#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aby s GLN 2 N 0.00 2.82 0.00 0.03 -0.21 -1.26 -5.07 119.66 115.98 2aby s GLN 2 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.70 2aby s GLN 2 Cb 0.00 -2.70 0.00 0.00 1.00 0.00 0.00 33.01 31.31 2aby s GLN 2 CO 0.00 0.58 0.00 1.63 -2.12 0.00 0.00 175.29 175.38 2aby n LYS 3 N 0.70 0.00 -0.63 2.91 5.02 -1.26 -5.01 118.16 119.88 2aby n LYS 3 Ca -0.10 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2aby n LYS 3 Cb 0.52 -0.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 2aby n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aby n GLY 4 N 1.75 0.63 3.28 0.72 0.00 -1.26 -4.94 105.19 105.37 2aby n GLY 4 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 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 2.53 -0.23 0.99 2.01 -1.26 -0.14 118.68 122.57 2aby s LEU 5 Ca 0.00 -0.99 -0.08 0.00 0.01 0.00 0.00 54.13 53.07 2aby s LEU 5 Cb 0.00 -0.49 -0.04 0.00 0.01 0.00 0.00 46.19 45.67 2aby s LEU 5 CO 0.00 -0.25 0.09 -1.61 1.01 0.00 0.00 176.35 175.59 2aby s GLU 6 N -3.60 3.80 0.00 1.70 2.02 -1.26 -2.96 118.70 118.41 2aby s GLU 6 Ca 0.18 -0.41 0.01 0.00 0.02 0.00 0.00 54.97 54.77 2aby s GLU 6 Cb 0.01 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.88 2aby s GLU 6 CO 0.03 -0.05 -0.04 0.96 0.02 0.00 0.00 175.26 176.18 2aby s ILE 7 N 1.27 0.33 0.05 -1.63 -0.00 -0.23 -5.03 121.20 115.95 2aby s ILE 7 Ca 0.05 -0.26 0.05 0.00 -0.00 0.00 0.00 60.65 60.50 2aby s ILE 7 Cb -0.15 -0.29 -0.02 0.00 -0.00 0.00 0.00 42.46 42.00 2aby s ILE 7 CO 0.04 0.04 -0.15 0.00 -0.00 0.00 0.00 174.94 174.87 2aby s ALA 8 N -0.23 1.27 -0.07 2.27 0.00 -1.26 -1.05 121.76 122.69 2aby s ALA 8 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.11 2aby s ALA 8 Cb -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 2aby s ALA 8 CO -0.00 0.24 -0.23 0.12 0.00 0.00 0.00 175.76 175.89 2aby s PHE 9 N -0.93 2.33 0.14 0.00 5.36 0.28 -4.41 117.98 120.75 2aby s PHE 9 Ca 0.02 -0.79 0.05 0.00 -0.96 0.00 0.00 56.93 55.25 2aby s PHE 9 Cb -0.08 -1.55 -0.04 0.00 -0.34 0.00 0.00 43.02 41.01 2aby s PHE 9 CO 0.02 -0.28 0.06 1.14 -1.46 0.00 0.00 175.22 174.70 2aby s GLN 10 N 0.07 2.69 -0.15 10.12 1.03 -1.26 0.32 119.66 132.47 2aby s GLN 10 Ca -0.09 -0.90 -0.02 0.00 0.04 0.00 0.00 55.36 54.38 2aby s GLN 10 Cb -0.15 -2.56 0.05 0.00 0.03 0.00 0.00 33.01 30.38 2aby s GLN 10 CO 0.05 0.50 0.03 -0.08 -2.54 0.00 0.00 175.29 173.25 2aby s THR 11 N -1.59 0.43 0.34 3.63 -1.32 0.89 -4.96 115.64 113.06 2aby s THR 11 Ca 0.29 -0.29 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 2aby s THR 11 Cb -0.11 -0.83 -0.02 0.00 -1.51 0.00 0.00 72.50 70.04 2aby s THR 11 CO 0.21 -0.05 0.15 2.30 -2.21 0.00 0.00 174.62 175.02 2aby n ILE 12 N 5.10 0.00 -3.57 5.08 -6.64 -1.26 -1.72 119.36 116.34 2aby n ILE 12 Ca -0.08 -2.07 -0.25 0.00 -1.77 0.00 0.00 62.75 58.57 2aby n ILE 12 Cb 0.48 0.80 0.06 0.00 -1.44 0.00 0.00 39.64 39.54 2aby n ILE 12 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 2aby n ASN 13 N -1.65 -5.86 0.00 7.28 2.85 -1.26 -4.58 115.26 112.04 2aby n ASN 13 Ca -0.03 -0.55 0.00 0.00 -0.11 0.00 0.00 54.58 53.89 2aby n ASN 13 Cb 0.53 -4.65 0.00 0.00 1.24 0.00 0.00 39.78 36.90 2aby n ASN 13 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2aby n GLY 14 N -1.82 0.15 0.08 8.20 0.00 -1.26 -4.96 105.19 105.58 2aby n GLY 14 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -2.34 0.99 4.77 -1.26 -4.95 117.00 114.21 2aby n LEU 15 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2aby n LEU 15 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2aby n LEU 15 CO 0.00 -0.02 -0.12 0.47 -1.33 0.00 0.00 177.39 176.39 2aby n ASP 16 N -1.54 -3.15 0.26 -1.43 8.00 -1.26 -4.78 116.55 112.65 2aby n ASP 16 Ca 0.00 0.26 0.10 0.00 0.71 0.00 0.00 54.79 55.86 2aby n ASP 16 Cb 0.00 -2.75 0.70 0.00 -0.02 0.00 0.00 41.12 39.06 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 0.00 -0.09 -1.24 4.11 -1.98 -1.47 114.58 113.92 2aby h GLU 17 Ca -0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.20 2aby h GLU 17 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2aby h GLU 17 CO 0.27 0.05 0.03 0.77 0.07 