#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aby n GLN 2 N 0.00 2.93 -4.32 0.03 10.64 -1.26 -4.89 117.38 120.51 2aby n GLN 2 Ca 0.00 -2.23 -0.30 0.00 -1.83 0.00 0.00 57.00 52.64 2aby n GLN 2 Cb 0.00 -2.29 -0.11 0.00 -0.86 0.00 0.00 30.24 26.98 2aby n GLN 2 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 2aby s LYS 3 N -0.44 1.98 0.00 2.61 -2.85 -1.26 -4.62 119.74 115.16 2aby s LYS 3 Ca 0.61 -1.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.50 2aby s LYS 3 Cb 0.30 -2.21 0.00 0.00 -2.06 0.00 0.00 37.83 33.86 2aby s LYS 3 CO -0.12 0.50 0.00 0.41 0.10 0.00 0.00 175.35 176.24 2aby n GLY 4 N 0.87 0.65 3.14 0.59 0.00 -1.26 -5.06 105.19 104.12 2aby n GLY 4 Ca -0.15 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.10 0.99 2.01 -1.26 -3.99 118.68 118.81 2aby s LEU 5 Ca 0.00 -0.96 0.02 0.00 0.01 0.00 0.00 54.13 53.20 2aby s LEU 5 Cb 0.00 0.01 -0.01 0.00 0.01 0.00 0.00 46.19 46.19 2aby s LEU 5 CO 0.00 -0.48 -0.18 -1.83 1.01 0.00 0.00 176.35 174.87 2aby s GLU 6 N -3.66 3.06 0.01 1.70 -1.05 -1.26 -3.49 118.70 114.00 2aby s GLU 6 Ca 0.08 -0.77 -0.03 0.00 -0.15 0.00 0.00 54.97 54.11 2aby s GLU 6 Cb 0.05 -2.44 -0.01 0.00 -0.44 0.00 0.00 34.13 31.28 2aby s GLU 6 CO -0.06 0.29 0.04 0.96 0.95 0.00 0.00 175.26 177.44 2aby s ILE 7 N 0.12 0.08 0.05 1.83 -0.00 0.14 -4.96 121.20 118.45 2aby s ILE 7 Ca -0.09 -0.67 0.07 0.00 -0.00 0.00 0.00 60.65 59.95 2aby s ILE 7 Cb -0.15 -0.28 -0.03 0.00 -0.00 0.00 0.00 42.46 41.99 2aby s ILE 7 CO 0.05 -0.37 -0.15 0.00 -0.00 0.00 0.00 174.94 174.48 2aby s ALA 8 N -1.16 2.73 -0.01 2.27 0.00 -1.26 -1.70 121.76 122.63 2aby s ALA 8 Ca -0.13 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.67 2aby s ALA 8 Cb -0.07 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 2aby s ALA 8 CO -0.00 0.59 -0.06 0.12 0.00 0.00 0.00 175.76 176.41 2aby s PHE 9 N -1.00 0.59 0.35 0.00 5.36 -0.66 -4.61 117.98 118.01 2aby s PHE 9 Ca 0.16 -0.12 0.01 0.00 -0.96 0.00 0.00 56.93 56.03 2aby s PHE 9 Cb -0.11 -0.41 -0.03 0.00 -0.34 0.00 0.00 43.02 42.14 2aby s PHE 9 CO 0.07 -0.03 0.54 1.14 -1.46 0.00 0.00 175.22 175.48 2aby s GLN 10 N 0.01 3.39 -0.28 10.12 1.03 -1.26 -0.83 119.66 131.84 2aby s GLN 10 Ca 0.00 -0.45 -0.25 0.00 0.04 0.00 0.00 55.36 54.71 2aby s GLN 10 Cb -0.04 -2.68 0.11 0.00 0.03 0.00 0.00 33.01 30.43 2aby s GLN 10 CO -0.00 0.11 0.98 -0.08 -2.54 0.00 0.00 175.29 173.76 2aby s THR 11 N -2.31 0.00 -0.28 3.63 -1.32 0.36 -4.86 115.64 110.86 2aby s THR 11 Ca 0.41 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 61.06 2aby s THR 11 Cb -0.10 -1.00 0.49 0.00 -1.51 0.00 0.00 72.50 70.38 2aby s THR 11 CO 0.35 0.00 1.12 2.30 -2.21 0.00 0.00 174.62 176.18 2aby n ILE 12 N 2.32 1.64 -2.38 5.08 -6.64 -1.26 -0.25 119.36 117.87 2aby n ILE 