#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 2.75 -0.07 2.12 -0.21 -1.26 -4.76 119.66 118.23 2aby s GLN 2 Ca 0.00 -1.16 -0.04 0.00 0.02 0.00 0.00 55.36 54.19 2aby s GLN 2 Cb 0.00 -2.45 -0.01 0.00 1.00 0.00 0.00 33.01 31.55 2aby s GLN 2 CO 0.00 0.39 -0.07 -0.22 -2.12 0.00 0.00 175.29 173.27 2aby h LYS 3 N 1.61 0.00 0.00 2.91 3.64 -1.98 -3.50 116.57 119.25 2aby h LYS 3 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2aby h LYS 3 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2aby h LYS 3 CO 0.61 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.20 2aby n GLY 4 N 1.72 1.20 3.10 5.01 0.00 -1.26 -4.91 105.19 110.05 2aby n GLY 4 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2aby n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aby s LEU 5 N 0.00 2.48 -0.09 0.99 2.01 -1.26 -3.68 118.68 119.13 2aby s LEU 5 Ca 0.00 -0.98 0.04 0.00 0.01 0.00 0.00 54.13 53.21 2aby s LEU 5 Cb 0.00 0.14 -0.00 0.00 0.01 0.00 0.00 46.19 46.33 2aby s LEU 5 CO 0.00 -0.56 -0.24 -1.83 1.01 0.00 0.00 176.35 174.74 2aby s GLU 6 N -3.78 2.93 -0.01 1.70 -1.05 -1.26 -3.60 118.70 113.64 2aby s GLU 6 Ca 0.07 -0.88 -0.04 0.00 -0.15 0.00 0.00 54.97 53.97 2aby s GLU 6 Cb 0.07 -2.28 -0.00 0.00 -0.44 0.00 0.00 34.13 31.47 2aby s GLU 6 CO -0.08 0.24 0.08 0.96 0.95 0.00 0.00 175.26 177.41 2aby s ILE 7 N 0.20 0.06 0.05 1.83 -0.00 -0.44 -5.03 121.20 117.88 2aby s ILE 7 Ca -0.15 -0.53 0.07 0.00 -0.00 0.00 0.00 60.65 60.05 2aby s ILE 7 Cb -0.17 -0.30 -0.03 0.00 -0.00 0.00 0.00 42.46 41.97 2aby s ILE 7 CO 0.07 -0.29 -0.20 0.00 -0.00 0.00 0.00 174.94 174.52 2aby s ALA 8 N -0.95 1.72 -0.01 2.27 0.00 -1.26 -1.41 121.76 122.12 2aby s ALA 8 Ca -0.10 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.81 2aby s ALA 8 Cb -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2aby s ALA 8 CO 0.00 0.38 -0.06 0.12 0.00 0.00 0.00 175.76 176.20 2aby s PHE 9 N -0.84 0.65 0.36 0.00 5.36 -0.43 -4.73 117.98 118.36 2aby s PHE 9 Ca 0.07 -0.14 0.01 0.00 -0.96 0.00 0.00 56.93 55.91 2aby s PHE 9 Cb -0.09 -0.46 -0.03 0.00 -0.34 0.00 0.00 43.02 42.10 2aby s PHE 9 CO 0.02 -0.05 0.56 1.14 -1.46 0.00 0.00 175.22 175.43 2aby s GLN 10 N 0.08 3.40 -0.05 10.12 -2.07 -1.26 -0.25 119.66 129.63 2aby s GLN 10 Ca -0.01 -0.39 -0.31 0.00 -1.82 0.00 0.00 55.36 52.84 2aby s GLN 10 Cb -0.05 -2.65 0.11 0.00 -1.09 0.00 0.00 33.01 29.32 2aby s GLN 10 CO -0.00 0.08 1.05 -0.08 -1.32 0.00 0.00 175.29 175.01 2aby s THR 11 N -2.35 0.00 0.36 3.63 -1.32 0.14 -4.92 115.64 111.19 2aby s THR 11 Ca 0.41 -0.11 -0.17 0.00 -1.21 0.00 0.00 61.69 60.62 2aby s THR 11 Cb -0.10 -1.23 0.05 0.00 -1.51 0.00 0.00 72.50 69.72 2aby s THR 11 CO 0.36 0.00 0.78 0.27 -2.21 0.00 0.00 174.62 173.82 2aby s ILE 12 N -2.83 0.00 -0.60 5.08 -5.25 -1.26 -0.42 121.20 115.92 2aby s ILE 12 Ca 0.08 -0.99 -0.29 0.00 -0.99 0.00 0.00 60.65 58.46 2aby s ILE 12 Cb -0.00 -2.72 -0.12 0.00 2.95 0.00 0.00 42.46 42.57 2aby s ILE 12 CO -0.06 0.00 2.45 -3.20 -1.79 0.00 0.00 174.94 172.35 2aby n ASN 13 N -1.23 1.76 0.00 4.36 5.15 -1.26 -4.36 115.26 119.68 2aby n ASN 13 Ca -0.07 -0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 2aby n ASN 13 Cb 0.60 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 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 6.22 -0.69 0.01 8.20 0.00 -1.26 -5.00 105.19 112.67 2aby n GLY 14 Ca 0.45 0.66 0.00 0.00 0.00 0.00 0.00 46.02 47.13 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 -0.12 0.99 4.32 -1.26 -4.62 117.00 116.31 2aby n LEU 15 Ca 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 56.01 56.25 2aby n LEU 15 Cb 0.00 0.04 0.71 0.00 -1.62 0.00 0.00 43.42 42.55 2aby n LEU 15 CO 0.00 0.04 1.24 0.44 -1.22 0.00 0.00 177.39 177.89 2aby h ASP 16 N 0.00 0.00 -0.72 -1.43 3.32 -1.95 -0.87 116.42 114.77 2aby h ASP 16 Ca -0.04 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.16 2aby h ASP 16 Cb 0.67 -0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.12 2aby h ASP 16 CO 0.00 0.00 0.19 1.05 -1.72 0.00 0.00 179.24 178.77 2aby h GLU 17 N 0.00 0.29 -0.95 3.56 4.11 -1.82 0.74 114.58 120.51 2aby h GLU 17 Ca 0.37 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.82 