0.00 0.00 179.01 180.20 2aby h SER 18 N 0.00 0.12 -0.33 3.06 0.02 -1.98 0.29 113.55 114.73 2aby h SER 18 Ca -0.00 -0.17 -0.17 0.00 -0.84 0.00 0.00 61.79 60.61 2aby h SER 18 Cb 0.10 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 2aby h SER 18 CO 0.01 0.26 -0.46 0.25 -1.14 0.00 0.00 176.83 175.75 2aby h LEU 19 N -0.03 0.97 -0.17 5.07 6.46 -1.84 0.42 115.31 126.20 2aby h LEU 19 Ca 0.03 -0.50 -0.02 0.00 -0.12 0.00 0.00 57.88 57.27 2aby h LEU 19 Cb 0.18 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 2aby h LEU 19 CO -0.00 1.28 0.03 0.58 -0.62 0.00 0.00 178.44 179.71 2aby h VAL 20 N 0.69 1.21 -0.11 1.05 2.07 -1.21 0.40 116.25 120.35 2aby h VAL 20 Ca 0.04 -0.68 -0.13 0.00 0.82 0.00 0.00 66.70 66.74 2aby h VAL 20 Cb 1.06 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2aby h VAL 20 CO 0.11 0.21 -0.52 0.06 0.02 0.00 0.00 177.57 177.44 2aby h GLN 21 N 0.07 0.30 0.09 1.57 3.07 -0.45 -0.64 115.11 119.12 2aby h GLN 21 Ca 0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 58.65 58.61 2aby h GLN 21 Cb 0.28 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.86 2aby h GLN 21 CO 0.00 0.75 -0.04 0.00 0.09 0.00 0.00 178.83 179.63 2aby h ALA 22 N 1.22 -0.12 -0.71 0.06 0.00 -0.78 -0.38 119.26 118.54 2aby h ALA 22 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2aby h ALA 22 Cb 1.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2aby h ALA 22 CO 0.08 -0.23 0.27 1.37 0.00 0.00 0.00 179.25 180.74 2aby h LEU 23 N -0.80 0.98 0.11 0.00 8.10 -0.25 0.19 115.31 123.64 2aby h LEU 23 Ca -0.01 -0.15 -0.01 0.00 0.11 0.00 0.00 57.88 57.82 2aby h LEU 23 Cb 0.58 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 40.55 2aby h LEU 23 CO 0.02 0.88 -0.05 0.00 -4.11 0.00 0.00 178.44 175.18 2aby h ALA 24 N 1.25 -0.14 -0.58 0.17 0.00 -1.19 -1.58 119.26 117.19 2aby h ALA 24 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2aby h ALA 24 Cb 0.22 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2aby h ALA 24 CO -0.02 -0.33 0.26 0.78 0.00 0.00 0.00 179.25 179.94 2aby h GLY 25 N -0.65 0.91 0.96 0.00 0.00 -1.00 -1.22 103.07 102.07 2aby h GLY 25 Ca -0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 2aby h GLY 25 CO 0.02 0.45 0.15 -2.08 0.00 0.00 0.00 176.54 175.08 2aby h VAL 26 N 0.79 1.22 0.37 4.60 2.07 -0.69 -0.42 116.25 124.19 2aby h VAL 26 Ca 0.20 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2aby h VAL 26 Cb 0.16 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2aby h VAL 26 CO -0.02 0.26 -0.18 0.74 0.02 0.00 0.00 177.57 178.39 2aby h THR 27 N 0.59 0.64 -0.85 2.57 2.02 -1.12 0.34 112.91 117.09 2aby h THR 27 Ca 0.15 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.17 2aby h THR 27 Cb 0.25 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 2aby h THR 27 CO -0.01 0.04 0.56 0.00 0.37 0.00 0.00 175.52 176.48 2aby h ALA 28 N -0.03 1.48 -0.03 6.16 0.00 -1.21 0.17 119.26 125.80 2aby h ALA 28 Ca -0.05 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2aby h ALA 28 Cb 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2aby h ALA 28 CO 0.08 0.43 -0.71 0.66 0.00 0.00 0.00 179.25 179.72 2aby h SER 29 N 1.05 0.22 1.73 0.00 4.64 -0.89 -2.99 113.55 117.30 2aby h SER 29 Ca 0.34 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2aby h SER 29 Cb 0.05 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2aby h SER 29 CO -0.10 0.85 -0.03 -0.78 -0.87 0.00 0.00 176.83 175.90 2aby h ASP 30 N 0.12 0.00 -2.78 4.97 3.58 0.61 -3.37 116.42 119.55 2aby h ASP 30 Ca -0.02 -0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.75 2aby h ASP 30 Cb 1.25 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 41.93 2aby h ASP 30 CO 0.11 0.00 -0.14 0.49 -2.88 0.00 0.00 179.24 176.82 2aby n PHE 31 N -2.71 3.50 0.35 0.28 3.01 0.51 -4.86 117.46 117.54 2aby n PHE 31 Ca 0.05 -3.83 0.14 0.00 1.01 0.00 0.00 57.45 54.82 2aby n PHE 31 Cb 0.48 -0.90 0.58 0.00 -0.01 0.00 0.00 39.48 39.64 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2aby h PRO 32 N 5.12 0.00 0.00 -1.08 0.13 -1.73 -2.78 132.00 131.66 2aby h PRO 32 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2aby h PRO 32 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2aby