#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 -5.97 -4.05 2.12 6.02 -1.26 -5.01 117.38 109.22 2aby n GLN 2 Ca 0.00 0.70 -0.17 0.00 -0.01 0.00 0.00 57.00 57.52 2aby n GLN 2 Cb 0.00 -5.31 -0.05 0.00 1.02 0.00 0.00 30.24 25.89 2aby n GLN 2 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2aby n LYS 3 N -3.87 0.53 0.00 -1.09 4.01 -1.26 -4.88 118.16 111.61 2aby n LYS 3 Ca -0.14 -3.00 0.00 0.00 -0.51 0.00 0.00 58.31 54.66 2aby n LYS 3 Cb 0.61 2.64 0.00 0.00 -0.51 0.00 0.00 35.03 37.77 2aby n LYS 3 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2aby n GLY 4 N -0.59 1.57 3.59 0.72 0.00 -1.26 -4.97 105.19 104.25 2aby n GLY 4 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 3.01 -0.05 0.99 2.01 -1.26 0.03 118.68 123.40 2aby s LEU 5 Ca 0.00 -0.78 0.05 0.00 0.01 0.00 0.00 54.13 53.41 2aby s LEU 5 Cb 0.00 -1.52 -0.02 0.00 0.01 0.00 0.00 46.19 44.67 2aby s LEU 5 CO 0.00 -0.01 -0.20 -1.83 1.01 0.00 0.00 176.35 175.33 2aby s GLU 6 N -3.63 2.53 0.00 1.70 4.04 -1.26 -2.09 118.70 119.99 2aby s GLU 6 Ca 0.31 -0.81 -0.02 0.00 0.04 0.00 0.00 54.97 54.50 2aby s GLU 6 Cb -0.06 -2.27 -0.01 0.00 0.02 0.00 0.00 34.13 31.81 2aby s GLU 6 CO 0.18 0.49 0.03 0.96 -1.84 0.00 0.00 175.26 175.09 2aby s ILE 7 N -0.42 0.06 0.06 1.83 -0.00 0.84 -4.99 121.20 118.59 2aby s ILE 7 Ca 0.04 -0.53 0.08 0.00 -0.00 0.00 0.00 60.65 60.24 2aby s ILE 7 Cb -0.12 -0.22 -0.03 0.00 -0.00 0.00 0.00 42.46 42.09 2aby s ILE 7 CO 0.02 -0.29 -0.23 0.00 -0.00 0.00 0.00 174.94 174.43 2aby s ALA 8 N -0.90 1.95 -0.02 2.27 0.00 -1.26 -1.46 121.76 122.34 2aby s ALA 8 Ca -0.10 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.72 2aby s ALA 8 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2aby s ALA 8 CO -0.00 0.44 -0.14 0.12 0.00 0.00 0.00 175.76 176.18 2aby s PHE 9 N -0.89 1.31 -0.12 0.00 5.36 -0.71 -4.87 117.98 118.06 2aby s PHE 9 Ca 0.09 -0.31 -0.04 0.00 -0.96 0.00 0.00 56.93 55.72 2aby s PHE 9 Cb -0.09 -0.87 -0.03 0.00 -0.34 0.00 0.00 43.02 41.68 2aby s PHE 9 CO 0.03 -0.08 0.02 1.14 -1.46 0.00 0.00 175.22 174.87 2aby s GLN 10 N -0.10 3.35 0.24 10.12 1.03 -1.20 -0.97 119.66 132.14 2aby s GLN 10 Ca 0.01 -0.38 0.01 0.00 0.04 0.00 0.00 55.36 55.04 2aby s GLN 10 Cb -0.08 -2.94 -0.04 0.00 0.03 0.00 0.00 33.01 29.98 2aby s GLN 10 CO 0.00 0.55 0.17 0.95 -2.54 0.00 0.00 175.29 174.42 2aby s THR 11 N -0.43 0.02 0.27 3.63 -4.23 0.96 -5.01 115.64 110.85 2aby s THR 11 Ca 0.08 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.39 2aby s THR 11 Cb -0.12 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.26 2aby s THR 11 CO 0.02 0.00 0.84 0.27 -0.54 0.00 0.00 174.62 175.21 2aby s ILE 12 N -3.93 0.00 -0.52 2.99 -5.25 -1.26 -0.83 121.20 112.40 2aby s ILE 12 Ca 0.39 -0.87 -0.27 0.00 -0.99 0.00 0.00 60.65 58.91 2aby s ILE 12 Cb 0.06 -2.37 -0.09 0.00 2.95 0.00 0.00 42.46 43.01 2aby s ILE 12 CO 0.17 0.00 2.43 -3.20 -1.79 0.00 0.00 174.94 172.54 2aby n ASN 13 N -0.84 2.17 0.00 4.36 5.15 -1.26 -4.26 115.26 120.58 2aby n ASN 13 Ca -0.06 -0.35 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 2aby n ASN 13 Cb 0.60 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 2aby n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2aby n GLY 14 N 6.06 -1.93 0.76 8.20 0.00 -1.26 -5.02 105.19 112.01 2aby n GLY 14 Ca 0.40 0.70 -0.02 0.00 0.00 0.00 0.00 46.02 47.09 2aby n GLY 14 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2aby n LEU 15 N -0.22 -0.30 -0.05 0.99 -0.00 -1.26 -4.91 117.00 111.25 2aby n LEU 15 Ca 0.00 -1.45 0.01 0.00 -0.00 0.00 0.00 56.01 54.57 2aby n LEU 15 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 2aby n LEU 15 CO 0.00 1.08 -0.90 0.47 -0.00 0.00 0.00 177.39 178.04 2aby n ASP 16 N 0.04 0.06 -0.29 1.45 8.00 -1.26 -4.33 116.55 120.22 2aby n ASP 16 Ca -0.10 0.03 0.21 0.00 0.71 0.00 0.00 54.79 55.64 2aby n ASP 16 Cb 0.64 1.42 0.51 0.00 -0.02 0.00 0.00 41.12 43.67 2aby n ASP 16 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2aby h GLU 17 N 0.00 0.39 -0.04 -1.24 4.11 -1.91 -0.21 114.58 115.69 2aby h GLU 17 Ca -0.26 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 2aby h GLU 17 Cb 1.60 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 