2aby h GLU 17 Cb 1.49 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.62 2aby h GLU 17 CO -0.00 0.19 0.62 0.77 0.07 0.00 0.00 179.01 180.66 2aby h SER 18 N 0.30 1.04 -0.48 3.06 0.02 -1.49 -1.29 113.55 114.71 2aby h SER 18 Ca 0.40 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.25 2aby h SER 18 Cb 0.65 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2aby h SER 18 CO -0.47 0.71 -0.00 0.25 -1.14 0.00 0.00 176.83 176.18 2aby h LEU 19 N 1.21 0.88 0.11 5.07 5.85 -1.00 0.87 115.31 128.30 2aby h LEU 19 Ca 0.38 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2aby h LEU 19 Cb -0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.80 2aby h LEU 19 CO -0.12 0.94 -0.05 0.58 -0.34 0.00 0.00 178.44 179.45 2aby h VAL 20 N 0.84 1.02 0.00 1.05 2.07 -0.43 0.28 116.25 121.09 2aby h VAL 20 Ca 0.16 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 2aby h VAL 20 Cb 0.50 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2aby h VAL 20 CO 0.02 0.13 -0.36 0.06 0.02 0.00 0.00 177.57 177.45 2aby h GLN 21 N -0.39 0.00 0.06 1.57 3.07 -1.22 -0.86 115.11 117.34 2aby h GLN 21 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 2aby h GLN 21 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 2aby h GLN 21 CO 0.03 0.36 -0.03 0.00 0.09 0.00 0.00 178.83 179.27 2aby h ALA 22 N 1.64 -0.09 -0.49 0.06 0.00 -0.66 -2.83 119.26 116.89 2aby h ALA 22 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2aby h ALA 22 Cb 0.68 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2aby h ALA 22 CO 0.05 -0.16 0.16 1.37 0.00 0.00 0.00 179.25 180.66 2aby h LEU 23 N -0.86 0.66 -0.54 0.00 8.10 -0.43 -1.32 115.31 120.91 2aby h LEU 23 Ca -0.01 -0.09 -0.03 0.00 0.11 0.00 0.00 57.88 57.86 2aby h LEU 23 Cb 0.63 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.65 2aby h LEU 23 CO 0.01 0.63 0.22 0.00 -4.11 0.00 0.00 178.44 175.19 2aby h ALA 24 N 1.47 0.71 -0.18 0.17 0.00 -1.24 -1.12 119.26 119.07 2aby h ALA 24 Ca 0.17 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2aby h ALA 24 Cb 0.20 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2aby h ALA 24 CO -0.01 0.31 -0.58 0.78 0.00 0.00 0.00 179.25 179.76 2aby h GLY 25 N 0.74 0.62 0.71 0.00 0.00 -1.21 -1.56 103.07 102.38 2aby h GLY 25 Ca 0.18 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 2aby h GLY 25 CO -0.02 0.66 -0.07 -2.08 0.00 0.00 0.00 176.54 175.04 2aby h VAL 26 N 0.43 0.99 -0.45 4.60 2.07 -1.08 0.27 116.25 123.07 2aby h VAL 26 Ca 0.00 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 2aby h VAL 26 Cb 1.13 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 2aby h VAL 26 CO 0.11 0.14 0.14 0.00 0.02 0.00 0.00 177.57 177.99 2aby h THR 27 N -0.48 1.22 -0.45 2.57 1.03 -1.27 0.23 112.91 115.76 2aby h THR 27 Ca -0.02 -0.73 -0.05 0.00 -0.01 0.00 0.00 66.41 65.60 2aby h THR 27 Cb 0.38 0.85 -0.02 0.00 -1.07 0.00 0.00 68.15 68.28 2aby h THR 27 CO 0.03 0.26 0.06 0.00 -0.01 0.00 0.00 175.52 175.86 2aby h ALA 28 N 1.00 1.26 -0.01 0.00 0.00 -1.29 0.15 119.26 120.36 2aby h ALA 28 Ca 0.15 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 2aby h ALA 28 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2aby h ALA 28 CO -0.01 0.51 -0.80 1.03 0.00 0.00 0.00 179.25 179.98 2aby h SER 29 N 0.68 0.23 1.48 0.00 0.87 -0.66 -3.10 113.55 113.05 2aby h SER 29 Ca 0.14 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2aby h SER 29 Cb 0.33 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2aby h SER 29 CO 0.01 0.94 -0.26 0.44 -0.53 0.00 0.00 176.83 177.43 2aby h ASP 30 N 0.11 0.00 -2.94 6.23 3.32 -0.57 -3.38 116.42 119.20 2aby h ASP 30 Ca -0.03 -0.04 -0.69 0.00 0.02 0.00 0.00 57.03 56.29 2aby h ASP 30 Cb 1.40 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.59 2aby h ASP 30 CO 0.12 0.02 -0.09 0.49 -1.72 0.00 0.00 179.24 178.06 2aby n PHE 31 N -2.58 3.67 0.34 4.55 3.01 0.50 -4.86 117.46 122.08 2aby n PHE 31 Ca 0.04 -3.88 0.15 0.00 1.01 0.00 0.00 57.45 54.77 2aby n PHE 31 Cb 0.48 -0.98 0.60 0.00 -0.01 0.00 0.00 39.48 39.58 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 5.38 0.00 0.00 -1.08 0.13 -1.75 -2.81 132.00 131.86 