h PRO 32 CO 0.94 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.46 2aby n ASP 33 N -2.59 0.45 -0.90 1.44 8.00 -1.26 -4.83 116.55 116.86 2aby n ASP 33 Ca 0.01 0.65 -0.12 0.00 0.71 0.00 0.00 54.79 56.05 2aby n ASP 33 Cb 0.25 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.12 40.57 2aby n ASP 33 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2aby n LEU 34 N -2.04 -0.69 -0.41 0.64 4.77 -1.05 -4.84 117.00 113.39 2aby n LEU 34 Ca 0.01 0.29 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 2aby n LEU 34 Cb 0.13 -2.17 0.48 0.00 -2.33 0.00 0.00 43.42 39.53 2aby n LEU 34 CO 0.13 -0.78 0.83 0.47 -1.33 0.00 0.00 177.39 176.71 2aby n ASP 35 N -0.53 1.25 -4.78 -1.43 8.00 -1.26 -4.84 116.55 112.95 2aby n ASP 35 Ca -0.12 -1.57 -0.36 0.00 0.71 0.00 0.00 54.79 53.46 2aby n ASP 35 Cb 0.47 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.44 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 -1.89 4.97 -0.27 0.53 -1.16 -1.26 -2.74 121.20 119.38 2aby s ILE 36 Ca 0.34 0.01 -0.00 0.00 -0.51 0.00 0.00 60.65 60.48 2aby s ILE 36 Cb 0.18 -3.14 0.05 0.00 0.61 0.00 0.00 42.46 40.15 2aby s ILE 36 CO 0.28 0.60 -0.06 -0.54 -2.81 0.00 0.00 174.94 172.41 2aby s LYS 37 N -0.85 2.50 0.11 3.50 -0.14 -0.23 -5.02 119.74 119.61 2aby s LYS 37 Ca 0.13 -1.20 0.10 0.00 -1.36 0.00 0.00 55.97 53.64 2aby s LYS 37 Cb -0.12 -3.02 -0.04 0.00 -1.68 0.00 0.00 37.83 32.97 2aby s LYS 37 CO 0.03 -0.53 -0.26 -0.47 -0.76 0.00 0.00 175.35 173.36 2aby s TYR 38 N 1.23 2.21 -0.26 3.18 6.14 -1.26 0.05 117.35 128.63 2aby s TYR 38 Ca -0.05 -0.39 -0.15 0.00 0.64 0.00 0.00 57.07 57.12 2aby s TYR 38 Cb -0.19 -1.22 0.08 0.00 0.42 0.00 0.00 41.96 41.05 2aby s TYR 38 CO -0.04 0.28 0.65 -0.80 0.64 0.00 0.00 175.55 176.28 2aby s ASN 39 N -1.87 -0.87 -0.20 4.32 0.01 -0.19 -5.00 114.94 111.14 2aby s ASN 39 Ca 0.12 1.42 -0.01 0.00 -0.71 0.00 0.00 52.86 53.68 2aby s ASN 39 Cb -0.10 1.29 0.01 0.00 0.41 0.00 0.00 41.25 42.86 2aby s ASN 39 CO 0.05 -0.23 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.64 2aby s ILE 40 N 1.55 2.58 0.07 0.60 1.01 -1.26 -0.18 121.20 125.57 2aby s ILE 40 Ca -0.10 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 59.84 2aby s ILE 40 Cb -0.06 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 2aby s ILE 40 CO -0.18 0.49 -0.15 0.72 0.00 0.00 0.00 174.94 175.82 2aby s PHE 41 N 1.36 1.27 -0.23 3.97 -0.12 -0.56 -2.15 117.98 121.52 2aby s PHE 41 Ca 0.05 -0.45 -0.09 0.00 -0.05 0.00 0.00 56.93 56.39 2aby s PHE 41 Cb -0.14 -0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 41.49 2aby s PHE 41 CO -0.09 0.07 0.13 -1.17 -0.05 0.00 0.00 175.22 174.11 2aby s LEU 42 N -1.72 3.92 -0.16 -1.99 2.96 0.17 -1.81 118.68 120.05 2aby s LEU 42 Ca -0.01 0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.87 2aby s LEU 42 Cb -0.10 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2aby s LEU 42 CO 0.02 0.06 0.06 0.68 -1.32 0.00 0.00 176.35 175.85 2aby s VAL 43 N 1.10 4.80 -0.28 1.68 -7.23 0.11 -1.00 120.40 119.57 2aby s VAL 43 Ca 0.06 -0.04 -0.02 0.00 -1.81 0.00 0.00 61.98 60.18 2aby s VAL 43 Cb -0.14 -3.14 0.09 0.00 0.56 0.00 0.00 36.38 33.76 2aby s VAL 43 CO 0.04 0.50 0.09 1.51 -0.31 0.00 0.00 175.10 176.93 2aby s ASP 44 N 0.06 3.71 0.08 4.85 -4.77 -1.25 -0.05 116.67 119.30 2aby s ASP 44 Ca 0.05 -1.40 0.04 0.00 -3.30 0.00 0.00 52.55 47.94 2aby s ASP 44 Cb -0.12 -0.69 -0.03 0.00 -1.09 0.00 0.00 42.92 40.98 2aby s ASP 44 CO 0.01 -0.40 -0.11 -0.76 0.70 0.00 0.00 175.17 174.61 2aby s LEU 45 N 1.78 2.36 -1.58 2.11 1.02 -0.54 -4.80 118.68 119.02 2aby s LEU 45 Ca 0.08 -0.73 -0.04 0.00 0.02 0.00 0.00 54.13 53.46 2aby s LEU 45 Cb -0.17 -0.33 0.01 0.00 0.02 0.00 0.00 46.19 45.72 2aby s LEU 45 CO -0.25 -0.21 0.41 -1.22 0.02 0.00 0.00 176.35 175.10 2aby n TYR 46 N 0.84 -1.67 -1.00 0.29 4.02 -1.26 -0.75 117.16 117.63 2aby n TYR 46 Ca -0.18 0.35 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 2aby n TYR 46 Cb 0.56 -4.17 0.00 0.00 -0.02 0.00 0.00 39.34 35.72 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 -1.33 0.20 3.60 2.72 0.00 -1.26 -4.98 105.19 104.14 2aby n GLY 47 