2aby h GLU 17 CO 0.02 0.26 0.00 0.77 0.07 0.00 0.00 179.01 180.13 2aby h SER 18 N 0.40 0.06 -0.38 3.06 0.02 -1.98 -0.89 113.55 113.84 2aby h SER 18 Ca 0.54 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2aby h SER 18 Cb 1.36 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 2aby h SER 18 CO -0.23 0.34 0.20 0.25 -1.14 0.00 0.00 176.83 176.24 2aby h LEU 19 N -0.22 0.52 0.27 5.07 7.12 -1.33 0.24 115.31 126.97 2aby h LEU 19 Ca 0.01 -0.04 -0.01 0.00 0.13 0.00 0.00 57.88 57.96 2aby h LEU 19 Cb 0.31 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 2aby h LEU 19 CO 0.00 0.45 -0.13 0.58 -0.13 0.00 0.00 178.44 179.22 2aby h VAL 20 N 0.59 0.70 0.00 1.05 2.07 -0.99 0.16 116.25 119.83 2aby h VAL 20 Ca 0.15 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2aby h VAL 20 Cb 0.08 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2aby h VAL 20 CO -0.02 0.15 -0.15 1.56 0.02 0.00 0.00 177.57 179.13 2aby h GLN 21 N -0.82 0.00 0.00 1.57 4.20 -1.03 -0.95 115.11 118.08 2aby h GLN 21 Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2aby h GLN 21 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2aby h GLN 21 CO 0.06 0.15 -0.00 0.00 -0.67 0.00 0.00 178.83 178.37 2aby h ALA 22 N 1.85 -0.00 -0.35 3.87 0.00 -0.48 -3.19 119.26 120.96 2aby h ALA 22 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2aby h ALA 22 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2aby h ALA 22 CO 0.02 -0.01 0.11 1.37 0.00 0.00 0.00 179.25 180.73 2aby h LEU 23 N -0.99 0.45 0.31 0.00 8.10 -0.59 -1.03 115.31 121.57 2aby h LEU 23 Ca -0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 57.88 57.92 2aby h LEU 23 Cb 0.80 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.91 2aby h LEU 23 CO 0.00 0.44 -0.17 0.00 -4.11 0.00 0.00 178.44 174.61 2aby h ALA 24 N 1.63 -0.44 -0.47 0.17 0.00 -1.29 0.24 119.26 119.11 2aby h ALA 24 Ca 0.12 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2aby h ALA 24 Cb 0.16 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2aby h ALA 24 CO -0.01 -0.75 -0.21 0.78 0.00 0.00 0.00 179.25 179.06 2aby h GLY 25 N -0.45 1.04 0.78 0.00 0.00 -1.50 -0.94 103.07 102.00 2aby h GLY 25 Ca -0.04 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.38 2aby h GLY 25 CO 0.06 0.83 -0.04 -2.08 0.00 0.00 0.00 176.54 175.30 2aby h VAL 26 N 0.83 1.04 -0.20 4.60 2.07 -1.08 0.13 116.25 123.64 2aby h VAL 26 Ca 0.11 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2aby h VAL 26 Cb 0.78 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2aby h VAL 26 CO 0.06 0.12 0.09 0.71 0.02 0.00 0.00 177.57 178.57 2aby h THR 27 N -0.34 1.15 -0.69 2.57 1.35 -0.53 0.34 112.91 116.76 2aby h THR 27 Ca -0.01 -0.46 -0.03 0.00 -0.55 0.00 0.00 66.41 65.35 2aby h THR 27 Cb 0.29 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 2aby h THR 27 CO 0.02 0.15 0.29 0.00 -0.25 0.00 0.00 175.52 175.73 2aby h ALA 28 N 0.93 1.21 -0.03 6.62 0.00 -1.17 0.29 119.26 127.12 2aby h ALA 28 Ca 0.07 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 2aby h ALA 28 Cb 0.16 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2aby h ALA 28 CO -0.01 0.58 -0.83 1.03 0.00 0.00 0.00 179.25 180.02 2aby h SER 29 N 0.99 0.43 1.46 0.00 0.87 -0.50 -3.08 113.55 113.72 2aby h SER 29 Ca 0.23 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2aby h SER 29 Cb 0.17 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2aby h SER 29 CO -0.02 1.09 -0.10 0.44 -0.53 0.00 0.00 176.83 177.71 2aby h ASP 30 N 0.21 0.00 -2.26 6.23 5.19 0.04 -3.34 116.42 122.49 2aby h ASP 30 Ca -0.05 -0.03 -0.58 0.00 -0.62 0.00 0.00 57.03 55.75 2aby h ASP 30 Cb 1.44 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 40.53 2aby h ASP 30 CO 0.14 0.01 -0.68 0.49 -3.12 0.00 0.00 179.24 176.08 2aby n PHE 31 N -2.36 3.74 -0.05 4.55 3.72 0.10 -4.86 117.46 122.30 2aby n PHE 31 Ca 0.05 -3.99 -0.10 0.00 -0.05 0.00 0.00 57.45 53.36 2aby n PHE 31 Cb 0.45 -0.49 0.05 0.00 -0.94 0.00 0.00 39.48 38.56 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 3.01 0.70 0.00 -1.08 0.13 -1.68 -3.25 132.00 129.83 2aby h PRO 32 Ca 0.13 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2aby