12 Ca -0.13 -3.38 -0.14 0.00 -1.77 0.00 0.00 62.75 57.33 2aby n ILE 12 Cb 0.56 0.46 -0.01 0.00 -1.44 0.00 0.00 39.64 39.21 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 -0.57 -4.19 -0.00 7.28 5.15 -1.26 -4.87 115.26 116.80 2aby n ASN 13 Ca 0.19 0.17 -0.00 0.00 -0.60 0.00 0.00 54.58 54.34 2aby n ASN 13 Cb 0.84 -3.56 -0.00 0.00 -0.53 0.00 0.00 39.78 36.53 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 -0.81 -0.54 0.34 8.20 0.00 -1.26 -4.88 105.19 106.24 2aby n GLY 14 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.35 0.00 -0.00 0.99 4.77 -1.26 -4.85 117.00 114.30 2aby n LEU 15 Ca -0.00 -0.74 0.01 0.00 -0.03 0.00 0.00 56.01 55.25 2aby n LEU 15 Cb 0.01 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2aby n LEU 15 CO 0.00 0.43 -0.16 0.47 -1.33 0.00 0.00 177.39 176.81 2aby n ASP 16 N 0.00 1.33 -0.20 -1.43 8.00 -1.26 -4.70 116.55 118.28 2aby n ASP 16 Ca 0.00 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.10 2aby n ASP 16 Cb 0.58 1.04 0.09 0.00 -0.02 0.00 0.00 41.12 42.81 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 0.09 -0.53 -1.24 4.11 -1.90 0.29 114.58 115.40 2aby h GLU 17 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2aby h GLU 17 Cb 0.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2aby h GLU 17 CO 0.00 0.06 0.19 0.77 0.07 0.00 0.00 179.01 180.10 2aby h SER 18 N 0.09 0.75 -0.28 3.06 0.02 -1.97 -1.63 113.55 113.59 2aby h SER 18 Ca 0.31 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2aby h SER 18 Cb 0.50 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2aby h SER 18 CO -0.54 0.73 0.07 0.25 -1.14 0.00 0.00 176.83 176.20 2aby h LEU 19 N 0.72 0.50 0.26 5.07 7.12 -1.39 0.16 115.31 127.76 2aby h LEU 19 Ca 0.18 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 2aby h LEU 19 Cb 0.23 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2aby h LEU 19 CO -0.01 0.52 -0.13 0.58 -0.13 0.00 0.00 178.44 179.28 2aby h VAL 20 N 0.53 0.72 0.00 1.05 2.07 -0.12 0.17 116.25 120.67 2aby h VAL 20 Ca 0.12 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2aby h VAL 20 Cb 0.24 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2aby h VAL 20 CO -0.00 0.15 -0.15 1.56 0.02 0.00 0.00 177.57 179.14 2aby h GLN 21 N -0.81 0.00 0.00 1.57 4.20 -1.22 -0.92 115.11 117.94 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 -0.24 3.87 0.00 -0.64 -3.27 119.26 120.82 2aby h ALA 22 Ca -0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2aby h ALA 22 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2aby h ALA 22 CO 0.02 -0.01 0.04 1.37 0.00 0.00 0.00 179.25 180.67 2aby h LEU 23 N -0.99 0.31 0.14 0.00 8.10 -0.58 -0.87 115.31 121.42 2aby h LEU 23 Ca -0.00 -0.04 0.01 0.00 0.11 0.00 0.00 57.88 57.97 2aby h LEU 23 Cb 0.78 -0.08 -0.03 0.00 -0.44 0.00 0.00 40.66 40.89 2aby h LEU 23 CO 0.00 0.34 -0.23 0.00 -4.11 0.00 0.00 178.44 174.45 2aby h ALA 24 N 1.71 -0.40 -0.06 0.17 0.00 -1.28 0.34 119.26 119.74 2aby h ALA 24 Ca 0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2aby h ALA 24 Cb 0.17 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2aby h ALA 24 CO -0.00 -0.76 -0.22 0.78 0.00 0.00 0.00 179.25 179.04 2aby h GLY 25 N -0.43 0.29 0.69 0.00 0.00 -1.56 -1.53 103.07 100.53 2aby h GLY 25 Ca 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 46.98 2aby h GLY 25 CO -0.11 0.34 -0.18 -2.08 0.00 0.00 0.00 176.54 174.51 2aby h VAL 26 N -0.25 0.59 0.40 4.60 2.07 -1.12 0.38 116.25 122.91 2aby h VAL 26 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2aby h VAL 26 Cb 0.86 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2aby h VAL 26 CO 0.05 0.00 -0.19 0.74 0.02 0.00 0.00 177.57 178.18 2aby h THR 27 N -0.35 0.60 -0.77 2.57 2.02 -0.41 1.00 112.91 117.57 2aby h THR 27 Ca 0.02 -0.25 0.11 0.00 0.77 0.00 0.00 66.41 67.06 2aby h THR 27 Cb 0.37 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 2aby h THR 27 CO -0.10 0.05 0.51 0.00 0.37 0.00 0.00 175.52 176.35 2aby h ALA 28 N -0.15 1.88 -0.00 6.16 0.00 -1.21 0.62 119.26 126.57 2aby h ALA 28 Ca -0.06 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2aby h ALA 28 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2aby h ALA 28 CO 0.09 -0.06 -0.81 1.03 0.00 0.00 0.00 179.25 179.50 2aby h SER 29 N 0.61 0.11 1.62 0.00 0.87 -0.02 -3.06 113.55 113.68 2aby h SER 29 Ca 0.36 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2aby h SER 29 Cb 0.58 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2aby h SER 29 CO -0.14 0.87 0.00 -0.78 -0.53 0.00 0.00 176.83 176.26 2aby h ASP 30 N 0.05 0.00 -2.26 6.23 3.58 0.10 -3.33 116.42 120.79 2aby h ASP 30 Ca -0.02 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.84 2aby h ASP 30 Cb 1.43 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 42.06 2aby h ASP 30 CO 0.11 0.00 -0.67 0.49 -2.88 0.00 0.00 179.24 176.29 2aby n PHE 31 N -2.65 3.75 -0.08 0.28 3.72 0.03 -4.86 117.46 117.65 2aby n PHE 31 Ca 0.04 -4.01 -0.11 0.00 -0.05 0.00 0.00 57.45 53.33 2aby n PHE 31 Cb 0.45 -0.49 0.03 0.00 -0.94 0.00 0.00 39.48 38.52 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 3.16 0.80 0.00 -1.08 0.13 -1.68 -3.25 132.00 130.08 2aby h PRO 32 Ca 0.14 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2aby h PRO 32 Cb 0.55 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2aby h PRO 32 CO 0.80 1.05 -1.72 -0.25 -0.23 0.00 0.00 178.00 177.65 2aby n ASP 33 N -4.04 0.58 0.00 1.44 9.92 -1.26 -4.24 116.55 118.95 2aby n ASP 33 Ca -0.02 -0.17 0.07 0.00 -0.53 0.00 0.00 54.79 54.13 2aby n ASP 33 Cb 