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.21 2.74 -0.18 1.61 -0.21 0.07 -5.11 119.66 117.37 2aby s GLN 48 Ca 0.00 -0.57 -0.07 0.00 0.02 0.00 0.00 55.36 54.75 2aby s GLN 48 Cb 0.00 -2.60 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 2aby s GLN 48 CO 0.00 0.66 0.05 0.15 -2.12 0.00 0.00 175.29 174.02 2aby s LYS 49 N -0.98 3.91 -0.02 2.91 3.01 -1.26 -1.47 119.74 125.83 2aby s LYS 49 Ca 0.14 -0.38 -0.06 0.00 -1.01 0.00 0.00 55.97 54.65 2aby s LYS 49 Cb -0.11 -3.17 0.00 0.00 -1.01 0.00 0.00 37.83 33.54 2aby s LYS 49 CO 0.03 0.24 0.14 0.71 0.51 0.00 0.00 175.35 176.98 2aby s TYR 50 N 0.45 -0.02 -0.02 3.18 2.02 0.93 -4.90 117.35 118.99 2aby s TYR 50 Ca 0.02 0.03 -0.01 0.00 -0.37 0.00 0.00 57.07 56.74 2aby s TYR 50 Cb -0.13 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 2aby s TYR 50 CO 0.01 -0.22 0.07 -0.06 -1.57 0.00 0.00 175.55 173.78 2aby s PHE 51 N -0.93 3.27 -0.03 2.71 0.40 -0.70 0.07 117.98 122.78 2aby s PHE 51 Ca -0.10 0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 56.35 2aby s PHE 51 Cb -0.06 -1.75 0.01 0.00 0.51 0.00 0.00 43.02 41.74 2aby s PHE 51 CO 0.01 0.55 0.21 1.03 0.70 0.00 0.00 175.22 177.72 2aby s ARG 52 N -1.59 0.47 -0.02 0.44 3.00 -0.75 -0.08 118.95 120.42 2aby s ARG 52 Ca 0.21 -0.14 0.04 0.00 0.00 0.00 0.00 55.73 55.83 2aby s ARG 52 Cb -0.12 0.21 -0.01 0.00 0.00 0.00 0.00 34.95 35.03 2aby s ARG 52 CO 0.12 -0.11 -0.12 0.96 0.00 0.00 0.00 175.30 176.14 2aby s ILE 53 N -0.95 1.01 -0.13 1.52 -5.25 0.15 -1.50 121.20 116.05 2aby s ILE 53 Ca -0.10 -0.53 0.01 0.00 -0.99 0.00 0.00 60.65 59.04 2aby s ILE 53 Cb -0.05 -0.85 -0.01 0.00 2.95 0.00 0.00 42.46 44.50 2aby s ILE 53 CO 0.02 0.29 -0.16 -0.22 -1.79 0.00 0.00 174.94 173.08 2aby s LEU 54 N -0.17 2.52 -0.13 0.37 0.20 0.74 -0.56 118.68 121.66 2aby s LEU 54 Ca 0.02 -0.41 -0.00 0.00 0.69 0.00 0.00 54.13 54.44 2aby s LEU 54 Cb -0.06 -1.55 0.03 0.00 -0.43 0.00 0.00 46.19 44.17 2aby s LEU 54 CO -0.00 0.15 -0.10 0.12 -0.29 0.00 0.00 176.35 176.24 2aby s PHE 55 N 0.41 1.72 0.13 5.38 5.36 -0.22 -1.02 117.98 129.75 2aby s PHE 55 Ca -0.12 -0.92 0.10 0.00 -0.96 0.00 0.00 56.93 55.03 2aby s PHE 55 Cb -0.16 -1.35 -0.04 0.00 -0.34 0.00 0.00 43.02 41.12 2aby s PHE 55 CO 0.06 -0.57 -0.22 -0.65 -1.46 0.00 0.00 175.22 172.37 2aby s GLN 56 N 1.63 1.60 0.76 10.12 1.11 0.11 -1.07 119.66 133.92 2aby s GLN 56 Ca 0.05 -1.29 -0.03 0.00 0.01 0.00 0.00 55.36 54.09 2aby s GLN 56 Cb -0.13 -1.99 0.16 0.00 -1.01 0.00 0.00 33.01 30.03 2aby s GLN 56 CO -0.09 0.46 1.04 0.43 0.01 0.00 0.00 175.29 177.14 2aby n SER 57 N 0.77 1.08 0.04 5.90 7.64 -1.15 -1.06 113.62 126.83 2aby n SER 57 Ca -0.16 -1.99 -0.12 0.00 1.01 0.00 0.00 58.87 57.61 2aby n SER 57 Cb 0.53 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.94 2aby n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2aby h LYS 58 N 0.00 -0.15 0.01 1.43 1.63 -1.87 -3.34 116.57 114.29 2aby h LYS 58 Ca -0.34 0.01 -0.28 0.00 -0.85 0.00 0.00 60.65 59.19 2aby h LYS 58 Cb 1.19 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.81 2aby h LYS 58 CO 0.34 0.31 -1.58 -0.22 -3.45 0.00 0.00 179.45 174.85 2aby h LYS 59 N -0.68 0.03 -6.34 1.90 1.63 -1.89 -3.48 116.57 107.74 2aby h LYS 59 Ca -0.02 -0.05 -0.36 0.00 -0.85 0.00 0.00 60.65 59.37 2aby h LYS 59 Cb 0.52 0.02 -0.11 0.00 -0.60 0.00 0.00 32.23 32.06 2aby h LYS 59 CO 0.03 0.67 -0.57 1.47 -3.45 0.00 0.00 179.45 177.59 2aby n LEU 60 N -3.15 -0.50 -4.86 5.20 -0.00 -1.15 -4.87 117.00 107.66 2aby n LEU 60 Ca -0.14 -0.75 -0.31 0.00 -0.00 0.00 0.00 56.01 54.81 2aby n LEU 60 Cb 1.03 -0.93 -0.05 0.00 -0.00 0.00 0.00 43.42 43.47 2aby n LEU 60 CO 0.46 0.30 -0.20 -0.94 -0.00 0.00 0.00 177.39 177.01 2aby s SER 61 N -3.85 6.01 0.48 1.45 1.04 0.80 -4.79 113.70 114.84 2aby s SER 61 Ca 0.04 0.15 0.27 0.00 0.48 0.00 0.00 55.95 56.89 2aby s SER 61 Cb -0.02 -1.76 1.11 0.00 0.10 0.00 0.00 66.02 65.45 2aby s SER 61 CO 0.58 0.17 1.90 -0.33 0.98 0.00 0.00 173.24 176.54 2aby h GLU 62 N 3.13 0.00 -6.55 4.02 5.08 -1.90 -3.42 114.58 114.95 2aby h GLU 62 Ca -0.46 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.54 2aby h GLU 62 Cb 1.16 0.00 0.20 0.00 0.50 0.00 0.00 28.75 30.61 2aby h GLU 62 CO 