07 57.44 2aby s TYR 50 Cb -0.12 0.13 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 2aby s TYR 50 CO 0.01 -0.27 0.06 -0.06 -1.57 0.00 0.00 175.55 173.72 2aby s PHE 51 N -0.37 3.35 0.01 2.71 0.40 0.46 -0.48 117.98 124.06 2aby s PHE 51 Ca -0.05 0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.64 2aby s PHE 51 Cb -0.03 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 2aby s PHE 51 CO 0.02 0.58 -0.08 1.03 0.70 0.00 0.00 175.22 177.47 2aby s ARG 52 N -0.93 0.57 -0.05 0.44 0.52 -0.56 0.14 118.95 119.09 2aby s ARG 52 Ca 0.14 -0.44 0.06 0.00 -0.52 0.00 0.00 55.73 54.97 2aby s ARG 52 Cb -0.12 -0.50 -0.01 0.00 0.52 0.00 0.00 34.95 34.84 2aby s ARG 52 CO 0.03 0.13 -0.25 0.96 0.02 0.00 0.00 175.30 176.18 2aby s ILE 53 N -0.57 2.06 -0.21 1.52 -5.25 0.82 -1.72 121.20 117.86 2aby s ILE 53 Ca -0.01 -1.07 -0.00 0.00 -0.99 0.00 0.00 60.65 58.57 2aby s ILE 53 Cb -0.05 -1.73 0.02 0.00 2.95 0.00 0.00 42.46 43.64 2aby s ILE 53 CO 0.00 0.57 -0.13 -0.22 -1.79 0.00 0.00 174.94 173.37 2aby s LEU 54 N -0.24 2.61 -0.16 0.37 0.20 -0.22 -1.63 118.68 119.61 2aby s LEU 54 Ca -0.01 -0.70 0.01 0.00 0.69 0.00 0.00 54.13 54.12 2aby s LEU 54 Cb -0.13 -1.58 0.01 0.00 -0.43 0.00 0.00 46.19 44.06 2aby s LEU 54 CO 0.03 -0.05 -0.19 0.12 -0.29 0.00 0.00 176.35 175.97 2aby s PHE 55 N 1.32 2.74 0.06 5.38 5.36 -0.38 -0.52 117.98 131.94 2aby s PHE 55 Ca 0.03 -1.33 0.03 0.00 -0.96 0.00 0.00 56.93 54.70 2aby s PHE 55 Cb -0.15 -1.87 -0.03 0.00 -0.34 0.00 0.00 43.02 40.64 2aby s PHE 55 CO -0.09 -0.63 -0.09 1.14 -1.46 0.00 0.00 175.22 174.10 2aby s GLN 56 N 0.96 0.63 0.45 10.12 -2.07 0.10 0.04 119.66 129.89 2aby s GLN 56 Ca -0.03 -0.88 0.06 0.00 -1.82 0.00 0.00 55.36 52.69 2aby s GLN 56 Cb -0.15 -0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 31.35 2aby s GLN 56 CO -0.04 0.06 0.17 -1.12 -1.32 0.00 0.00 175.29 173.04 2aby s SER 57 N -1.83 4.34 0.02 12.60 0.01 -1.22 -0.89 113.70 126.72 2aby s SER 57 Ca -0.05 -1.22 0.22 0.00 1.31 0.00 0.00 55.95 56.21 2aby s SER 57 Cb -0.08 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 2aby s SER 57 CO 0.00 -0.66 1.00 1.17 0.41 0.00 0.00 173.24 175.17 2aby n LYS 58 N -1.28 0.16 0.00 12.44 3.00 -1.26 -3.97 118.16 127.24 2aby n LYS 58 Ca -0.04 -0.02 0.12 0.00 -0.00 0.00 0.00 58.31 58.37 2aby n LYS 58 Cb 0.65 -1.53 0.26 0.00 0.00 0.00 0.00 35.03 34.40 2aby n LYS 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2aby n LYS 59 N -1.73 1.15 -1.69 1.64 4.76 -1.26 -4.95 118.16 116.08 2aby n LYS 59 Ca 0.03 -0.80 -0.56 0.00 -2.87 0.00 0.00 58.31 54.11 2aby n LYS 59 Cb 0.39 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 32.03 2aby n LYS 59 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2aby n LEU 60 N -0.23 2.26 -4.67 -0.35 -0.00 -0.59 -4.86 117.00 108.56 2aby n LEU 60 Ca 0.12 1.08 -0.31 0.00 -0.00 0.00 0.00 56.01 56.91 2aby n LEU 60 Cb 0.40 -1.16 -0.08 0.00 -0.00 0.00 