0.54 1.74 0.31 0.00 -0.64 0.00 0.00 41.12 43.06 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 -2.05 0.00 -3.54 0.64 4.32 -1.23 -4.90 117.00 110.23 2aby n LEU 34 Ca -0.02 0.45 -0.21 0.00 -0.02 0.00 0.00 56.01 56.20 2aby n LEU 34 Cb 0.47 -0.45 0.02 0.00 -1.62 0.00 0.00 43.42 41.85 2aby n LEU 34 CO 0.41 -0.24 -0.00 0.47 -1.22 0.00 0.00 177.39 176.81 2aby n ASP 35 N -1.45 -5.89 -4.76 -1.43 8.00 -1.23 -4.61 116.55 105.19 2aby n ASP 35 Ca 0.04 -0.76 -0.41 0.00 0.71 0.00 0.00 54.79 54.38 2aby n ASP 35 Cb 0.15 -3.49 -0.03 0.00 -0.02 0.00 0.00 41.12 37.72 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 -3.22 3.14 -0.82 0.53 2.07 -1.25 -4.26 121.20 117.38 2aby s ILE 36 Ca 0.24 1.11 0.01 0.00 -1.41 0.00 0.00 60.65 60.60 2aby s ILE 36 Cb -0.08 -3.71 0.22 0.00 0.13 0.00 0.00 42.46 39.02 2aby s ILE 36 CO 0.84 0.25 0.78 0.29 -1.91 0.00 0.00 174.94 175.19 2aby n LYS 37 N 1.23 2.60 -4.46 3.50 4.76 -0.20 -5.03 118.16 120.56 2aby n LYS 37 Ca 0.00 -4.53 -0.29 0.00 -2.87 0.00 0.00 58.31 50.63 2aby n LYS 37 Cb 0.43 -2.36 -0.13 0.00 -1.84 0.00 0.00 35.03 31.13 2aby n LYS 37 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2aby s TYR 38 N -1.76 2.24 0.23 2.13 6.14 -1.26 -0.80 117.35 124.28 2aby s TYR 38 Ca 0.30 -0.39 -0.19 0.00 0.64 0.00 0.00 57.07 57.42 2aby s TYR 38 Cb -0.01 -1.24 0.03 0.00 0.42 0.00 0.00 41.96 41.16 2aby s TYR 38 CO -0.09 0.29 0.61 -0.80 0.64 0.00 0.00 175.55 176.19 2aby s ASN 39 N -1.90 -0.30 -0.06 4.32 0.01 -0.48 -4.99 114.94 111.54 2aby s ASN 39 Ca 0.13 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 51.80 2aby s ASN 39 Cb -0.10 0.64 0.02 0.00 0.41 0.00 0.00 41.25 42.22 2aby s ASN 39 CO 0.05 -1.17 -0.08 0.27 -1.51 0.00 0.00 177.10 174.66 2aby s ILE 40 N -3.88 0.84 0.08 0.60 -4.36 -1.26 -1.56 121.20 111.66 2aby s ILE 40 Ca 0.10 -0.29 0.06 0.00 -0.26 0.00 0.00 60.65 60.26 2aby s ILE 40 Cb -0.03 -0.82 -0.03 0.00 1.25 0.00 0.00 42.46 42.83 2aby s ILE 40 CO 0.00 0.30 -0.16 0.72 0.24 0.00 0.00 174.94 176.04 2aby s PHE 41 N 0.93 1.39 -0.17 1.37 -0.12 -0.71 -1.80 117.98 118.87 2aby s PHE 41 Ca -0.10 -0.46 -0.05 0.00 -0.05 0.00 0.00 56.93 56.27 2aby s PHE 41 Cb -0.15 -0.77 -0.03 0.00 -0.63 0.00 0.00 43.02 41.45 2aby s PHE 41 CO 0.01 0.10 -0.01 -1.17 -0.05 0.00 0.00 175.22 174.10 2aby s LEU 42 N -1.84 3.34 -0.10 -1.99 1.98 0.21 -1.52 118.68 118.77 2aby s LEU 42 Ca 0.01 -0.12 -0.02 0.00 -2.89 0.00 0.00 54.13 51.12 2aby s LEU 42 Cb -0.10 -1.83 -0.03 0.00 0.66 0.00 0.00 46.19 44.90 2aby s LEU 42 CO 0.03 0.14 -0.02 0.68 -1.89 0.00 0.00 176.35 175.28 2aby s VAL 43 N 0.57 4.11 -0.26 1.68 -7.23 0.68 -1.17 120.40 118.77 2aby s VAL 43 Ca -0.01 -0.32 -0.02 0.00 -1.81 0.00 0.00 61.98 59.82 2aby s VAL 43 Cb -0.14 -2.73 0.08 0.00 0.56 0.00 0.00 36.38 