h PRO 32 Cb 0.54 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2aby h PRO 32 CO 0.79 0.98 -1.91 -0.25 -0.23 0.00 0.00 178.00 177.39 2aby n ASP 33 N -4.03 0.40 0.02 1.44 9.92 -1.26 -4.23 116.55 118.80 2aby n ASP 33 Ca -0.02 -0.02 0.06 0.00 -0.53 0.00 0.00 54.79 54.28 2aby n ASP 33 Cb 0.54 1.91 0.26 0.00 -0.64 0.00 0.00 41.12 43.18 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 -2.19 0.07 -3.49 0.64 4.32 -1.23 -4.89 117.00 110.22 2aby n LEU 34 Ca -0.04 0.52 -0.21 0.00 -0.02 0.00 0.00 56.01 56.26 2aby n LEU 34 Cb 0.52 -0.52 0.03 0.00 -1.62 0.00 0.00 43.42 41.84 2aby n LEU 34 CO 0.42 -0.36 0.01 0.47 -1.22 0.00 0.00 177.39 176.72 2aby n ASP 35 N -1.58 -6.02 -4.75 -1.43 8.00 -1.23 -4.38 116.55 105.15 2aby n ASP 35 Ca 0.02 -0.76 -0.41 0.00 0.71 0.00 0.00 54.79 54.35 2aby n ASP 35 Cb 0.13 -3.88 -0.03 0.00 -0.02 0.00 0.00 41.12 37.32 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 -3.29 3.27 -0.62 0.53 2.07 -1.25 -3.97 121.20 117.93 2aby s ILE 36 Ca 0.32 1.13 0.01 0.00 -1.41 0.00 0.00 60.65 60.69 2aby s ILE 36 Cb -0.09 -3.72 0.16 0.00 0.13 0.00 0.00 42.46 38.93 2aby s ILE 36 CO 0.82 0.21 0.40 -0.54 -1.91 0.00 0.00 174.94 173.93 2aby s LYS 37 N -0.73 2.39 0.20 3.50 -0.14 -0.55 -5.03 119.74 119.37 2aby s LYS 37 Ca 0.52 -2.72 0.10 0.00 -1.36 0.00 0.00 55.97 52.51 2aby s LYS 37 Cb -0.35 -3.56 -0.04 0.00 -1.68 0.00 0.00 37.83 32.19 2aby s LYS 37 CO 0.41 -1.17 -0.21 1.52 -0.76 0.00 0.00 175.35 175.14 2aby s TYR 38 N -0.41 2.10 0.08 3.18 1.13 -1.26 -0.54 117.35 121.62 2aby s TYR 38 Ca 0.19 -0.40 -0.26 0.00 -1.41 0.00 0.00 57.07 55.18 2aby s TYR 38 Cb -0.20 -1.02 0.07 0.00 -1.10 0.00 0.00 41.96 39.71 2aby s TYR 38 CO -0.04 0.46 0.63 1.21 -2.51 0.00 0.00 175.55 175.30 2aby s ASN 39 N -2.81 -0.60 -0.14 -0.18 3.84 -0.10 -4.98 114.94 109.96 2aby s ASN 39 Ca 0.20 0.28 0.00 0.00 0.21 0.00 0.00 52.86 53.56 2aby s ASN 39 Cb -0.06 0.57 0.02 0.00 -0.55 0.00 0.00 41.25 41.23 2aby s ASN 39 CO 0.09 -0.83 -0.13 0.27 -2.79 0.00 0.00 177.10 173.71 2aby s ILE 40 N -2.73 1.50 0.06 -5.21 -0.00 -1.26 -1.19 121.20 112.37 2aby s ILE 40 Ca -0.04 -0.59 0.05 0.00 -0.00 0.00 0.00 60.65 60.07 2aby s ILE 40 Cb -0.01 -1.41 -0.03 0.00 -0.00 0.00 0.00 42.46 41.01 2aby s ILE 40 CO -0.04 0.45 -0.15 0.72 -0.00 0.00 0.00 174.94 175.92 2aby s PHE 41 N 1.46 1.30 -0.24 1.37 -0.12 -0.50 -1.90 117.98 119.34 2aby s PHE 41 Ca 0.04 -0.41 -0.08 0.00 -0.05 0.00 0.00 56.93 56.43 2aby s PHE 41 Cb -0.13 -0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 41.48 2aby s PHE 41 CO -0.10 0.06 0.08 -1.17 -0.05 0.00 0.00 175.22 174.05 2aby s LEU 42 N -1.50 3.55 -0.11 -1.99 0.20 0.15 -1.59 118.68 117.39 2aby s LEU 42 Ca 0.01 -0.14 -0.05 0.00 0.69 0.00 0.00 54.13 54.63 2aby s LEU 42 Cb -0.09 -1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 43.69 2aby s LEU 42 CO 0.02 0.00 0.09 0.68 -0.29 0.00 0.00 176.35 176.86 2aby s VAL 43 N 1.39 5.08 -0.25 1.68 -7.23 -0.46 -1.07 120.40 119.55 2aby s VAL 43 Ca 0.05 0.05 -0.02 0.00 -1.81 0.00 0.00 61.98 60.25 2aby s VAL 43 Cb -0.15 -3.20 0.08 0.00 0.56 0.00 0.00 36.38 33.67 2aby s VAL 43 CO 0.04 0.60 0.06 -1.81 -0.31 0.00 0.00 175.10 173.69 2aby s ASP 44 N -0.89 3.43 -0.00 4.85 1.01 -1.25 -1.35 116.67 122.47 2aby s ASP 44 Ca 0.14 -1.18 0.02 0.00 0.71 0.00 0.00 52.55 52.23 2aby s ASP 44 Cb -0.12 -0.69 -0.01 0.00 1.01 0.00 0.00 42.92 43.11 2aby s ASP 44 CO 0.03 -0.36 -0.06 -0.22 0.21 0.00 0.00 175.17 174.77 2aby s LEU 45 N 1.78 2.02 -1.19 1.23 0.20 -0.63 -4.82 118.68 117.27 2aby s LEU 45 Ca 0.04 -0.13 -0.06 0.00 0.69 0.00 0.00 54.13 54.67 2aby s LEU 45 Cb -0.17 -0.31 0.01 0.00 -0.43 0.00 0.00 46.19 45.29 2aby s LEU 45 CO -0.17 0.06 0.80 -1.22 -0.29 0.00 0.00 176.35 175.53 2aby n TYR 46 N 2.88 -2.10 -1.09 5.38 4.01 -1.26 -1.69 117.16 123.28 2aby n TYR 46 Ca -0.13 0.69 -0.03 0.00 -0.16 0.00 0.00 57.90 58.26 2aby n TYR 46 Cb 0.58 -4.18 -0.01 0.00 -0.31 0.00 0.00 39.34 35.42 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 -1.62 0.40 3.51 2.72 0.00 -1.26 -4.96 105.19 103.98 2aby n GLY 47 Ca -0.03 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.92 3.40 -0.17 1.61 -0.21 -0.68 -5.11 119.66 116.58 2aby