0.00 43.42 42.58 2aby n LEU 60 CO 0.25 -0.55 -0.34 -0.94 -0.00 0.00 0.00 177.39 175.81 2aby s SER 61 N 2.93 4.95 0.11 1.45 1.04 -1.26 -5.03 113.70 117.88 2aby s SER 61 Ca 0.95 -0.16 -0.13 0.00 0.48 0.00 0.00 55.95 57.09 2aby s SER 61 Cb -1.04 -1.18 -0.13 0.00 0.10 0.00 0.00 66.02 63.77 2aby s SER 61 CO 0.62 0.20 1.34 -0.33 0.98 0.00 0.00 173.24 176.05 2aby h GLU 62 N 3.71 0.81 0.00 4.02 5.08 -2.01 -3.46 114.58 122.73 2aby h GLU 62 Ca -0.48 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.28 2aby h GLU 62 Cb 1.17 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2aby h GLU 62 CO 0.58 1.22 0.00 1.28 -1.00 0.00 0.00 179.01 181.09 2aby n LEU 63 N -4.00 0.00 -3.03 1.33 4.32 -1.26 -4.84 117.00 109.52 2aby n LEU 63 Ca -0.06 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.91 2aby n LEU 63 Cb 0.69 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.49 2aby n LEU 63 CO 0.51 -0.49 0.28 1.41 -1.22 0.00 0.00 177.39 177.88 2aby n HIS 64 N -1.12 -3.08 0.57 -1.77 8.25 -1.26 -4.87 115.22 111.94 2aby n HIS 64 Ca 0.00 1.19 0.07 0.00 -0.26 0.00 0.00 57.72 58.72 2aby n HIS 64 Cb 0.00 -4.09 0.33 0.00 1.12 0.00 0.00 29.99 27.35 2aby n HIS 64 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2aby n PRO 65 N -1.47 0.08 -0.06 -0.41 -0.04 -1.26 -3.37 135.00 128.47 2aby n PRO 65 Ca 0.02 0.21 -0.07 0.00 -0.04 0.00 0.00 63.50 63.62 2aby n PRO 65 Cb 0.50 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2aby n PRO 65 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2aby h GLU 66 N 0.00 0.05 -0.35 0.54 4.22 -2.01 -1.97 114.58 115.07 2aby h GLU 66 Ca 0.00 -0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 2aby h GLU 66 Cb 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2aby h GLU 66 CO 0.00 0.03 -0.18 0.93 -2.18 0.00 0.00 179.01 177.61 2aby h GLU 67 N 0.05 0.65 -0.11 1.92 3.07 -1.93 -2.26 114.58 115.97 2aby h GLU 67 Ca 0.12 -0.23 0.04 0.00 -0.50 0.00 0.00 59.36 58.79 2aby h GLU 67 Cb 0.17 -0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 27.98 2aby h GLU 67 CO -0.22 0.80 -0.24 0.00 -1.40 0.00 0.00 179.01 177.94 2aby h ARG 68 N 0.58 -0.31 -0.32 2.33 3.08 -1.53 0.21 114.38 118.41 2aby h ARG 68 Ca 0.09 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 2aby h ARG 68 Cb 0.64 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2aby h ARG 68 CO 0.04 -0.21 -0.23 1.57 -1.07 0.00 0.00 179.97 180.08 2aby h LYS 69 N -0.32 0.63 0.21 0.04 2.10 -1.39 -0.76 116.57 117.08 2aby h LYS 69 Ca 0.09 -0.24 -0.01 0.00 -2.00 0.00 0.00 60.65 58.49 2aby h LYS 69 Cb 0.46 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2aby h LYS 69 CO -0.30 0.81 -0.10 -0.22 -2.00 0.00 0.00 179.45 177.65 2aby h LYS 70 N 0.55 -0.27 -0.15 0.07 3.64 -0.73 -1.52 116.57 118.16 2aby h LYS 70 Ca 0.08 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 2aby h LYS 70 Cb 0.69 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2aby