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 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2aby h PRO 32 CO 0.93 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.92 2aby h ASP 33 N 0.00 0.00 -0.70 1.44 1.82 -1.89 -3.45 116.42 113.64 2aby h ASP 33 Ca 0.00 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.34 2aby h ASP 33 Cb 0.42 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 40.31 2aby h ASP 33 CO 0.00 0.00 -0.27 0.18 -1.61 0.00 0.00 179.24 177.54 2aby n LEU 34 N -2.44 -0.88 -0.33 2.28 4.77 -1.06 -4.82 117.00 114.52 2aby n LEU 34 Ca -0.00 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 2aby n LEU 34 Cb 0.12 -2.55 0.58 0.00 -2.33 0.00 0.00 43.42 39.24 2aby n LEU 34 CO 0.16 -0.96 0.90 0.47 -1.33 0.00 0.00 177.39 176.62 2aby n ASP 35 N -1.00 1.03 -4.69 -1.43 8.00 -1.26 -4.86 116.55 112.34 2aby n ASP 35 Ca -0.15 -1.43 -0.42 0.00 0.71 0.00 0.00 54.79 53.50 2aby n ASP 35 Cb 0.58 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.95 3.92 -0.85 0.53 2.07 -1.26 -4.15 121.20 119.50 2aby s ILE 36 Ca 0.38 1.27 0.01 0.00 -1.41 0.00 0.00 60.65 60.90 2aby s ILE 36 Cb 0.19 -3.82 0.28 0.00 0.13 0.00 0.00 42.46 39.25 2aby s ILE 36 CO 0.31 -0.01 1.14 0.29 -1.91 0.00 0.00 174.94 174.76 2aby n LYS 37 N 5.37 3.58 -4.57 3.50 4.76 0.28 -5.01 118.16 126.06 2aby n LYS 37 Ca 0.12 -4.64 -0.26 0.00 -2.87 0.00 0.00 58.31 50.67 2aby n LYS 37 Cb 0.45 -2.38 -0.11 0.00 -1.84 0.00 0.00 35.03 31.15 2aby n LYS 37 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2aby s TYR 38 N -2.77 2.33 0.00 2.13 1.13 -1.26 -0.99 117.35 117.92 2aby s TYR 38 Ca 0.36 -0.77 0.00 0.00 -1.41 0.00 0.00 57.07 55.26 2aby s TYR 38 Cb 0.11 -1.62 0.00 0.00 -1.10 0.00 0.00 41.96 39.35 2aby s TYR 38 CO 0.03 0.31 0.00 -1.71 -2.51 0.00 0.00 175.55 171.67 2aby n ASN 39 N -0.90 0.00 -4.04 -0.18 5.15 -0.16 -4.98 115.26 110.15 2aby n ASN 39 Ca -0.04 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.70 2aby n ASN 39 Cb 0.67 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.76 2aby n ASN 39 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2aby s ILE 40 N -2.00 1.12 0.05 -1.44 -0.00 -1.26 -1.52 121.20 116.15 2aby s ILE 40 Ca 0.00 -0.51 0.05 0.00 -0.00 0.00 0.00 60.65 60.19 2aby s ILE 40 Cb 0.00 -1.00 -0.03 0.00 -0.00 0.00 0.00 42.46 41.44 2aby s ILE 40 CO 0.00 0.34 -0.14 0.72 -0.00 0.00 0.00 174.94 175.86 2aby s PHE 41 N 0.39 1.22 -0.28 1.37 -0.12 -0.66 -1.83 117.98 118.07 2aby s PHE 41 Ca -0.09 -0.40 -0.08 0.00 -0.05 0.00 0.00 56.93 56.31 2aby s PHE 41 Cb -0.13 -0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 41.54 2aby s PHE 41 CO 0.02 0.05 0.11 -1.17 -0.05 0.00 0.00 175.22 174.18 2aby s LEU 42 N -1.42 3.78 -0.09 -1.99 1.98 0.15 -1.81 118.68 119.28 2aby s LEU 42 Ca -0.00 -0.40 -0.06 0.00 -2.89 0.00 0.00 54.13 50.77 2aby s LEU 42 Cb -0.09 -1.95 -0.04 0.00 0.66 0.00 0.00 46.19 44.77 2aby s LEU 42 CO 0.02 -0.12 0.16 0.68 -1.89 0.00 0.00 176.35 175.19 2aby s VAL 43 N 1.60 5.48 -0.09 1.68 -7.23 -0.18 -1.30 120.40 120.35 2aby s VAL 43 Ca 0.05 0.15 -0.01 0.00 -1.81 0.00 0.00 61.98 60.36 2aby s VAL 43 Cb -0.16 -3.44 0.03 0.00 0.56 0.00 0.00 36.38 33.36 2aby s VAL 43 CO 0.05 0.55 -0.03 -0.62 -0.31 0.00 0.00 175.10 174.74 2aby s ASP 44 N -1.23 1.85 -0.16 4.85 2.15 -1.24 -0.13 116.67 122.76 2aby s ASP 44 Ca 0.18 -0.18 -0.17 0.00 0.43 0.00 0.00 52.55 52.81 2aby s ASP 44 Cb -0.12 -0.62 0.04 0.00 -0.30 0.00 0.00 42.92 41.92 2aby s ASP 44 CO 0.08 -0.16 0.47 -0.22 -0.17 0.00 0.00 175.17 175.16 2aby s LEU 45 N 1.85 0.22 -1.58 -1.34 0.20 0.28 -4.84 118.68 113.47 2aby s LEU 45 Ca 0.05 0.86 0.00 0.00 0.69 0.00 0.00 54.13 55.73 2aby s LEU 45 Cb -0.12 1.63 0.00 0.00 -0.43 0.00 0.00 46.19 47.26 2aby s LEU 45 CO -0.07 -0.21 0.00 -1.22 -0.29 0.00 0.00 176.35 174.56 2aby n TYR 46 N 2.59 -0.57 0.00 5.38 4.01 -1.26 -1.50 117.16 125.80 2aby n TYR 46 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2aby n TYR 46 Cb 0.57 -3.31 0.00 0.00 -0.31 0.00 0.00 39.34 36.29 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 -0.97 2.74 3.63 2.72 0.00 -1.26 -4.99 105.19 107.06 2aby n GLY 47 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2aby