0.72 0.14 -0.56 1.28 -1.00 0.00 0.00 179.01 179.59 2aby n LEU 63 N -3.32 -1.64 -2.83 1.33 4.77 -1.26 -4.52 117.00 109.53 2aby n LEU 63 Ca 0.00 -0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 55.56 2aby n LEU 63 Cb 0.37 -0.93 0.01 0.00 -2.33 0.00 0.00 43.42 40.54 2aby n LEU 63 CO 0.31 -3.43 -0.04 1.41 -1.33 0.00 0.00 177.39 174.31 2aby n HIS 64 N -4.74 -3.58 0.23 -1.77 8.25 -1.26 -4.83 115.22 107.51 2aby n HIS 64 Ca 0.05 1.47 0.10 0.00 -0.26 0.00 0.00 57.72 59.08 2aby n HIS 64 Cb 0.52 -4.07 0.52 0.00 1.12 0.00 0.00 29.99 28.08 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 2.18 0.00 0.00 -0.41 0.13 -1.98 -2.83 132.00 129.09 2aby h PRO 65 Ca -0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 2aby h PRO 65 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 2aby h PRO 65 CO 0.18 0.21 -0.76 0.93 -0.23 0.00 0.00 178.00 178.33 2aby h GLU 66 N 0.00 0.00 -0.00 0.86 5.08 -1.97 -3.18 114.58 115.37 2aby h GLU 66 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2aby h GLU 66 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2aby h GLU 66 CO 0.03 0.76 -0.78 0.93 -1.00 0.00 0.00 179.01 178.95 2aby h GLU 67 N 0.00 0.06 -0.03 2.33 4.39 -1.84 -3.14 114.58 116.35 2aby h GLU 67 Ca -0.01 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.67 2aby h GLU 67 Cb 1.39 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 30.00 2aby h GLU 67 CO 0.10 0.81 -0.36 0.00 -1.16 0.00 0.00 179.01 178.40 2aby h ARG 68 N 0.04 -0.48 -0.06 2.33 3.08 -1.51 0.72 114.38 118.51 2aby h ARG 68 Ca -0.02 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2aby h ARG 68 Cb 1.38 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.53 2aby h ARG 68 CO 0.11 -0.32 -0.21 1.57 -1.07 0.00 0.00 179.97 180.05 2aby h LYS 69 N -0.49 0.09 0.18 0.04 2.10 -1.68 -0.76 116.57 116.05 2aby h LYS 69 Ca 0.06 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.68 2aby h LYS 69 Cb 0.59 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2aby h LYS 69 CO -0.31 0.31 -0.09 -0.22 -2.00 0.00 0.00 179.45 177.15 2aby h LYS 70 N 0.09 -0.23 -0.19 0.07 1.63 -1.15 -1.33 116.57 115.46 2aby h LYS 70 Ca 0.02 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.70 2aby h LYS 70 Cb 0.43 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2aby h LYS 70 CO 0.03 -0.03 -0.42 -0.39 -3.45 0.00 0.00 179.45 175.19 2aby h VAL 71 N -0.40 1.31 0.36 2.00 -1.51 -0.77 0.03 116.25 117.27 2aby h VAL 71 Ca -0.02 -1.59 -0.02 0.00 -1.23 0.00 0.00 66.70 63.84 2aby h VAL 71 Cb 0.31 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2aby h VAL 71 CO 0.04 0.49 -0.17 0.03 -1.23 0.00 0.00 177.57 176.73 2aby h ARG 72 N 0.37 -0.46 -0.13 5.19 2.47 -1.03 0.35 114.38 121.14 2aby h ARG 72 Ca 0.03 0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 58.62 2aby h ARG 72 Cb 0.90 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.31 2aby h ARG 72 CO 0.08 -0.29 -0.59 1.05 0.56 0.00 0.00 179.97 180.78 2aby h GLU 73 N -0.51 0.41 0.27 0.04 -0.00 -1.25 -0.43 114.58 113.10 2aby h GLU 73 Ca -0.05 -0.28 -0.01 0.00 -0.00 0.00 0.00 59.36 59.02 2aby h GLU 73 Cb 0.39 0.04 0.00 0.00 -0.00 0.00 0.00 28.75 29.18 2aby h GLU 73 CO 0.08 0.88 -0.13 -0.22 -0.00 0.00 0.00 179.01 179.62 2aby h LYS 74 N 0.31 -0.34 -0.15 1.06 1.63 -0.84 0.16 116.57 118.39 2aby h LYS 74 Ca -0.00 0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.66 2aby h LYS 74 Cb 1.12 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 2aby h LYS 74 CO 0.10 -0.19 -0.59 0.27 -3.45 0.00 0.00 179.45 175.60 2aby h PHE 75 N -0.41 0.61 -0.04 1.91 -5.15 -0.96 -0.97 116.94 111.92 2aby h PHE 75 Ca -0.04 -0.23 -0.00 0.00 -0.20 0.00 0.00 57.97 57.51 2aby h PHE 75 Cb 0.31 -0.11 -0.00 0.00 0.22 0.00 0.00 35.95 36.37 2aby h PHE 75 CO -0.04 0.95 0.01 0.22 -2.00 0.00 0.00 178.31 177.45 2aby h ASP 76 N 0.36 0.05 -0.07 -0.68 3.58 -0.94 -0.69 116.42 118.03 2aby h ASP 76 Ca -0.00 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 2aby h ASP 76 Cb 1.13 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 2aby h ASP 76 CO 0.11 0.21 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.30 2aby h GLU 77 N -0.10 0.16 -0.83 0.28 5.08 -0.71 -0.76 