h LYS 70 CO 0.05 -0.15 -0.37 -0.39 -2.27 0.00 0.00 179.45 176.32 2aby h VAL 71 N -0.31 1.30 0.42 2.00 -1.51 -0.58 -0.51 116.25 117.05 2aby h VAL 71 Ca -0.03 -1.46 -0.02 0.00 -1.23 0.00 0.00 66.70 63.97 2aby h VAL 71 Cb 0.24 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2aby h VAL 71 CO 0.05 0.44 -0.21 0.03 -1.23 0.00 0.00 177.57 176.65 2aby h ARG 72 N 0.28 -0.55 -0.18 5.19 2.47 -0.89 0.13 114.38 120.84 2aby h ARG 72 Ca 0.03 0.04 -0.16 0.00 -1.26 0.00 0.00 59.98 58.63 2aby h ARG 72 Cb 0.79 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.22 2aby h ARG 72 CO 0.06 -0.37 -0.54 1.05 0.56 0.00 0.00 179.97 180.74 2aby h GLU 73 N -0.57 0.52 0.20 0.04 4.11 -1.28 -1.26 114.58 116.35 2aby h GLU 73 Ca -0.06 -0.32 -0.01 0.00 0.07 0.00 0.00 59.36 59.04 2aby h GLU 73 Cb 0.44 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2aby h GLU 73 CO 0.09 0.93 -0.10 -0.22 0.07 0.00 0.00 179.01 179.78 2aby h LYS 74 N 0.40 -0.26 -0.19 1.06 1.63 -0.94 -1.43 116.57 116.83 2aby h LYS 74 Ca 0.01 0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.72 2aby h LYS 74 Cb 1.07 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 2aby h LYS 74 CO 0.10 -0.12 -0.36 0.27 -3.45 0.00 0.00 179.45 175.89 2aby h PHE 75 N -0.34 0.48 0.02 1.91 -5.15 -0.76 -1.29 116.94 111.80 2aby h PHE 75 Ca -0.03 -0.12 0.00 0.00 -0.20 0.00 0.00 57.97 57.62 2aby h PHE 75 Cb 0.26 -0.11 -0.00 0.00 0.22 0.00 0.00 35.95 36.32 2aby h PHE 75 CO -0.04 0.72 -0.02 -0.44 -2.00 0.00 0.00 178.31 176.53 2aby h ASP 76 N 0.35 -0.04 -0.01 -0.68 3.32 -1.03 -0.32 116.42 118.00 2aby h ASP 76 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2aby h ASP 76 Cb 0.79 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 2aby h ASP 76 CO 0.06 -0.03 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.21 2aby h GLU 77 N -0.04 0.03 -0.95 3.56 5.08 -1.22 -1.51 114.58 119.54 2aby h GLU 77 Ca 0.00 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.53 2aby h GLU 77 Cb 0.04 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 2aby h GLU 77 CO -0.00 0.51 0.61 -0.97 -1.00 0.00 0.00 179.01 178.15 2aby h ASN 78 N -0.44 0.62 -0.03 1.42 -0.73 -1.20 0.34 115.58 115.56 2aby h ASN 78 Ca 0.00 0.06 -0.16 0.00 1.87 0.00 0.00 56.30 58.08 2aby h ASN 78 Cb 0.50 -0.05 0.01 0.00 0.27 0.00 0.00 38.32 39.05 2aby h ASN 78 CO 0.00 0.25 -0.59 -1.28 -0.37 0.00 0.00 177.43 175.45 2aby h SER 79 N 0.63 0.57 0.52 1.15 0.87 -1.00 -3.10 113.55 113.19 2aby h SER 79 Ca 0.51 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2aby h SER 79 Cb 0.97 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2aby h SER 79 CO -0.27 1.22 0.00 -2.11 -0.53 0.00 0.00 176.83 175.14 2aby n ARG 80 N -4.21 0.09 -1.25 2.24 -4.01 -0.47 -4.87 116.66 104.18 2aby n ARG 80 Ca -0.10 0.17 -0.39 0.00 -1.04 0.00 0.00 57.85 56.49 2aby n ARG 80 Cb 0.66 -1.50 0.01 0.00 -3.04 0.00 0.00 32.46 28.59 