n GLY 47 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2aby s GLN 48 N -0.12 3.75 -0.09 1.61 -2.07 -0.56 -5.10 119.66 117.07 2aby s GLN 48 Ca 0.00 -0.37 0.03 0.00 -1.82 0.00 0.00 55.36 53.20 2aby s GLN 48 Cb 0.00 -3.09 -0.01 0.00 -1.09 0.00 0.00 33.01 28.81 2aby s GLN 48 CO 0.00 0.36 -0.19 -1.59 -1.32 0.00 0.00 175.29 172.55 2aby s LYS 49 N 0.10 2.92 0.16 9.60 0.00 -1.26 -0.56 119.74 130.71 2aby s LYS 49 Ca 0.04 -0.80 0.07 0.00 0.00 0.00 0.00 55.97 55.28 2aby s LYS 49 Cb -0.12 -2.38 -0.04 0.00 0.00 0.00 0.00 37.83 35.29 2aby s LYS 49 CO 0.01 0.32 -0.15 0.71 0.00 0.00 0.00 175.35 176.24 2aby s TYR 50 N 0.03 1.63 -0.18 1.78 1.51 0.82 -4.95 117.35 117.99 2aby s TYR 50 Ca -0.07 -0.54 -0.08 0.00 -1.01 0.00 0.00 57.07 55.36 2aby s TYR 50 Cb -0.15 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 2aby s TYR 50 CO 0.05 0.27 0.09 -0.06 -1.11 0.00 0.00 175.55 174.80 2aby s PHE 51 N -2.45 3.34 -0.02 2.71 0.40 0.44 -1.01 117.98 121.38 2aby s PHE 51 Ca 0.16 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.73 2aby s PHE 51 Cb -0.03 -2.10 0.00 0.00 0.51 0.00 0.00 43.02 41.40 2aby s PHE 51 CO 0.05 0.26 -0.09 1.03 0.70 0.00 0.00 175.22 177.17 2aby s ARG 52 N 0.24 0.96 -0.09 0.44 0.52 -0.75 0.28 118.95 120.53 2aby s ARG 52 Ca 0.06 -0.33 0.01 0.00 -0.52 0.00 0.00 55.73 54.95 2aby s ARG 52 Cb -0.12 -0.90 -0.02 0.00 0.52 0.00 0.00 34.95 34.43 2aby s ARG 52 CO -0.01 0.14 -0.11 0.96 0.02 0.00 0.00 175.30 176.31 2aby s ILE 53 N 0.10 3.34 -0.09 1.52 -5.25 0.65 -1.65 121.20 119.82 2aby s ILE 53 Ca -0.02 -0.59 0.04 0.00 -0.99 0.00 0.00 60.65 59.09 2aby s ILE 53 Cb -0.08 -2.37 -0.00 0.00 2.95 0.00 0.00 42.46 42.96 2aby s ILE 53 CO 0.00 0.56 -0.24 -0.22 -1.79 0.00 0.00 174.94 173.26 2aby s LEU 54 N -0.27 2.07 -0.13 0.37 0.20 -0.57 -1.31 118.68 119.04 2aby s LEU 54 Ca 0.03 -0.54 -0.00 0.00 0.69 0.00 0.00 54.13 54.30 2aby s LEU 54 Cb -0.13 -1.38 0.02 0.00 -0.43 0.00 0.00 46.19 44.27 2aby s LEU 54 CO 0.03 0.17 -0.10 0.12 -0.29 0.00 0.00 176.35 176.28 2aby s PHE 55 N 0.25 1.75 0.07 5.38 5.36 -0.50 -0.99 117.98 129.30 2aby s PHE 55 Ca -0.16 -0.93 0.03 0.00 -0.96 0.00 0.00 56.93 54.91 2aby s PHE 55 Cb -0.17 -1.37 -0.03 0.00 -0.34 0.00 0.00 43.02 41.10 2aby s PHE 55 CO 0.08 -0.58 -0.09 -1.14 -1.46 0.00 0.00 175.22 172.03 2aby s GLN 56 N 1.62 0.69 0.30 10.12 0.74 -0.16 -1.33 119.66 131.64 2aby s GLN 56 Ca 0.05 -0.95 0.09 0.00 0.05 0.00 0.00 55.36 54.60 2aby s GLN 56 Cb -0.13 -0.42 -0.05 0.00 1.10 0.00 0.00 33.01 33.52 2aby s GLN 56 CO -0.09 0.07 -0.00 0.45 -0.55 0.00 0.00 175.29 175.17 2aby s SER 57 N -1.99 4.32 0.04 6.67 0.15 -1.24 -0.56 113.70 121.10 2aby s SER 57 Ca -0.02 -0.83 -0.04 0.00 0.70 0.00 0.00 55.95 55.75 2aby s SER 57 Cb -0.06 -0.66 -0.29 0.00 -1.71 0.00 0.00 66.02 63.30 2aby s SER 57 CO -0.00 -0.12 1.01 0.11 1.20 0.00 0.00 173.24 175.44 2aby h LYS 58 N 1.86 0.28 0.00 5.44 1.57 -1.96 -3.22 116.57 120.54 2aby h LYS 58 Ca -0.43 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 57.87 2aby h LYS 58 Cb 1.25 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.74 2aby h LYS 58 CO 0.63 1.19 0.00 1.63 -0.57 0.00 0.00 179.45 182.33 2aby n LYS 59 N -3.51 0.53 -1.42 3.15 4.76 -1.26 -4.83 118.16 115.58 2aby n LYS 59 Ca -0.12 0.03 -0.48 0.00 -2.87 0.00 0.00 58.31 54.86 2aby n LYS 59 Cb 1.04 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.62 2aby n LYS 59 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2aby n LEU 60 N -1.18 1.18 -4.68 -0.35 0.00 -1.22 -4.74 117.00 106.01 2aby n LEU 60 Ca 0.15 0.29 -0.30 0.00 0.00 0.00 0.00 56.01 56.15 2aby n LEU 60 Cb 0.16 -1.09 -0.08 0.00 0.00 0.00 0.00 43.42 42.41 2aby n LEU 60 CO 0.18 -0.85 -0.34 -0.55 0.00 0.00 0.00 177.39 175.83 2aby s SER 61 N 8.13 5.00 0.39 1.96 0.15 -1.24 -4.99 113.70 123.10 2aby s SER 61 Ca 1.20 -0.18 0.19 0.00 0.70 0.00 0.00 55.95 57.85 2aby s SER 61 Cb -1.08 -1.19 0.79 0.00 -1.71 0.00 0.00 66.02 62.84 2aby s SER 61 CO 0.51 0.18 1.79 -0.33 1.20 0.00 0.00 173.24 176.59 2aby h GLU 62 N 3.45 0.00 -7.76 5.44 5.08 -1.93 -3.45 114.58 115.40 2aby h GLU 62 Ca -0.48 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.45 