114.58 117.69 2aby h GLU 77 Ca 0.01 -0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.41 2aby h GLU 77 Cb 0.17 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 2aby h GLU 77 CO -0.00 0.56 0.54 -0.97 -1.00 0.00 0.00 179.01 178.14 2aby h ASN 78 N -0.24 0.64 0.07 1.42 -1.24 -1.18 0.43 115.58 115.48 2aby h ASN 78 Ca 0.01 0.03 -0.28 0.00 0.71 0.00 0.00 56.30 56.77 2aby h ASN 78 Cb 0.52 -0.10 0.02 0.00 0.73 0.00 0.00 38.32 39.49 2aby h ASN 78 CO 0.01 0.36 -1.13 0.28 -1.29 0.00 0.00 177.43 175.66 2aby h SER 79 N 0.70 0.89 0.75 1.15 0.02 -1.04 -3.14 113.55 112.88 2aby h SER 79 Ca 0.40 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2aby h SER 79 Cb 0.58 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2aby h SER 79 CO -0.17 1.56 0.00 -2.11 -1.14 0.00 0.00 176.83 174.98 2aby n ARG 80 N -3.82 0.10 -1.42 3.45 -4.01 -0.30 -4.89 116.66 105.77 2aby n ARG 80 Ca -0.12 0.06 -0.44 0.00 -1.04 0.00 0.00 57.85 56.31 2aby n ARG 80 Cb 0.93 -1.50 -0.01 0.00 -3.04 0.00 0.00 32.46 28.84 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 -1.44 0.36 -0.80 2.89 2.81 0.14 -4.90 117.12 116.17 2aby n MET 81 Ca 0.08 0.13 -0.29 0.00 -1.81 0.00 0.00 57.70 55.80 2aby n MET 81 Cb 0.27 -1.26 0.20 0.00 -0.71 0.00 0.00 33.22 31.71 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 -1.24 0.19 0.40 0.03 -0.21 -1.26 -4.64 119.66 112.93 2aby s GLN 82 Ca 0.62 0.97 0.10 0.00 0.02 0.00 0.00 55.36 57.07 2aby s GLN 82 Cb -0.74 -1.67 0.90 0.00 1.00 0.00 0.00 33.01 32.50 2aby s GLN 82 CO 0.59 -3.02 1.98 -0.92 -2.12 0.00 0.00 175.29 171.80 2aby h TYR 83 N -2.12 0.57 0.08 0.91 5.03 -1.97 0.88 116.97 120.35 2aby h TYR 83 Ca -0.54 0.01 0.01 0.00 2.58 0.00 0.00 58.73 60.80 2aby h TYR 83 Cb 1.31 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.38 2aby h TYR 83 CO 0.36 0.29 -0.11 0.77 -1.32 0.00 0.00 178.16 178.15 2aby h SER 84 N 0.55 -0.31 0.36 -2.11 0.02 -1.98 0.34 113.55 110.42 2aby h SER 84 Ca 0.27 0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 61.10 2aby h SER 84 Cb 0.36 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2aby h SER 84 CO -0.08 -0.17 -0.65 -0.08 -1.14 0.00 0.00 176.83 174.71 2aby h GLU 85 N -0.23 0.27 -0.41 3.45 4.22 -1.77 -0.04 114.58 120.07 2aby h GLU 85 Ca 0.02 -0.20 -0.11 0.00 0.08 0.00 0.00 59.36 59.15 2aby h GLU 85 Cb 0.24 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2aby h GLU 85 CO -0.06 0.82 -0.18 1.25 -2.18 0.00 0.00 179.01 178.67 2aby h LEU 86 N 0.19 0.79 0.00 1.64 7.12 -0.52 -0.84 115.31 123.69 2aby h LEU 86 Ca -0.01 -0.27 -0.23 0.00 0.13 0.00 0.00 57.88 57.50 2aby h LEU 86 Cb 1.18 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 41.05 2aby h LEU 86 CO 0.10 0.96 -1.23 0.24 -0.13 0.00 0.00 178.44 178.38 2aby h MET 87 N 0.69 0.00 -0.01 1.25 2.86 -0.27 -3.29 114.93 116.16 2aby h MET 87 Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2aby h MET 87 Cb 0.68 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 2aby h MET 87 CO 0.05 0.81 -0.01 1.15 1.06 0.00 0.00 176.91 179.97 2aby h THR 88 N 0.00 1.40 0.00 2.22 2.02 -0.88 0.34 112.91 118.01 2aby h THR 88 Ca -0.10 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.88 2aby h THR 88 Cb 1.84 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 70.44 2aby h THR 88 CO 0.11 0.31 0.00 1.17 0.37 0.00 0.00 175.52 177.48 2aby n LYS 89 N -4.83 0.02 -0.11 6.66 3.00 -0.33 0.17 118.16 122.74 2aby n LYS 89 Ca -0.08 0.44 -0.19 0.00 -0.00 0.00 0.00 58.31 58.48 2aby n LYS 89 Cb 0.26 -1.55 -0.09 0.00 0.00 0.00 0.00 35.03 33.65 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 -1.59 0.00 0.96 5.64 4.19 -1.09 -3.51 117.16 121.77 2aby n TYR 90 Ca 0.01 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.35 2aby n TYR 90 Cb 0.06 -0.81 0.36 0.00 0.49 0.00 0.00 39.34 39.44 2aby n TYR 90 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2aby n HIS 91 N -3.50 0.06 -0.12 2.98 -0.00 0.12 -2.88 115.22 111.87 2aby n HIS 91 Ca -0.40 0.02 -0.18 0.00 0.46 0.00 0.00 57.72 57.62 2aby n HIS 91 Cb 0.86 -0.37 -0.11 0.00 -0.12 0.00 0.00 29.99 30.25 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 -1.56 2.06 -0.01 0.26 2.03 0.45 -4.34 116.55 