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 -1.43 0.04 -0.71 2.89 2.81 0.11 -4.86 117.12 115.97 2aby n MET 81 Ca 0.06 0.02 -0.33 0.00 -1.81 0.00 0.00 57.70 55.64 2aby n MET 81 Cb 0.19 -1.06 0.16 0.00 -0.71 0.00 0.00 33.22 31.80 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 1.43 -1.29 -0.02 0.03 3.00 -1.26 -4.63 117.38 114.64 2aby n GLN 82 Ca 0.08 -0.35 -0.03 0.00 -0.01 0.00 0.00 57.00 56.68 2aby n GLN 82 Cb 0.48 -1.70 0.20 0.00 0.00 0.00 0.00 30.24 29.22 2aby n GLN 82 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 2aby h TYR 83 N -1.93 0.63 0.18 1.08 5.03 -1.98 -1.66 116.97 118.32 2aby h TYR 83 Ca -0.51 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 60.69 2aby h TYR 83 Cb 1.35 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.45 2aby h TYR 83 CO 0.20 0.69 -0.16 1.03 -1.32 0.00 0.00 178.16 178.60 2aby h SER 84 N 0.53 -0.42 -0.25 -2.11 0.87 -1.98 0.17 113.55 110.36 2aby h SER 84 Ca 0.09 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 2aby h SER 84 Cb 0.55 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2aby h SER 84 CO 0.04 -0.24 -0.16 -0.08 -0.53 0.00 0.00 176.83 175.85 2aby h GLU 85 N -0.36 0.68 -0.57 2.24 4.57 -1.88 0.51 114.58 119.77 2aby h GLU 85 Ca -0.00 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 57.89 2aby h GLU 85 Cb 0.33 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2aby h GLU 85 CO -0.03 0.80 0.17 1.25 -1.18 0.00 0.00 179.01 180.02 2aby h LEU 86 N 0.61 0.84 0.00 1.64 7.12 -0.96 0.25 115.31 124.81 2aby h LEU 86 Ca 0.10 -0.21 -0.09 0.00 0.13 0.00 0.00 57.88 57.81 2aby h LEU 86 Cb 0.62 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 2aby h LEU 86 CO 0.04 0.83 -0.73 0.24 -0.13 0.00 0.00 178.44 178.70 2aby h MET 87 N 0.81 0.00 0.00 1.25 2.86 -0.52 -3.28 114.93 116.05 2aby h MET 87 Ca 0.18 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2aby h MET 87 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2aby h MET 87 CO -0.00 0.30 -0.04 1.15 1.06 0.00 0.00 176.91 179.37 2aby h THR 88 N 0.00 1.68 0.00 2.22 2.02 0.26 0.29 112.91 119.38 2aby h THR 88 Ca -0.04 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.08 2aby h THR 88 Cb 1.32 3.07 0.00 0.00 -1.74 0.00 0.00 68.15 70.80 2aby h THR 88 CO 0.04 0.54 0.00 1.17 0.37 0.00 0.00 175.52 177.64 2aby n LYS 89 N -4.65 0.08 -0.09 6.66 3.00 0.85 0.15 118.16 124.15 2aby n LYS 89 Ca -0.10 0.52 -0.16 0.00 -0.00 0.00 0.00 58.31 58.57 2aby n LYS 89 Cb 0.44 -1.73 -0.08 0.00 0.00 0.00 0.00 35.03 33.66 2aby n LYS 89 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2aby n TYR 90 N -1.89 0.00 0.81 5.64 9.36 -1.21 -3.56 117.16 126.32 2aby n TYR 90 Ca -0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 2aby n TYR 90 Cb 0.06 -0.70 0.44 0.00 -0.63 0.00 0.00 39.34 38.51 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 -3.41 0.40 -0.13 2.98 -0.00 0.10 -3.10 115.22 112.06 2aby n HIS 91 Ca -0.35 0.12 -0.23 0.00 0.46 0.00 0.00 57.72 57.72 2aby n HIS 91 Cb 0.81 -0.65 -0.11 0.00 -0.12 0.00 0.00 29.99 29.92 2aby n HIS 91 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2aby n ASP 92 N -1.85 1.98 0.21 0.26 2.03 0.40 -4.34 116.55 115.24 2aby n ASP 92 Ca 0.06 0.06 0.15 0.00 0.52 0.00 0.00 54.79 55.58 2aby n ASP 92 Cb 0.38 -0.57 0.68 0.00 -0.72 0.00 0.00 41.12 40.89 2aby n ASP 92 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2aby h LEU 93 N -0.42 0.00 -0.18 -2.67 3.38 -1.61 -1.77 115.31 112.05 2aby h LEU 93 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2aby h LEU 93 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2aby h LEU 93 CO -0.23 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.59 2aby n LYS 94 N -2.58 0.05 -0.03 1.13 -0.00 -1.18 -0.25 118.16 115.31 2aby n LYS 94 Ca 0.00 0.29 -0.09 0.00 -0.00 0.00 0.00 58.31 58.51 2aby n LYS 94 Cb 0.17 -1.59 -0.03 0.00 -0.00 0.00 0.00 35.03 33.57 2aby n LYS 94 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2aby h LYS 95 N 0.00 0.07 0.00 -1.58 3.11 -1.57 -3.37 116.57 113.23 2aby h LYS 95 Ca 0.00 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2aby h LYS 95 Cb 0.28 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2aby h LYS 95 CO 0.00 0.05 -1.04 1.04 -2.81 0.00 0.00 179.45 176.69 2aby n GLN 96 N -5.11 3.66 -2.98 1.90 1.13 -1.19 -4.95 117.38 109.84 2aby n GLN 96 Ca -0.03 -0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.59 2aby n GLN 96 Cb 0.09 -1.01 -0.05 0.00 0.11 0.00 0.00 30.24 29.38 2aby n GLN 96 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2aby s GLY 97 N -3.00 1.57 0.31 1.08 0.00 0.65 -5.03 107.32 102.90 2aby s GLY 97 Ca -0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 44.72 42.66 2aby s GLY 97 CO 0.02 1.81 1.18 0.54 0.00 0.00 0.00 173.10 176.65 2aby s LYS 98 N 3.38 4.49 0.03 2.90 -0.14 -1.26 -3.86 119.74 125.29 2aby s LYS 98 Ca 0.20 1.96 0.07 0.00 -1.36 0.00 0.00 55.97 56.84 2aby s LYS 98 Cb -0.18 -3.11 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 2aby s LYS 98 CO 0.12 0.03 -0.21 -1.50 -0.76 0.00 0.00 175.35 173.03 2aby s ILE 99 N -1.18 1.69 -0.02 2.17 2.07 -1.26 -4.76 121.20 119.92 2aby s ILE 99 Ca 0.47 -1.15 0.06 0.00 -1.41 0.00 0.00 60.65 58.62 2aby s ILE 99 Cb -0.35 -1.46 -0.02 0.00 0.13 0.00 0.00 42.46 40.77 2aby s ILE 99 CO 0.45 0.26 -0.20 -0.54 -1.91 0.00 0.00 174.94 173.00 2aby s LYS 100 N -1.05 1.67 -0.71 3.50 -0.14 -1.26 -5.09 119.74 116.66 2aby s LYS 100 Ca 0.08 -0.73 -0.15 0.00 -1.36 0.00 0.00 55.97 53.81 2aby s LYS 100 Cb -0.09 -1.60 0.18 0.00 -1.68 0.00 0.00 37.83 34.64 2aby s LYS 100 CO 0.01 0.43 0.65 0.34 -0.76 0.00 0.00 175.35 176.03 2aby s ASP 101 N -0.45 6.52 0.71 2.83 2.15 -1.26 -4.97 116.67 122.20 2aby s ASP 101 Ca 0.07 -2.31 -0.12 0.00 0.43 0.00 0.00 52.55 50.62 2aby s ASP 101 Cb -0.08 -2.21 0.02 0.00 -0.30 0.00 0.00 42.92 40.35 2aby s ASP 101 