s GLN 48 Ca 0.00 -0.54 -0.06 0.00 0.02 0.00 0.00 55.36 54.78 2aby s GLN 48 Cb 0.00 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.17 2aby s GLN 48 CO 0.00 0.36 0.02 0.15 -2.12 0.00 0.00 175.29 173.70 2aby s LYS 49 N 0.04 3.84 0.01 2.91 3.01 -1.26 -1.61 119.74 126.68 2aby s LYS 49 Ca -0.01 -0.41 -0.06 0.00 -1.01 0.00 0.00 55.97 54.48 2aby s LYS 49 Cb -0.14 -3.09 -0.00 0.00 -1.01 0.00 0.00 37.83 33.59 2aby s LYS 49 CO 0.03 0.28 0.10 0.71 0.51 0.00 0.00 175.35 176.98 2aby s TYR 50 N 0.32 0.11 -0.18 3.18 1.51 -0.46 -4.92 117.35 116.91 2aby s TYR 50 Ca 0.00 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 55.70 2aby s TYR 50 Cb -0.13 -0.09 -0.04 0.00 -0.11 0.00 0.00 41.96 41.59 2aby s TYR 50 CO 0.01 -0.30 0.07 -0.06 -1.11 0.00 0.00 175.55 174.16 2aby s PHE 51 N -1.73 3.27 -0.03 2.71 0.40 -0.01 -1.35 117.98 121.24 2aby s PHE 51 Ca -0.12 0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.34 2aby s PHE 51 Cb -0.06 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.39 2aby s PHE 51 CO -0.00 0.18 -0.11 1.03 0.70 0.00 0.00 175.22 177.02 2aby s ARG 52 N 0.31 1.09 -0.04 0.44 0.52 -0.62 -0.03 118.95 120.63 2aby s ARG 52 Ca 0.04 -0.37 0.06 0.00 -0.52 0.00 0.00 55.73 54.94 2aby s ARG 52 Cb -0.12 -1.01 -0.01 0.00 0.52 0.00 0.00 34.95 34.33 2aby s ARG 52 CO 0.00 0.15 -0.23 0.96 0.02 0.00 0.00 175.30 176.20 2aby s ILE 53 N 0.12 1.83 -0.21 1.52 -5.25 -0.15 -1.41 121.20 117.66 2aby s ILE 53 Ca -0.02 -0.96 -0.01 0.00 -0.99 0.00 0.00 60.65 58.67 2aby s ILE 53 Cb -0.09 -1.55 0.01 0.00 2.95 0.00 0.00 42.46 43.79 2aby s ILE 53 CO 0.01 0.52 -0.12 -0.22 -1.79 0.00 0.00 174.94 173.33 2aby s LEU 54 N -0.23 2.63 -0.15 0.37 0.20 -0.33 -1.73 118.68 119.44 2aby s LEU 54 Ca 0.00 -0.63 0.00 0.00 0.69 0.00 0.00 54.13 54.19 2aby s LEU 54 Cb -0.12 -1.60 0.03 0.00 -0.43 0.00 0.00 46.19 44.07 2aby s LEU 54 CO 0.02 -0.04 -0.11 0.12 -0.29 0.00 0.00 176.35 176.06 2aby s PHE 55 N 1.35 1.95 0.06 5.38 5.36 -0.54 -0.93 117.98 130.61 2aby s PHE 55 Ca 0.04 -1.12 0.03 0.00 -0.96 0.00 0.00 56.93 54.92 2aby s PHE 55 Cb -0.14 -1.46 -0.03 0.00 -0.34 0.00 0.00 43.02 41.05 2aby s PHE 55 CO -0.08 -0.63 -0.08 1.14 -1.46 0.00 0.00 175.22 174.11 2aby s GLN 56 N 1.56 0.63 0.91 10.12 0.00 0.30 -0.12 119.66 133.05 2aby s GLN 56 Ca 0.04 -0.89 -0.15 0.00 -0.00 0.00 0.00 55.36 54.35 2aby s GLN 56 Cb -0.13 -0.35 0.21 0.00 0.00 0.00 0.00 33.01 32.73 2aby s GLN 56 CO -0.09 0.06 1.23 0.45 0.00 0.00 0.00 175.29 176.93 2aby n SER 57 N 1.16 0.08 0.11 12.60 2.88 -0.89 -1.49 113.62 128.08 2aby n SER 57 Ca -0.21 -1.44 -0.13 0.00 -1.33 0.00 0.00 58.87 55.76 2aby n SER 57 Cb 0.56 -0.94 -0.08 0.00 -0.75 0.00 0.00 64.21 62.99 2aby n SER 57 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2aby h LYS 58 N 0.00 -0.24 0.04 -1.46 1.63 -1.77 -3.17 116.57 111.61 2aby h LYS 58 Ca -0.40 0.02 -0.22 0.00 -0.85 0.00 0.00 60.65 59.20 2aby h LYS 58 Cb 1.10 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 2aby h LYS 58 CO 0.28 -0.03 -1.01 0.87 -3.45 0.00 0.00 179.45 176.10 2aby h LYS 59 N -0.40 0.14 -6.21 1.90 1.79 -1.94 -3.47 116.57 108.37 2aby h LYS 59 Ca -0.03 -0.20 -0.38 0.00 -2.18 0.00 0.00 60.65 57.87 2aby h LYS 59 Cb 0.31 0.07 -0.14 0.00 -1.58 0.00 0.00 32.23 30.89 2aby h LYS 59 CO 0.04 1.03 -0.59 1.47 -1.08 0.00 0.00 179.45 180.32 2aby n LEU 60 N -3.51 -0.58 -4.92 2.94 -0.00 -1.08 -4.87 117.00 104.98 2aby n LEU 60 Ca -0.04 -0.78 -0.31 0.00 -0.00 0.00 0.00 56.01 54.88 2aby n LEU 60 Cb 0.91 -0.97 -0.04 0.00 -0.00 0.00 0.00 43.42 43.31 2aby n LEU 60 CO 0.49 0.27 -0.15 -0.94 -0.00 0.00 0.00 177.39 177.06 2aby s SER 61 N -3.71 6.36 0.48 1.45 1.04 0.10 -4.78 113.70 114.65 2aby s SER 61 Ca 0.05 0.28 0.31 0.00 0.48 0.00 0.00 55.95 57.07 2aby s SER 61 Cb -0.03 -1.97 1.21 0.00 0.10 0.00 0.00 66.02 65.34 2aby s SER 61 CO 0.61 0.18 1.91 -0.08 0.98 0.00 0.00 173.24 176.84 2aby h GLU 62 N 3.16 0.00 -6.62 4.02 4.81 -1.89 -3.41 114.58 114.65 2aby h GLU 62 Ca -0.45 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.33 2aby h GLU 62 Cb 1.16 0.00 0.23 0.00 0.63 0.00 0.00 28.75 30.77 2aby h GLU 62 CO 0.75 0.00 -1.11 1.28 -0.73 0.00 0.00 179.01 179.21 2aby n LEU 63 N -2.92 -2.31 -2.54 1.64 4.77 -1.26 -4.51 117.00 109.87 2aby n LEU 63 Ca 0.01 -0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 55.78 2aby n LEU 63 Cb 0.31 -0.92 0.01 0.00 -2.33 0.00 0.00 43.42 40.49 2aby n LEU 63 CO 0.26 -3.07 0.01 1.41 -1.33 0.00 0.00 177.39 174.68 2aby n HIS 64 N -4.44 -2.74 0.17 -1.77 8.25 -1.26 -4.82 115.22 108.61 2aby n HIS 64 Ca 0.01 1.11 0.02 0.00 -0.26 0.00 0.00 57.72 58.60 2aby n HIS 64 Cb 0.62 -3.51 0.30 0.00 1.12 0.00 0.00 29.99 28.52 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 1.61 0.00 0.00 -0.41 0.13 -1.99 -2.83 132.00 128.51 2aby h PRO 65 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 2aby h PRO 65 Cb 0.72 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 2aby h PRO 65 CO 0.15 0.45 -0.73 1.49 -0.23 0.00 0.00 178.00 179.13 2aby h GLU 66 N 0.00 0.00 -0.00 0.86 4.81 -1.97 -3.18 114.58 115.10 2aby h GLU 66 Ca -0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 2aby h GLU 66 Cb 0.84 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 2aby h GLU 66 CO 0.06 0.73 -0.78 0.93 -0.73 0.00 0.00 179.01 179.23 2aby h GLU 67 N 0.00 0.06 -0.28 1.92 4.39 -1.86 -3.21 114.58 115.60 2aby h GLU 67 Ca -0.01 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.70 2aby h GLU 67 Cb 1.38 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.98 2aby h GLU 67 CO 0.10 0.80 -0.18 0.00 -1.16 0.00 0.00 179.01 178.57 2aby h ARG 68 N 0.03 -0.15 -0.48 2.33 3.08 -1.48 0.62 114.38 118.33 2aby h ARG 68 Ca -0.02 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2aby h ARG 68 Cb 1.37 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 2aby h ARG 68 CO 0.11 -0.10 0.06 1.57 -1.07 0.00 0.00 179.97 180.53 2aby h LYS 69 N -0.16 0.75 0.34 0.04 2.10 -1.69 -0.52 116.57 117.43 2aby h LYS 69 Ca 0.15 -0.17 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2aby h LYS 69 Cb 0.39 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2aby h LYS 69 CO -0.38 0.72 -0.16 -0.22 -2.00 0.00 0.00 179.45 177.41 2aby h LYS 70 N 0.71 -0.44 -0.21 0.07 3.64 -1.21 -1.60 116.57 117.54 2aby h LYS 70 Ca 0.15 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 2aby h LYS 70 Cb 0.35 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2aby h LYS 70 CO 0.01 -0.26 -0.19 -0.39 -2.27 0.00 0.00 179.45 176.35 2aby h VAL 71 N -0.50 1.23 -0.01 2.00 -1.51 -0.83 -0.95 116.25 115.68 2aby h VAL 71 Ca -0.05 -1.05 -0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2aby h VAL 71 Cb 0.38 1.28 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2aby h VAL 71 CO 0.08 0.33 0.01 0.03 -1.23 0.00 0.00 177.57 176.79 2aby h ARG 72 N 0.33 0.02 -0.13 5.19 2.47 -0.85 -0.85 114.38 120.57 2aby h ARG 72 Ca 0.06 -0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.62 2aby h ARG 72 Cb 0.53 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 2aby h ARG 72 CO 0.03 0.05 -0.58 1.05 0.56 0.00 0.00 179.97 181.09 2aby h GLU 73 N -0.02 0.40 0.34 0.04 4.11 -1.17 -0.55 114.58 117.73 2aby h GLU 73 Ca 0.00 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.16 2aby h GLU 73 Cb 0.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2aby h GLU 73 CO -0.00 0.86 -0.16 -0.22 0.07 0.00 0.00 179.01 179.56 2aby h LYS 74 N 0.30 -0.44 -0.13 1.06 3.11 -0.94 0.25 116.57 119.78 2aby h LYS 74 Ca -0.00 0.03 -0.16 0.00 -2.81 0.00 0.00 60.65 57.71 2aby h LYS 74 Cb 1.10 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 2aby h LYS 74 CO 0.10 -0.28 -0.59 0.27 -2.81 0.00 0.00 179.45 176.13 2aby h PHE 75 N -0.48 0.55 -0.03 1.91 -5.15 -1.20 -1.27 116.94 111.27 2aby h PHE 75 Ca -0.05 -0.20 -0.00 0.00 -0.20 0.00 0.00 57.97 57.52 2aby h PHE 75 Cb 0.36 -0.10 -0.00 0.00 0.22 0.00 0.00 35.95 36.43 2aby h PHE 75 CO -0.05 0.91 0.01 0.22 -2.00 0.00 0.00 178.31 177.40 2aby h ASP 76 N 0.32 0.05 -0.11 -0.68 3.58 -0.95 -0.36 116.42 118.28 2aby h ASP 76 Ca -0.00 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 2aby h ASP 76 Cb 1.12 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 2aby h ASP 76 CO 0.10 0.24 -0.03 -0.33 -2.88 0.00 0.00 179.24 176.34 2aby h GLU 77 N -0.15 0.21 -0.47 0.28 5.08 -0.53 -0.99 114.58 118.01 2aby h GLU 77 Ca 0.01 