115.44 2aby n ASP 92 Ca 0.06 -0.12 0.15 0.00 0.52 0.00 0.00 54.79 55.39 2aby n ASP 92 Cb 0.35 -0.40 0.70 0.00 -0.72 0.00 0.00 41.12 41.04 2aby n ASP 92 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2aby n LEU 93 N -3.25 0.03 0.21 -2.67 4.77 -1.23 -3.46 117.00 111.40 2aby n LEU 93 Ca -0.44 0.33 0.14 0.00 -0.03 0.00 0.00 56.01 56.01 2aby n LEU 93 Cb 0.97 -0.35 0.75 0.00 -2.33 0.00 0.00 43.42 42.46 2aby n LEU 93 CO 0.24 0.01 0.93 0.07 -1.33 0.00 0.00 177.39 177.31 2aby h LYS 94 N 0.03 0.00 -0.66 3.23 5.09 -1.60 -2.81 116.57 119.84 2aby h LYS 94 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 60.65 60.88 2aby h LYS 94 Cb 0.36 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 32.58 2aby h LYS 94 CO 0.00 0.00 0.06 -0.22 -2.09 0.00 0.00 179.45 177.20 2aby h LYS 95 N 0.00 0.16 -0.15 0.07 3.11 -1.85 -1.85 116.57 116.07 2aby h LYS 95 Ca 0.00 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.75 2aby h LYS 95 Cb 0.05 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.20 2aby h LYS 95 CO 0.00 0.11 -0.32 1.04 -2.81 0.00 0.00 179.45 177.47 2aby n GLN 96 N -5.24 1.69 0.00 1.90 6.02 -1.07 -4.99 117.38 115.69 2aby n GLN 96 Ca 0.11 -3.26 0.00 0.00 -0.01 0.00 0.00 57.00 53.84 2aby n GLN 96 Cb 0.40 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.95 2aby n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aby n GLY 97 N -1.12 3.24 0.00 1.08 0.00 -0.69 -5.03 105.19 102.66 2aby n GLY 97 Ca 0.25 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2aby n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aby n LYS 98 N 0.00 0.00 -4.03 1.61 4.01 -1.25 -3.68 118.16 114.81 2aby n LYS 98 Ca 0.00 0.29 -0.10 0.00 -0.51 0.00 0.00 58.31 57.98 2aby n LYS 98 Cb 0.00 -0.78 -0.05 0.00 -0.51 0.00 0.00 35.03 33.69 2aby n LYS 98 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 2aby s ILE 99 N -0.58 0.00 -0.03 -0.18 -4.36 -1.26 -3.92 121.20 110.87 2aby s ILE 99 Ca 0.00 -1.49 0.06 0.00 -0.26 0.00 0.00 60.65 58.96 2aby s ILE 99 Cb 0.00 -2.32 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 2aby s ILE 99 CO 0.00 0.00 -0.21 -0.54 0.24 0.00 0.00 174.94 174.43 2aby s LYS 100 N -3.84 2.27 -0.75 0.37 -0.14 -1.26 -4.97 119.74 111.42 2aby s LYS 100 Ca 0.25 -0.83 -0.10 0.00 -1.36 0.00 0.00 55.97 53.93 2aby s LYS 100 Cb 0.00 -2.19 0.20 0.00 -1.68 0.00 0.00 37.83 34.16 2aby s LYS 100 CO 0.11 0.59 0.65 0.34 -0.76 0.00 0.00 175.35 176.28 2aby s ASP 101 N -0.69 6.25 0.21 2.83 2.15 -1.26 -4.76 116.67 121.39 2aby s ASP 101 Ca 0.11 -2.71 0.00 0.00 0.43 0.00 0.00 52.55 50.38 2aby s ASP 101 Cb -0.10 -2.09 -0.04 0.00 -0.30 0.00 0.00 42.92 40.38 2aby s ASP 101 CO -0.00 -0.52 0.39 -0.13 -0.17 0.00 0.00 175.17 174.74 2aby s ARG 102 N 0.15 3.50 0.29 4.34 0.52 -1.26 -5.07 118.95 121.41 2aby s ARG 102 Ca 0.17 -0.42 -0.29 0.00 -0.52 0.00 0.00 55.73 54.67 2aby s ARG 102 Cb -0.14 -2.85 -0.10 0.00 0.52 0.00 0.00 34.95 32.38 2aby s ARG 102 CO -0.07 0.40 1.24 -1.25 0.02 0.00 0.00 175.30 175.65 2aby s PRO 103 N -3.46 4.45 0.09 3.54 0.04 -1.26 -5.01 135.00 133.40 2aby s PRO 103 Ca 0.38 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 63.22 2aby s PRO 103 Cb -0.11 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 2aby s PRO 103 CO 0.30 -0.08 0.79 0.54 0.04 0.00 0.00 177.00 178.59 2aby s VAL 104 N -0.87 4.58 -0.01 -0.36 0.11 -1.26 -4.74 120.40 117.86 2aby s VAL 104 Ca 0.49 1.71 -0.02 0.00 -2.93 0.00 0.00 61.98 61.23 2aby s VAL 104 Cb -0.37 -4.15 -0.04 0.00 -1.53 0.00 0.00 36.38 30.29 2aby s VAL 104 CO 0.46 0.41 0.16 -0.75 -3.33 0.00 0.00 175.10 172.05 2aby s LYS 105 N -0.42 3.35 0.12 1.54 2.47 -0.91 -4.89 119.74 121.00 2aby s LYS 105 Ca 0.39 -0.36 -0.26 0.00 -1.56 0.00 0.00 55.97 54.17 2aby s LYS 105 Cb -0.22 -3.04 -0.07 0.00 -1.46 0.00 0.00 37.83 33.04 2aby s LYS 105 CO 0.25 0.67 0.80 -1.21 0.16 0.00 0.00 175.35 176.02 2aby s GLU 106 N -1.92 4.57 -0.04 4.03 2.02 -1.26 0.43 118.70 126.53 2aby s GLU 106 Ca 0.27 1.17 0.01 0.00 0.02 0.00 0.00 54.97 56.44 2aby s GLU 106 Cb -0.12 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 2aby s GLU 106 CO 0.18 0.43 -0.04 0.08 0.02 0.00 0.00 175.26 175.93 2aby s VAL 107 N -0.63 3.91 