CO -0.01 -0.69 1.07 -0.13 -0.17 0.00 0.00 175.17 175.24 2aby s ARG 102 N 0.77 2.74 0.61 4.34 1.81 -1.26 -5.02 118.95 122.94 2aby s ARG 102 Ca 0.12 1.09 -0.17 0.00 -1.72 0.00 0.00 55.73 55.04 2aby s ARG 102 Cb -0.19 -1.96 -0.03 0.00 -0.45 0.00 0.00 34.95 32.33 2aby s ARG 102 CO -0.04 -1.26 1.12 -1.25 -0.68 0.00 0.00 175.30 173.19 2aby s PRO 103 N -4.82 3.04 0.04 3.54 0.04 -1.26 -5.02 135.00 130.56 2aby s PRO 103 Ca 0.60 1.48 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 2aby s PRO 103 Cb -0.16 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2aby s PRO 103 CO 0.52 -1.08 0.65 0.54 0.04 0.00 0.00 177.00 177.68 2aby s VAL 104 N -2.10 4.77 0.10 -0.36 0.11 -1.26 -4.81 120.40 116.85 2aby s VAL 104 Ca 0.69 1.38 -0.15 0.00 -2.93 0.00 0.00 61.98 60.98 2aby s VAL 104 Cb -0.22 -3.99 -0.07 0.00 -1.53 0.00 0.00 36.38 30.57 2aby s VAL 104 CO 0.35 0.44 0.51 -0.54 -3.33 0.00 0.00 175.10 172.54 2aby s LYS 105 N -0.44 3.99 0.22 1.54 -0.14 -0.77 -4.78 119.74 119.35 2aby s LYS 105 Ca 0.33 0.50 -0.30 0.00 -1.36 0.00 0.00 55.97 55.14 2aby s LYS 105 Cb -0.20 -3.05 -0.08 0.00 -1.68 0.00 0.00 37.83 32.82 2aby s LYS 105 CO 0.20 0.56 1.07 -1.21 -0.76 0.00 0.00 175.35 175.20 2aby s GLU 106 N -1.62 4.66 -0.05 1.68 0.41 -1.26 0.52 118.70 123.03 2aby s GLU 106 Ca 0.33 1.69 0.01 0.00 -0.41 0.00 0.00 54.97 56.59 2aby s GLU 106 Cb -0.16 -3.25 -0.03 0.00 -1.78 0.00 0.00 34.13 28.90 2aby s GLU 106 CO 0.18 0.20 -0.06 0.08 -0.49 0.00 0.00 175.26 175.17 2aby s VAL 107 N -0.68 3.78 0.43 2.63 1.01 -0.49 -4.85 120.40 122.22 2aby s VAL 107 Ca 0.46 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.96 2aby s VAL 107 Cb -0.29 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2aby s VAL 107 CO 0.36 0.56 0.06 -1.38 0.00 0.00 0.00 175.10 174.70 2aby s HIS 108 N -0.86 1.92 -0.18 5.22 -3.43 -1.26 -4.14 115.29 112.56 2aby s HIS 108 Ca 0.14 -1.05 -0.29 0.00 -0.80 0.00 0.00 55.06 53.05 2aby s HIS 108 Cb -0.11 -1.41 -0.00 0.00 -1.43 0.00 0.00 32.58 29.63 2aby s HIS 108 CO 0.03 0.02 1.05 -1.21 -2.00 0.00 0.00 174.74 172.63 2aby s GLU 109 N -3.80 4.32 0.00 -0.38 2.02 -1.26 -4.93 118.70 114.67 2aby s GLU 109 Ca 0.20 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.59 2aby s GLU 109 Cb 0.04 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.66 2aby s GLU 109 CO 0.11 -0.52 0.00 -1.91 0.02 0.00 0.00 175.26 172.95 2aby n GLU 110 N 5.86 -0.85 -3.97 1.61 4.07 -1.26 -5.11 120.64 120.99 2aby n GLU 110 Ca 0.11 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.90 2aby n GLU 110 Cb 0.47 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.70 2aby n GLU 110 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 2aby s TYR 111 N -3.00 3.39 0.34 4.31 2.02 -1.26 -4.85 117.35 118.30 2aby s TYR 111 Ca 0.00 -2.99 0.00 0.00 -0.37 0.00 0.00 57.07 53.71 2aby s TYR 111 Cb 0.00 -2.80 0.00 0.00 -0.40 0.00 0.00 41.96 38.76 2aby s TYR 111 CO 