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2aby h GLU 77 Cb 0.22 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2aby h GLU 77 CO -0.00 0.53 0.31 -0.97 -1.00 0.00 0.00 179.01 177.88 2aby h ASN 78 N -0.13 0.37 0.03 1.42 -1.24 -1.24 0.45 115.58 115.25 2aby h ASN 78 Ca 0.03 -0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.76 2aby h ASN 78 Cb 0.46 -0.08 0.02 0.00 0.73 0.00 0.00 38.32 39.45 2aby h ASN 78 CO 0.01 0.25 -1.08 0.77 -1.29 0.00 0.00 177.43 176.09 2aby h SER 79 N 0.42 0.90 0.76 1.15 4.64 -0.91 -3.16 113.55 117.35 2aby h SER 79 Ca 0.20 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2aby h SER 79 Cb 0.26 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2aby h SER 79 CO -0.05 1.55 -0.04 -2.11 -0.87 0.00 0.00 176.83 175.31 2aby n ARG 80 N -3.85 0.21 -1.31 4.77 -4.01 -0.39 -4.92 116.66 107.16 2aby n ARG 80 Ca -0.12 -0.02 -0.41 0.00 -1.04 0.00 0.00 57.85 56.26 2aby n ARG 80 Cb 0.90 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.83 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 -1.38 0.07 -0.88 2.89 2.81 0.15 -4.88 117.12 115.90 2aby n MET 81 Ca 0.10 0.03 -0.31 0.00 -1.81 0.00 0.00 57.70 55.71 2aby n MET 81 Cb 0.30 -1.07 0.15 0.00 -0.71 0.00 0.00 33.22 31.89 2aby n MET 81 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2aby s GLN 82 N -1.09 1.28 0.38 0.03 -0.21 -1.26 -4.73 119.66 114.06 2aby s GLN 82 Ca 0.60 1.36 0.05 0.00 0.02 0.00 0.00 55.36 57.38 2aby s GLN 82 Cb -0.60 -1.77 0.74 0.00 1.00 0.00 0.00 33.01 32.38 2aby s GLN 82 CO 0.63 -2.39 2.03 1.88 -2.12 0.00 0.00 175.29 175.32 2aby h TYR 83 N -1.68 0.67 -0.21 0.91 0.05 -1.97 0.02 116.97 114.76 2aby h TYR 83 Ca -0.45 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.40 2aby h TYR 83 Cb 1.26 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 38.72 2aby h TYR 83 CO 0.51 0.42 -0.17 0.77 -1.05 0.00 0.00 178.16 178.64 2aby h SER 84 N 0.72 -0.54 0.72 3.88 0.02 -1.99 0.17 113.55 116.53 2aby h SER 84 Ca 0.20 0.11 -0.19 0.00 -0.84 0.00 0.00 61.79 61.07 2aby h SER 84 Cb -0.05 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2aby h SER 84 CO -0.05 -0.21 -0.87 -0.08 -1.14 0.00 0.00 176.83 174.49 2aby h GLU 85 N -0.17 0.09 -0.68 3.45 4.57 -1.84 -1.54 114.58 118.46 2aby h GLU 85 Ca 0.12 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2aby h GLU 85 Cb 0.36 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 2aby h GLU 85 CO -0.31 0.90 0.36 1.25 -1.18 0.00 0.00 179.01 180.02 2aby h LEU 86 N 0.05 0.86 0.01 1.64 7.12 -0.31 0.20 115.31 124.89 2aby h LEU 86 Ca -0.03 -0.11 -0.24 0.00 0.13 0.00 0.00 57.88 57.63 2aby h LEU 86 Cb 1.51 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 41.38 2aby h LEU 86 CO 0.12 0.72 -1.24 0.24 -0.13 0.00 0.00 178.44 178.16 2aby h MET 87 N 0.94 0.02 -0.01 1.25 2.86 -0.73 -3.18 114.93 116.09 2aby h MET 87 Ca 0.24 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2aby h MET 87 Cb 0.06 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2aby h MET 87 CO -0.04 0.87 -0.01 1.15 1.06 0.00 0.00 176.91 179.95 2aby h THR 88 N 0.01 1.38 0.00 2.22 2.02 -1.04 0.29 112.91 117.79 2aby h THR 88 Ca -0.10 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 65.95 2aby h THR 88 Cb 1.86 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 70.39 2aby h THR 88 CO 0.12 0.30 0.00 1.17 0.37 0.00 0.00 175.52 177.48 2aby n LYS 89 N -4.84 0.07 -0.13 6.66 3.00 0.69 0.41 118.16 124.03 2aby n LYS 89 Ca -0.08 0.23 -0.22 0.00 -0.00 0.00 0.00 58.31 58.23 2aby n LYS 89 Cb 0.25 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 33.67 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 -1.43 0.00 -0.09 5.64 9.36 -1.09 -4.23 117.16 125.32 2aby n TYR 90 Ca 0.04 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.13 2aby n TYR 90 Cb 0.14 -0.96 -0.06 0.00 -0.63 0.00 0.00 39.34 37.84 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 -3.64 0.65 0.31 2.98 -0.00 0.10 -4.24 115.22 111.38 2aby n HIS 91 Ca -0.48 0.28 0.18 0.00 0.46 0.00 0.00 57.72 58.17 2aby n HIS 91 Cb 0.93 -0.84 0.95 0.00 -0.12 0.00 0.00 29.99 30.91 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 0.34 0.26 3.58 -0.16 0.18 116.42 119.62 2aby h ASP 92 Ca -0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2aby h ASP 92 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2aby h ASP 92 CO -0.12 0.00 0.00 -0.11 -2.88 0.00 0.00 179.24 176.13 2aby n LEU 93 N -3.15 0.00 -0.34 2.28 0.00 -1.00 -3.31 117.00 111.48 2aby n LEU 93 Ca -0.01 0.43 0.26 0.00 0.00 0.00 0.00 56.01 56.69 2aby n LEU 93 Cb 0.28 -0.43 0.51 0.00 0.00 0.00 0.00 43.42 43.78 2aby n LEU 93 CO 0.19 -0.26 1.12 0.50 0.00 0.00 0.00 177.39 178.94 2aby h LYS 94 N 0.00 0.25 -0.31 1.96 1.63 -0.65 0.21 116.57 119.66 2aby h LYS 94 Ca 0.00 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 2aby h LYS 94 Cb 0.17 -0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.67 2aby h LYS 94 CO 0.00 0.16 -0.21 -0.22 -3.45 0.00 0.00 179.45 175.74 2aby h LYS 95 N 0.26 -0.17 0.00 1.90 1.63 -1.82 -0.52 116.57 117.85 2aby h LYS 95 Ca 0.76 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.47 2aby h LYS 95 Cb 1.85 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.50 2aby h LYS 95 CO -0.60 -0.11 -0.45 1.96 -3.45 0.00 0.00 179.45 176.80 2aby h GLN 96 N -0.17 0.00 0.00 1.90 1.08 -0.92 -3.49 115.11 113.52 2aby h GLN 96 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2aby h GLN 96 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2aby h GLN 96 CO -0.41 0.45 0.00 0.41 -0.95 0.00 0.00 178.83 178.32 2aby n GLY 97 N -0.19 -0.66 0.00 3.46 0.00 -0.20 -5.14 105.19 102.46 2aby n GLY 97 Ca -0.02 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2aby n GLY 97 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2aby n LYS 98 N 0.00 1.48 -4.53 1.61 2.85 -1.26 -3.40 118.16 114.90 2aby n LYS 98 Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 2aby n LYS 98 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 2aby n LYS 98 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2aby s ILE 99 N 0.31 1.48 -0.02 0.58 -4.36 -1.26 -4.92 121.20 113.02 2aby s ILE 99 Ca 0.00 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 2aby s ILE 99 Cb 0.00 -2.83 -0.01 0.00 1.25 0.00 0.00 42.46 40.86 2aby s ILE 99 CO 0.00 0.00 -0.19 -0.54 0.24 0.00 0.00 174.94 174.45 2aby s LYS 100 N -3.81 1.55 -0.73 0.37 1.02 -1.26 -5.08 119.74 111.79 2aby s LYS 100 Ca 0.34 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.61 2aby s LYS 100 Cb 0.09 -1.49 0.19 0.00 -0.52 0.00 0.00 37.83 36.09 2aby s LYS 100 CO 0.16 0.41 0.58 0.34 -0.92 0.00 0.00 175.35 175.92 2aby s ASP 101 N -0.44 5.67 0.60 2.83 2.15 -1.26 -4.75 116.67 121.48 2aby s ASP 101 Ca 0.07 -3.06 -0.16 0.00 0.43 0.00 0.00 52.55 49.83 2aby s ASP 101 Cb -0.07 -1.93 -0.03 0.00 -0.30 0.00 0.00 42.92 40.59 2aby s ASP 101 CO -0.01 -0.35 1.08 -0.13 -0.17 0.00 0.00 175.17 175.59 2aby s ARG 102 N -0.36 3.19 0.37 4.34 0.52 -1.26 -5.00 118.95 120.75 2aby s ARG 102 Ca 0.20 1.31 -0.26 0.00 -0.52 0.00 0.00 55.73 56.45 2aby s ARG 102 Cb -0.16 -2.01 -0.09 0.00 0.52 0.00 0.00 34.95 33.22 2aby s ARG 102 CO -0.06 -0.93 1.20 -1.25 0.02 0.00 0.00 175.30 174.28 2aby s PRO 103 N -3.96 4.18 0.17 3.54 0.04 -1.26 -5.00 135.00 132.71 2aby s PRO 103 Ca 0.66 1.94 -0.30 0.00 0.04 0.00 0.00 61.00 63.34 2aby s PRO 103 Cb -0.18 -2.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.46 2aby s PRO 103 CO 0.36 -0.25 1.05 0.54 0.04 0.00 0.00 177.00 178.75 2aby s VAL 104 N -1.31 4.03 0.05 -0.36 0.11 -1.26 -4.83 120.40 116.83 2aby s VAL 104 Ca 0.54 1.78 -0.11 0.00 -2.93 0.00 0.00 61.98 61.25 2aby s VAL 104 Cb -0.33 -4.13 -0.06 0.00 -1.53 0.00 0.00 36.38 30.33 2aby s VAL 104 CO 0.43 0.32 0.39 -0.54 -3.33 0.00 0.00 175.10 172.37 2aby s LYS 105 N -0.41 3.79 0.16 1.54 -0.14 -0.80 -4.85 119.74 119.03 2aby s LYS 105 Ca 0.48 0.23 -0.28 0.00 -1.36 0.00 0.00 55.97 55.04 2aby s LYS 105 Cb -0.28 -3.06 -0.07 0.00 -1.68 0.00 0.00 37.83 32.74 2aby s LYS 105 CO 0.34 0.60 0.87 -1.83 -0.76 0.00 0.00 175.35 174.56 2aby s GLU 106 N -1.66 4.68 -0.04 1.68 -1.05 -1.26 0.31 118.70 121.36 2aby s GLU 106 Ca 0.30 1.31 0.02 0.00 -0.15 0.00 0.00 54.97 56.45 2aby s GLU 106 Cb -0.15 -3.31 -0.03 0.00 -0.44 0.00 0.00 34.13 30.21 2aby s GLU 106 CO 0.16 0.44 -0.10 0.08 0.95 0.00 0.00 175.26 176.80 2aby s VAL 107 N -0.77 3.45 0.44 1.83 1.01 -0.23 -4.87 