0.33 2.63 1.01 -0.17 -4.87 120.40 122.61 2aby s VAL 107 Ca 0.38 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2aby s VAL 107 Cb -0.22 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2aby s VAL 107 CO 0.26 0.50 0.04 1.41 0.00 0.00 0.00 175.10 177.31 2aby n HIS 108 N 1.85 0.49 -0.83 5.22 8.25 -1.26 -3.96 115.22 125.00 2aby n HIS 108 Ca -0.17 -1.58 -0.07 0.00 -0.26 0.00 0.00 57.72 55.65 2aby n HIS 108 Cb 0.53 -0.23 0.05 0.00 1.12 0.00 0.00 29.99 31.47 2aby n HIS 108 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2aby n GLU 109 N -0.89 -1.06 -0.04 -0.41 4.71 -1.26 -4.68 120.64 117.02 2aby n GLU 109 Ca -0.12 -0.41 0.01 0.00 -0.01 0.00 0.00 57.16 56.63 2aby n GLU 109 Cb 0.41 -0.34 -0.00 0.00 -1.01 0.00 0.00 31.44 30.50 2aby n GLU 109 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2aby n GLU 110 N -2.02 -0.08 -1.84 3.49 1.02 -1.26 -4.40 120.64 115.54 2aby n GLU 110 Ca 0.03 0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 57.02 2aby n GLU 110 Cb 0.13 -0.10 -0.06 0.00 -0.02 0.00 0.00 31.44 31.39 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 -0.08 1.52 -0.03 -0.32 1.51 -1.26 -4.67 117.35 114.02 2aby s TYR 111 Ca 0.00 1.24 -0.03 0.00 -1.01 0.00 0.00 57.07 57.26 2aby s TYR 111 Cb 0.00 -3.77 -0.01 0.00 -0.11 0.00 0.00 41.96 38.07 2aby s TYR 111 CO 0.00 -1.61 -0.07 -3.47 -1.11 0.00 0.00 175.55 169.30 2aby n ASP 112 N 16.11 0.39 -2.05 2.29 -0.08 -1.26 -5.06 116.55 126.90 2aby n ASP 112 Ca 0.43 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.78 2aby n ASP 112 Cb 0.45 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.42 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2aby n LEU 113 N -2.89 0.00 0.13 -2.67 4.32 -1.26 -4.95 117.00 109.68 2aby n LEU 113 Ca -0.03 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.02 2aby n LEU 113 Cb 0.10 0.00 0.53 0.00 -1.62 0.00 0.00 43.42 42.42 2aby n LEU 113 CO 0.04 -0.38 1.10 -0.50 -1.22 0.00 0.00 177.39 176.43 2aby h TRP 114 N -0.56 0.26 -5.47 -1.77 -0.00 -1.99 -3.47 115.95 102.94 2aby h TRP 114 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.89 58.64 2aby h TRP 114 Cb 0.00 -0.09 0.20 0.00 -0.00 0.00 0.00 29.16 29.27 2aby h TRP 114 CO 0.00 0.17 -0.86 0.39 -0.00 0.00 0.00 178.44 178.15 2aby n GLU 115 N -4.50 -2.48 0.01 0.49 1.02 -1.26 -4.78 120.64 109.14 2aby n GLU 115 Ca 0.00 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 2aby n GLU 115 Cb 0.08 -5.81 0.00 0.00 -0.02 0.00 0.00 31.44 25.69 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 -3.21 -0.11 0.18 1.62 8.00 -1.26 -4.91 116.55 116.85 2aby n ASP 116 Ca -0.08 0.46 -0.11 0.00 0.71 0.00 0.00 54.79 55.77 2aby n ASP 116 Cb 0.62 0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 42.20 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 -0.49 0.00 -0.24 0.13 -1.94 -2.48 132.00 126.99 2aby h PRO 117 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2aby h PRO 117 Cb 0.00 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 2aby h PRO 117 CO 0.00 -0.19 -0.02 0.44 -0.23 0.00 0.00 178.00 178.00 2aby n ILE 118 N -5.13 0.45 0.07 -3.56 -0.00 -1.26 -3.33 119.36 106.60 2aby n ILE 118 Ca -0.09 -0.22 -0.21 0.00 -0.00 0.00 0.00 62.75 62.23 2aby n ILE 118 Cb 0.27 -0.54 -0.13 0.00 -0.00 0.00 0.00 39.64 39.24 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 0.94 -0.14 4.28 7.01 -1.91 -3.19 115.95 122.94 2aby h TRP 119 Ca 0.00 -0.58 0.00 0.00 2.11 0.00 0.00 58.89 60.42 2aby h TRP 119 Cb 0.68 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.66 2aby h TRP 119 CO 0.00 1.42 0.00 1.04 -2.79 0.00 0.00 178.44 178.11 2aby n GLN 120 N -3.88 1.48 -1.36 2.65 6.02 -0.93 -4.96 117.38 116.39 2aby n GLN 120 Ca -0.13 -0.73 0.00 0.00 -0.01 0.00 0.00 57.00 56.13 2aby n GLN 120 Cb 0.92 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.89 2aby n GLN 120 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2aby n TYR 121 N -0.01 -3.74 0.00 1.08 4.01 -1.21 -5.08 117.16 112.21 2aby n TYR 121 Ca 0.13 2.02 0.00 0.00 -0.16 0.00 0.00 57.90 59.89 2aby n TYR 121 Cb 0.22 -3.19 0.00 0.00 -0.31 0.00 0.00 39.34 36.06 2aby n TYR 121 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84