2aby h GLU 62 Cb 1.16 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.59 2aby h GLU 62 CO 0.59 0.35 0.37 -0.51 -1.00 0.00 0.00 179.01 178.81 2aby s LEU 63 N -7.30 2.34 -0.50 1.33 2.01 -1.26 -4.70 118.68 110.60 2aby s LEU 63 Ca -0.01 0.29 -0.06 0.00 0.01 0.00 0.00 54.13 54.37 2aby s LEU 63 Cb 0.12 -2.24 0.01 0.00 0.01 0.00 0.00 46.19 44.08 2aby s LEU 63 CO 0.68 -3.06 0.54 1.41 1.01 0.00 0.00 176.35 176.93 2aby n HIS 64 N -3.99 -2.64 0.22 0.29 8.25 -1.26 -4.92 115.22 111.17 2aby n HIS 64 Ca 0.15 1.03 0.09 0.00 -0.26 0.00 0.00 57.72 58.74 2aby n HIS 64 Cb 0.59 -3.65 0.50 0.00 1.12 0.00 0.00 29.99 28.55 2aby n HIS 64 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2aby h PRO 65 N 0.92 0.00 0.00 -0.41 0.13 -1.95 -2.86 132.00 127.83 2aby h PRO 65 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2aby h PRO 65 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2aby h PRO 65 CO 0.21 0.24 -0.18 0.93 -0.23 0.00 0.00 178.00 178.97 2aby h GLU 66 N 0.00 0.00 -0.46 0.86 4.39 -1.99 -2.46 114.58 114.91 2aby h GLU 66 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2aby h GLU 66 Cb 0.67 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 2aby h GLU 66 CO 0.03 0.18 -0.11 0.93 -1.16 0.00 0.00 179.01 178.88 2aby h GLU 67 N 0.00 0.84 0.03 2.33 4.39 -1.86 -1.88 114.58 118.43 2aby h GLU 67 Ca -0.00 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.44 2aby h GLU 67 Cb 0.36 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 2aby h GLU 67 CO 0.02 0.91 -0.33 0.00 -1.16 0.00 0.00 179.01 178.45 2aby h ARG 68 N 0.76 -0.48 -0.38 2.33 -0.00 -1.57 0.78 114.38 115.82 2aby h ARG 68 Ca 0.13 0.03 -0.08 0.00 -0.50 0.00 0.00 59.98 59.56 2aby h ARG 68 Cb 0.61 0.11 -0.02 0.00 0.00 0.00 0.00 29.97 30.67 2aby h ARG 68 CO 0.04 -0.32 -0.11 1.57 0.00 0.00 0.00 179.97 181.14 2aby h LYS 69 N -0.50 0.66 0.22 0.04 2.10 -1.62 -0.90 116.57 116.57 2aby h LYS 69 Ca 0.05 -0.21 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2aby h LYS 69 Cb 0.58 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.83 2aby h LYS 69 CO -0.26 0.76 -0.18 -0.22 -2.00 0.00 0.00 179.45 177.56 2aby h LYS 70 N 0.60 -0.39 -0.11 0.07 1.63 -0.61 -1.52 116.57 116.24 2aby h LYS 70 Ca 0.11 0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.83 2aby h LYS 70 Cb 0.55 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 2aby h LYS 70 CO 0.03 -0.26 -0.40 -0.39 -3.45 0.00 0.00 179.45 174.98 2aby h VAL 71 N -0.41 1.31 0.25 2.00 -1.51 -0.81 -1.62 116.25 115.45 2aby h VAL 71 Ca -0.01 -1.50 -0.00 0.00 -1.23 0.00 0.00 66.70 63.95 2aby h VAL 71 Cb 0.37 1.67 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 2aby h VAL 71 CO -0.01 0.45 -0.18 0.03 -1.23 0.00 0.00 177.57 176.63 2aby h ARG 72 N 0.20 -0.41 -0.15 5.19 -0.00 -0.79 -0.01 114.38 118.40 2aby h ARG 72 Ca 0.02 0.03 -0.14 0.00 -0.50 0.00 0.00 59.98 59.39 2aby h ARG 72 Cb 0.80 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.86 2aby h ARG 72 CO 0.06 -0.27 -0.50 1.05 0.00 0.00 0.00 179.97 180.31 2aby h GLU 73 N -0.43 0.41 0.40 0.04 -0.00 -1.27 -0.26 114.58 113.48 2aby h GLU 73 Ca -0.02 -0.23 -0.02 0.00 -0.00 0.00 0.00 59.36 59.09 2aby h GLU 73 Cb 0.37 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.14 2aby h GLU 73 CO 0.00 0.81 -0.19 -0.22 -0.00 0.00 0.00 179.01 179.41 2aby h LYS 74 N 0.32 -0.52 -0.10 1.06 3.11 -1.03 0.29 116.57 119.70 2aby h LYS 74 Ca 0.01 0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.73 2aby h LYS 74 Cb 0.99 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.33 2aby h LYS 74 CO 0.09 -0.35 -0.61 0.27 -2.81 0.00 0.00 179.45 176.04 2aby h PHE 75 N -0.54 0.45 -0.02 1.91 -5.15 -1.03 -1.31 116.94 111.25 2aby h PHE 75 Ca -0.06 -0.17 -0.00 0.00 -0.20 0.00 0.00 57.97 57.54 2aby h PHE 75 Cb 0.42 -0.08 -0.00 0.00 0.22 0.00 0.00 35.95 36.51 2aby h PHE 75 CO -0.05 0.87 0.01 0.22 -2.00 0.00 0.00 178.31 177.36 2aby h ASP 76 N 0.26 0.03 -0.04 -0.68 3.58 -0.88 -0.78 116.42 117.91 2aby h ASP 76 Ca -0.01 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2aby h ASP 76 Cb 1.13 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 2aby h ASP 76 CO 0.10 0.08 