120.40 121.27 2aby s VAL 107 Ca 0.40 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2aby s VAL 107 Cb -0.24 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2aby s VAL 107 CO 0.28 0.54 0.08 -1.00 0.00 0.00 0.00 175.10 175.00 2aby s HIS 108 N -0.83 1.85 -0.18 5.22 3.76 -1.26 -3.80 115.29 120.04 2aby s HIS 108 Ca 0.13 -1.13 -0.29 0.00 -0.15 0.00 0.00 55.06 53.62 2aby s HIS 108 Cb -0.11 -1.34 -0.00 0.00 1.11 0.00 0.00 32.58 32.24 2aby s HIS 108 CO 0.03 -0.07 1.10 -1.21 -0.85 0.00 0.00 174.74 173.73 2aby s GLU 109 N -3.78 4.28 0.00 1.40 8.01 -1.26 -4.93 118.70 122.43 2aby s GLU 109 Ca 0.19 1.46 0.00 0.00 0.01 0.00 0.00 54.97 56.62 2aby s GLU 109 Cb 0.03 -3.65 0.00 0.00 -4.31 0.00 0.00 34.13 26.20 2aby s GLU 109 CO 0.11 -0.59 0.00 -1.91 0.01 0.00 0.00 175.26 172.88 2aby n GLU 110 N 6.12 -0.95 -3.89 1.61 2.13 -1.26 -5.11 120.64 119.29 2aby n GLU 110 Ca 0.12 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.60 2aby n GLU 110 Cb 0.46 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.04 2aby n GLU 110 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2aby s TYR 111 N -3.00 3.63 0.00 4.31 1.51 -1.26 -4.86 117.35 117.68 2aby s TYR 111 Ca 0.00 -2.76 0.00 0.00 -1.01 0.00 0.00 57.07 53.30 2aby s TYR 111 Cb 0.00 -3.06 0.00 0.00 -0.11 0.00 0.00 41.96 38.79 2aby s TYR 111 CO 0.00 -0.94 0.00 -0.25 -1.11 0.00 0.00 175.55 173.25 2aby n ASP 112 N 4.26 0.00 -3.13 2.29 9.92 -1.26 -5.14 116.55 123.49 2aby n ASP 112 Ca 0.02 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.16 2aby n ASP 112 Cb 0.41 0.19 0.12 0.00 -0.64 0.00 0.00 41.12 41.19 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2aby n LEU 113 N -1.99 0.00 -0.16 0.64 4.32 -1.26 -4.89 117.00 113.66 2aby n LEU 113 Ca 0.00 -0.34 -0.08 0.00 -0.02 0.00 0.00 56.01 55.57 2aby n LEU 113 Cb 0.00 -0.42 0.01 0.00 -1.62 0.00 0.00 43.42 41.40 2aby n LEU 113 CO 0.00 -2.02 1.02 -0.50 -1.22 0.00 0.00 177.39 174.67 2aby h TRP 114 N -2.58 0.65 -5.41 -1.77 -0.00 -2.00 -3.47 115.95 101.37 2aby h TRP 114 Ca -0.15 -0.01 -0.24 0.00 -0.00 0.00 0.00 58.89 58.49 2aby h TRP 114 Cb 0.52 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.47 2aby h TRP 114 CO 0.00 0.47 -0.58 -0.85 -0.00 0.00 0.00 178.44 177.48 2aby n GLU 115 N -4.68 -0.84 0.00 0.49 0.28 -1.26 -4.55 120.64 110.08 2aby n GLU 115 Ca 0.02 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 2aby n GLU 115 Cb 0.07 -1.08 0.00 0.00 1.43 0.00 0.00 31.44 31.86 2aby n GLU 115 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2aby n ASP 116 N -0.63 -0.04 0.23 -1.84 2.03 -1.26 -4.91 116.55 110.13 2aby n ASP 116 Ca -0.13 0.46 -0.11 0.00 0.52 0.00 0.00 54.79 55.53 2aby n ASP 116 Cb 0.35 0.49 -0.05 0.00 -0.72 0.00 0.00 41.12 41.19 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 -0.63 0.00 -0.67 0.13 -1.94 -3.29 132.00 125.60 2aby h PRO 117 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2aby h PRO 117 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2aby h PRO 117 CO 0.00 -0.38 -0.06 0.44 -0.23 0.00 0.00 178.00 177.77 2aby n ILE 118 N -5.21 0.48 0.26 -3.56 -0.00 -1.26 -2.83 119.36 107.23 2aby n ILE 118 Ca -0.09 -0.24 0.16 0.00 -0.00 0.00 0.00 62.75 62.59 2aby n ILE 118 Cb 0.27 -0.52 0.89 0.00 -0.00 0.00 0.00 39.64 40.29 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 0.00 0.00 4.28 2.91 -1.90 -3.37 115.95 117.87 2aby h TRP 119 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2aby h TRP 119 Cb 0.70 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.35 2aby h TRP 119 CO 0.00 0.00 0.00 1.04 -1.03 0.00 0.00 178.44 178.45 2aby n GLN 120 N -3.80 0.00 -1.11 2.65 1.13 -1.23 -4.97 117.38 110.06 2aby n GLN 120 Ca -0.01 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.94 2aby n GLN 120 Cb 0.18 -0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.59 2aby n GLN 120 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2aby n TYR 121 N -2.50 -3.57 0.13 1.08 9.36 -1.13 -5.15 117.16 115.38 2aby n TYR 121 Ca 0.00 -0.60 0.01 0.00 3.32 0.00 0.00 57.90 60.63 2aby n TYR 121 Cb 0.00 -0.35 0.06 0.00 -0.63 0.00 0.00 39.34 38.42 2aby n TYR 121 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19