0.00 -0.86 0.00 -0.25 -1.57 0.00 0.00 175.55 172.87 2aby n ASP 112 N 3.83 -1.34 -3.23 2.29 8.00 -1.26 -5.13 116.55 119.72 2aby n ASP 112 Ca 0.04 0.60 -0.19 0.00 0.71 0.00 0.00 54.79 55.96 2aby n ASP 112 Cb 0.38 1.41 0.19 0.00 -0.02 0.00 0.00 41.12 43.08 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2aby n LEU 113 N -3.45 0.00 -0.26 0.64 4.32 -1.26 -4.88 117.00 112.11 2aby n LEU 113 Ca 0.00 -0.55 -0.06 0.00 -0.02 0.00 0.00 56.01 55.38 2aby n LEU 113 Cb 0.00 -0.68 0.05 0.00 -1.62 0.00 0.00 43.42 41.17 2aby n LEU 113 CO 0.00 -2.39 1.07 -0.50 -1.22 0.00 0.00 177.39 174.35 2aby h TRP 114 N -3.00 1.02 -6.09 -1.77 -0.00 -2.00 -3.47 115.95 100.63 2aby h TRP 114 Ca -0.25 -0.05 -0.25 0.00 -0.00 0.00 0.00 58.89 58.34 2aby h TRP 114 Cb 0.83 -0.32 0.00 0.00 -0.00 0.00 0.00 29.16 29.68 2aby h TRP 114 CO 0.00 0.75 -0.61 0.39 -0.00 0.00 0.00 178.44 178.97 2aby n GLU 115 N -4.44 -1.51 0.00 0.49 1.02 -1.26 -4.78 120.64 110.17 2aby n GLU 115 Ca 0.06 1.17 0.00 0.00 -0.02 0.00 0.00 57.16 58.37 2aby n GLU 115 Cb 0.13 -3.91 0.00 0.00 -0.02 0.00 0.00 31.44 27.63 2aby n GLU 115 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2aby n ASP 116 N -2.04 -0.07 0.07 1.62 8.00 -1.26 -4.92 116.55 117.95 2aby n ASP 116 Ca -0.15 0.44 -0.12 0.00 0.71 0.00 0.00 54.79 55.66 2aby n ASP 116 Cb 0.60 0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 42.11 2aby n ASP 116 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2aby h PRO 117 N 0.00 -0.21 0.00 -0.24 0.13 -1.90 -3.23 132.00 126.55 2aby h PRO 117 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2aby h PRO 117 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 2aby h PRO 117 CO 0.00 0.20 0.00 0.44 -0.23 0.00 0.00 178.00 178.41 2aby n ILE 118 N -4.97 0.59 -0.30 -3.56 -0.00 -1.26 -2.17 119.36 107.69 2aby n ILE 118 Ca -0.09 -0.27 -0.02 0.00 -0.00 0.00 0.00 62.75 62.38 2aby n ILE 118 Cb 0.26 -0.60 0.10 0.00 -0.00 0.00 0.00 39.64 39.40 2aby n ILE 118 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.55 176.30 2aby h TRP 119 N 0.00 0.98 0.00 4.28 7.01 -1.91 -3.42 115.95 122.90 2aby h TRP 119 Ca 0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 2aby h TRP 119 Cb 0.73 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 2aby h TRP 119 CO 0.00 0.56 0.00 0.94 -2.79 0.00 0.00 178.44 177.15 2aby n GLN 120 N -4.58 0.00 -1.13 2.65 7.27 -1.24 -5.01 117.38 115.34 2aby n GLN 120 Ca 0.10 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.86 2aby n GLN 120 Cb 0.09 -0.12 0.25 0.00 2.41 0.00 0.00 30.24 32.87 2aby n GLN 120 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2aby n TYR 121 N -2.87 -3.92 0.00 3.69 4.02 -0.92 -5.11 117.16 112.05 2aby n TYR 121 Ca 0.00 -1.02 0.00 0.00 -0.01 0.00 0.00 57.90 56.87 2aby n TYR 121 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 39.34 38.17 2aby n TYR 121 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29