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.15 2aby h GLU 77 N -0.02 0.11 -0.94 0.28 5.08 -0.95 -1.35 114.58 116.79 2aby h GLU 77 Ca 0.01 -0.07 0.18 0.00 -1.00 0.00 0.00 59.36 58.48 2aby h GLU 77 Cb 0.05 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 2aby h GLU 77 CO -0.00 0.62 0.60 -0.97 -1.00 0.00 0.00 179.01 178.25 2aby h ASN 78 N -0.38 0.61 0.04 1.42 -1.24 -1.22 0.42 115.58 115.23 2aby h ASN 78 Ca 0.00 0.06 -0.18 0.00 0.71 0.00 0.00 56.30 56.89 2aby h ASN 78 Cb 0.61 -0.06 0.02 0.00 0.73 0.00 0.00 38.32 39.62 2aby h ASN 78 CO 0.01 0.26 -0.73 0.28 -1.29 0.00 0.00 177.43 175.96 2aby h SER 79 N 0.61 0.57 0.53 1.15 0.02 -1.10 -3.16 113.55 112.17 2aby h SER 79 Ca 0.50 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2aby h SER 79 Cb 0.95 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2aby h SER 79 CO -0.25 1.31 0.00 -2.11 -1.14 0.00 0.00 176.83 174.65 2aby n ARG 80 N -4.14 0.08 -1.17 3.45 -4.01 -0.51 -4.86 116.66 105.49 2aby n ARG 80 Ca -0.11 0.17 -0.37 0.00 -1.04 0.00 0.00 57.85 56.50 2aby n ARG 80 Cb 0.75 -1.50 0.04 0.00 -3.04 0.00 0.00 32.46 28.70 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 0.07 -1.14 2.89 2.81 0.14 -4.84 117.12 115.61 2aby n MET 81 Ca 0.06 0.04 -0.35 0.00 -1.81 0.00 0.00 57.70 55.63 2aby n MET 81 Cb 0.19 -1.22 0.09 0.00 -0.71 0.00 0.00 33.22 31.57 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 1.18 0.17 -0.06 0.03 6.02 -1.26 -4.72 117.38 118.73 2aby n GLN 82 Ca 0.06 0.11 -0.01 0.00 -0.01 0.00 0.00 57.00 57.14 2aby n GLN 82 Cb 0.50 -1.97 0.25 0.00 1.02 0.00 0.00 30.24 30.04 2aby n GLN 82 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2aby h TYR 83 N -0.72 0.68 0.13 1.08 5.03 -1.96 -1.12 116.97 120.08 2aby h TYR 83 Ca -0.45 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 60.79 2aby h TYR 83 Cb 1.32 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.40 2aby h TYR 83 CO 0.38 0.62 -0.11 1.03 -1.32 0.00 0.00 178.16 178.76 2aby h SER 84 N 0.64 -0.28 -0.30 -2.11 0.87 -1.99 -0.19 113.55 110.19 2aby h SER 84 Ca 0.14 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.61 2aby h SER 84 Cb 0.32 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2aby h SER 84 CO 0.01 -0.17 -0.20 -0.08 -0.53 0.00 0.00 176.83 175.86 2aby h GLU 85 N -0.25 0.77 -0.74 2.24 4.57 -1.88 0.56 114.58 119.85 2aby h GLU 85 Ca -0.00 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2aby h GLU 85 Cb 0.23 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 2aby h GLU 85 CO -0.02 0.90 0.46 1.25 -1.18 0.00 0.00 179.01 180.43 2aby h LEU 86 N 0.67 0.87 0.01 1.64 7.12 -0.91 0.29 115.31 125.00 2aby h LEU 86 Ca 0.10 -0.05 -0.26 0.00 0.13 0.00 0.00 57.88 57.80 2aby h LEU 86 Cb 0.70 -0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 40.58 2aby h LEU 86 CO 0.05 0.66 -1.39 0.24 -0.13 0.00 0.00 178.44 177.88 2aby h MET 87 N 1.00 0.03 -0.03 1.25 2.86 -0.90 -3.24 114.93 115.90 2aby h MET 87 Ca 0.27 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 2aby h MET 87 Cb -0.07 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 2aby h MET 87 CO -0.05 0.78 -0.02 1.15 1.06 0.00 0.00 176.91 179.83 2aby h THR 88 N 0.01 1.35 0.00 2.22 2.02 0.37 0.33 112.91 119.21 2aby h THR 88 Ca -0.16 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 65.93 2aby h THR 88 Cb 1.91 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 2aby h THR 88 CO 0.11 0.29 0.00 1.17 0.37 0.00 0.00 175.52 177.46 2aby n LYS 89 N -4.82 0.06 -0.12 6.66 3.00 0.99 0.35 118.16 124.28 2aby n LYS 89 Ca -0.08 0.24 -0.20 0.00 -0.00 0.00 0.00 58.31 58.27 2aby n LYS 89 Cb 0.25 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.68 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 -1.07 -4.27 117.16 125.31 2aby n TYR 90 Ca 0.04 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.15 2aby n TYR 90 Cb 0.13 -0.91 -0.05 0.00 -0.63 0.00 0.00 39.34 37.88 2aby n TYR 90 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2aby n HIS 91 N -3.52 0.74 0.32 2.98 8.25 0.11 -4.20 115.22 119.91 2aby n HIS 91 Ca -0.45 0.32 0.16 0.00 -0.26 0.00 0.00 57.72 57.49 2aby n HIS 91 Cb 0.92 -0.82 0.86 0.00 1.12 0.00 0.00 29.99 32.07 2aby n HIS 91 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2aby h ASP 92 N -1.00 0.00 0.28 0.41 3.58 -0.23 0.54 116.42 120.00 2aby h ASP 92 Ca -0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2aby h ASP 92 Cb 0.84 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2aby h ASP 92 CO -0.08 0.00 0.00 -0.11 -2.88 0.00 0.00 179.24 176.17 2aby n LEU 93 N -2.84 0.00 -0.49 2.28 0.00 -1.07 -3.82 117.00 111.05 2aby n LEU 93 Ca -0.02 0.16 0.43 0.00 0.00 0.00 0.00 56.01 56.58 2aby n LEU 93 Cb 0.30 -0.16 0.78 0.00 0.00 0.00 0.00 43.42 44.34 2aby n LEU 93 CO 0.14 -0.02 1.40 0.07 0.00 0.00 0.00 177.39 178.98 2aby h LYS 94 N 0.00 0.00 -0.21 1.96 -0.00 -0.10 0.55 116.57 118.77 2aby h LYS 94 Ca 0.00 -0.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.69 2aby h LYS 94 Cb 0.14 -0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 32.30 2aby h LYS 94 CO 0.00 0.00 -0.50 -0.22 -0.00 0.00 0.00 179.45 178.73 2aby h LYS 95 N 0.00 -0.48 -0.07 0.07 1.63 -1.82 -3.17 116.57 112.74 2aby h LYS 95 Ca 0.73 0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 60.47 2aby h LYS 95 Cb 2.91 0.11 -0.13 0.00 -0.60 0.00 0.00 32.23 34.52 2aby h LYS 95 CO -0.01 -0.32 -0.67 0.00 -3.45 0.00 0.00 179.45 175.00 2aby n GLN 96 N -5.43 1.36 0.00 1.90 10.64 -0.23 -4.94 117.38 120.68 2aby n GLN 96 Ca -0.04 -3.07 0.00 0.00 -1.83 0.00 0.00 57.00 52.06 2aby n GLN 96 Cb 0.37 -1.28 0.00 0.00 -0.86 0.00 0.00 30.24 28.47 2aby n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2aby n GLY 97 N -0.69 -2.63 2.94 2.61 0.00 0.18 -4.97 105.19 102.63 2aby n GLY 97 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.15 -1.32 -3.92 1.61 4.76 -1.26 -4.86 118.16 113.02 2aby n LYS 98 Ca 0.00 1.49 -0.23 0.00 -2.87 0.00 0.00 58.31 56.70 2aby n LYS 98 Cb 0.00 -5.49 -0.06 0.00 -1.84 0.00 0.00 35.03 27.64 2aby n LYS 98 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2aby s ILE 99 N -2.96 2.56 -0.01 -0.18 -4.36 -1.26 -4.86 121.20 110.13 2aby s ILE 99 Ca 0.02 -1.57 0.05 0.00 -0.26 0.00 0.00 60.65 58.90 2aby s ILE 99 Cb -0.01 -3.00 -0.01 0.00 1.25 0.00 0.00 42.46 40.69 2aby s ILE 99 CO 0.70 -0.03 -0.18 -0.54 0.24 0.00 0.00 174.94 175.14 2aby s LYS 100 N -3.98 1.43 -0.77 0.37 1.02 -1.26 -5.09 119.74 111.46 2aby s LYS 100 Ca 0.43 -0.63 -0.04 0.00 0.02 0.00 0.00 55.97 55.75 2aby s LYS 100 Cb 0.00 -1.38 0.19 0.00 -0.52 0.00 0.00 37.83 36.13 2aby s LYS 100 CO 0.24 0.38 0.63 0.34 -0.92 0.00 0.00 175.35 176.02 2aby s ASP 101 N -0.40 5.80 0.65 2.83 2.15 -1.26 -4.95 116.67 121.49 2aby s ASP 101 Ca 0.07 -3.16 -0.14 0.00 0.43 0.00 0.00 52.55 49.74 2aby s ASP 101 Cb -0.07 -1.94 -0.01 0.00 -0.30 0.00 0.00 42.92 40.60 2aby s ASP 101 CO -0.01 -0.33 1.08 -0.13 -0.17 0.00 0.00 175.17 175.61 2aby s ARG 102 N -0.53 2.97 0.63 4.34 1.81 -1.26 -5.02 118.95 121.90 2aby s ARG 102 Ca 0.21 1.22 -0.16 0.00 -1.72 0.00 0.00 55.73 55.28 2aby s ARG 102 Cb -0.14 -1.98 -0.02 0.00 -0.45 0.00 0.00 34.95 32.36 2aby s ARG 102 CO -0.07 -1.09 1.11 -1.25 -0.68 0.00 0.00 175.30 173.32 2aby s PRO 103 N -4.33 2.94 0.08 3.54 0.04 -1.26 -4.97 135.00 131.04 2aby s PRO 103 Ca 0.63 1.44 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 2aby s PRO 103 Cb -0.17 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2aby s PRO 103 CO 0.43 -1.15 0.78 0.54 0.04 0.00 0.00 177.00 177.65 2aby s VAL 104 N -2.20 4.62 0.05 -0.36 0.11 -1.26 -4.76 120.40 116.61 2aby s VAL 104 Ca 0.68 1.67 -0.18 0.00 -2.93 0.00 0.00 61.98 61.22 2aby s VAL 104 Cb -0.21 -4.13 -0.06 0.00 -1.53 0.00 0.00 36.38 30.44 2aby s VAL 104 CO 0.38 0.41 0.53 -0.54 -3.33 0.00 0.00 175.10 172.55 2aby s LYS 105 N -0.35 4.15 0.21 1.54 -0.14 -0.76 -4.79 119.74 119.60 2aby s LYS 105 Ca 0.38 0.67 -0.30 0.00 -1.36 0.00 0.00 55.97 55.36 2aby s LYS 105 Cb -0.21 -3.24 -0.08 0.00 -1.68 0.00 0.00 37.83 32.62 2aby s LYS 105 CO 0.24 0.64 1.07 -1.83 -0.76 0.00 0.00 175.35 174.71 2aby s GLU 106 N -1.06 4.65 -0.03 1.68 1.03 -1.26 0.33 118.70 124.03 2aby s GLU 106 Ca 0.28 1.69 0.05 0.00 0.03 0.00 0.00 54.97 57.02 2aby s GLU 106 Cb -0.19 -3.26 -0.03 0.00 -0.80 0.00 0.00 34.13 29.85 2aby s GLU 106 CO 0.18 0.18 -0.16 0.08 -1.33 0.00 0.00 175.26 174.21 2aby s VAL 107 N -0.59 2.92 0.51 1.83 1.01 -0.42 -4.87 120.40 120.79 2aby s VAL 107 Ca 0.47 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2aby s VAL 107 Cb -0.29 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2aby s VAL 107 CO 0.36 0.54 0.01 -1.00 0.00 0.00 0.00 175.10 175.00 2aby s HIS 108 N -0.76 1.87 -0.17 5.22 3.76 -1.26 -3.65 115.29 120.30 2aby s HIS 108 Ca 0.12 -0.97 -0.29 0.00 -0.15 0.00 0.00 55.06 53.77 2aby s HIS 108 Cb -0.11 -1.60 -0.01 0.00 1.11 0.00 0.00 32.58 31.98 2aby s HIS 108 CO 0.01 0.21 1.14 -1.21 -0.85 0.00 0.00 174.74 174.04 2aby s GLU 109 N -3.87 4.28 0.00 1.40 8.01 -1.26 -4.92 118.70 122.34 2aby s GLU 109 Ca 0.07 1.51 0.00 0.00 0.01 0.00 0.00 54.97 56.56 2aby s GLU 109 Cb 0.02 -3.66 0.00 0.00 -4.31 0.00 0.00 34.13 26.18 2aby s GLU 109 CO 0.03 -0.59 0.00 -1.91 0.01 0.00 0.00 175.26 172.80 2aby n GLU 110 N 6.10 -1.03 -3.85 1.61 2.13 -1.26 -5.10 120.64 119.24 2aby n GLU 110 Ca 0.12 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.64 2aby n GLU 110 Cb 0.46 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.03 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 2.67 0.24 4.31 2.02 -1.26 -4.87 117.35 117.45 2aby s TYR 111 Ca 0.00 -2.86 0.00 0.00 -0.37 0.00 0.00 57.07 53.84 2aby s TYR 111 Cb 0.00 -2.42 0.00 0.00 -0.40 0.00 0.00 41.96 39.14 2aby s TYR 111 CO 0.00 -0.76 0.00 -3.47 -1.57 0.00 0.00 175.55 169.75 2aby n ASP 112 N 3.30 -0.01 -3.16 2.29 2.03 -1.26 -5.12 116.55 114.62 2aby n ASP 112 Ca 0.06 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.78 2aby n ASP 112 Cb 0.33 0.28 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2aby n LEU 113 N -3.38 0.00 -0.10 -2.67 4.77 -1.26 -4.90 117.00 109.47 2aby n LEU 113 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2aby n LEU 113 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2aby n LEU 113 CO 0.00 -1.27 0.94 -0.50 -1.33 0.00 0.00 177.39 175.24 2aby h TRP 114 N -1.76 0.43 -6.07 -1.77 4.06 -2.00 -3.47 115.95 105.38 2aby h TRP 114 Ca 0.00 -0.01 -0.35 0.00 2.06 0.00 0.00 58.89 60.59 2aby h TRP 114 Cb 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.03 2aby h TRP 114 CO 0.00 0.36 -0.84 0.39 -3.56 0.00 0.00 178.44 174.79 2aby n GLU 115 N -4.80 -1.21 0.00 0.49 1.02 -1.26 -4.59 120.64 110.29 2aby n GLU 115 Ca -0.01 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 2aby n GLU 115 Cb 0.08 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2aby n GLU 115 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2aby n ASP 116 N -1.32 0.00 0.24 1.62 2.03 -1.26 -4.91 116.55 112.95 2aby n ASP 116 Ca -0.20 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.01 2aby n ASP 116 Cb 0.51 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.86 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 -0.65 0.00 -0.67 0.13 -1.92 -3.31 132.00 125.58 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 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.28 2aby h PRO 117 CO 0.00 -0.43 -0.04 -0.84 -0.23 0.00 0.00 178.00 176.46 2aby h ILE 118 N -1.15 0.00 -0.01 -3.56 -2.65 -1.82 -2.24 117.51 106.08 2aby h ILE 118 Ca -0.07 -0.59 0.00 0.00 1.03 0.00 0.00 64.86 65.24 2aby h ILE 118 Cb 0.52 1.56 -0.00 0.00 -2.05 0.00 0.00 36.82 36.85 2aby h ILE 118 CO 0.11 0.00 0.01 -0.25 0.03 0.00 0.00 178.15 178.06 2aby h TRP 119 N 0.00 0.00 0.00 0.16 2.91 -1.91 -3.39 115.95 113.72 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 0.79 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 2aby h TRP 119 CO 0.00 0.00 0.00 0.94 -1.03 0.00 0.00 178.44 178.35 2aby n GLN 120 N -3.81 0.00 -1.87 2.65 7.27 -1.22 -4.95 117.38 115.45 2aby n GLN 120 Ca -0.03 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.75 2aby n GLN 120 Cb 0.09 -0.05 0.17 0.00 2.41 0.00 0.00 30.24 32.86 2aby n GLN 120 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2aby s TYR 121 N -1.22 1.82 -1.26 3.69 1.51 -0.85 -5.12 117.35 115.92 2aby s TYR 121 Ca 0.00 0.43 0.00 0.00 -1.01 0.00 0.00 57.07 56.49 2aby s TYR 121 Cb 0.00 -3.95 0.00 0.00 -0.11 0.00 0.00 41.96 37.90 2aby s TYR 121 CO 0.00 -2.54 0.32 -0.89 -1.11 0.00 0.00 175.55 171.32