34.15 2aby s VAL 43 CO 0.02 0.58 0.08 1.51 -0.31 0.00 0.00 175.10 176.98 2aby s ASP 44 N -0.63 3.44 0.07 4.85 -4.77 -1.26 0.13 116.67 118.49 2aby s ASP 44 Ca 0.10 -1.21 -0.17 0.00 -3.30 0.00 0.00 52.55 47.97 2aby s ASP 44 Cb -0.12 -0.63 0.03 0.00 -1.09 0.00 0.00 42.92 41.11 2aby s ASP 44 CO 0.02 -0.38 0.39 -0.22 0.70 0.00 0.00 175.17 175.68 2aby s LEU 45 N 1.83 0.49 -1.81 2.11 1.98 -0.73 -4.89 118.68 117.67 2aby s LEU 45 Ca 0.05 -0.13 0.00 0.00 -2.89 0.00 0.00 54.13 51.16 2aby s LEU 45 Cb -0.17 1.70 0.00 0.00 0.66 0.00 0.00 46.19 48.38 2aby s LEU 45 CO -0.20 -0.71 0.00 -1.22 -1.89 0.00 0.00 176.35 172.33 2aby n TYR 46 N 0.30 -0.07 0.00 5.38 4.01 -1.26 -1.44 117.16 124.09 2aby n TYR 46 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2aby n TYR 46 Cb 0.61 -3.01 0.00 0.00 -0.31 0.00 0.00 39.34 36.63 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 -0.87 2.57 3.44 2.72 0.00 -1.26 -5.00 105.19 106.80 2aby n GLY 47 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.16 3.24 -0.15 1.61 -0.21 -0.52 -5.11 119.66 118.36 2aby s GLN 48 Ca 0.00 -0.64 -0.03 0.00 0.02 0.00 0.00 55.36 54.72 2aby s GLN 48 Cb 0.00 -2.65 -0.02 0.00 1.00 0.00 0.00 33.01 31.34 2aby s GLN 48 CO 0.00 0.33 -0.06 -1.59 -2.12 0.00 0.00 175.29 171.85 2aby s LYS 49 N 0.05 3.60 0.08 2.91 0.00 -1.26 -1.77 119.74 123.36 2aby s LYS 49 Ca -0.04 -0.56 0.05 0.00 0.00 0.00 0.00 55.97 55.42 2aby s LYS 49 Cb -0.14 -2.84 -0.03 0.00 0.00 0.00 0.00 37.83 34.81 2aby s LYS 49 CO 0.04 0.24 -0.13 0.71 0.00 0.00 0.00 175.35 176.21 2aby s TYR 50 N 0.35 1.17 -0.15 1.78 2.02 0.12 -4.97 117.35 117.66 2aby s TYR 50 Ca -0.06 -0.52 -0.07 0.00 -0.37 0.00 0.00 57.07 56.06 2aby s TYR 50 Cb -0.15 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 2aby s TYR 50 CO 0.04 0.05 0.08 -0.06 -1.57 0.00 0.00 175.55 174.08 2aby s PHE 51 N -1.66 3.33 -0.02 2.71 0.40 0.66 -0.23 117.98 123.18 2aby s PHE 51 Ca 0.01 0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.60 2aby s PHE 51 Cb -0.08 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.44 2aby s PHE 51 CO 0.02 0.36 -0.14 1.03 0.70 0.00 0.00 175.22 177.19 2aby s ARG 52 N -0.17 1.16 -0.07 0.44 1.81 -0.57 -0.48 118.95 121.07 2aby s ARG 52 Ca 0.08 -0.48 0.04 0.00 -1.72 0.00 0.00 55.73 53.65 2aby s ARG 52 Cb -0.12 -1.11 -0.02 0.00 -0.45 0.00 0.00 34.95 33.26 2aby s ARG 52 CO 0.01 0.27 -0.19 0.96 -0.68 0.00 0.00 175.30 175.67 2aby s ILE 53 N -0.23 2.64 -0.19 1.52 -5.25 -0.01 -1.73 121.20 117.95 2aby s ILE 53 Ca 0.03 -0.86 0.01 0.00 -0.99 0.00 0.00 60.65 58.85 2aby s ILE 53 Cb -0.06 -2.02 0.03 0.00 2.95 0.00 0.00 42.46 43.35 2aby s ILE 53 CO -0.00 0.57 -0.18 -0.22 -1.79 0.00 0.00 174.94 173.31 2aby s LEU 54 N -0.27 2.30 -0.19 0.37 0.20 -0.60 -1.66 118.68 118.84 2aby s LEU 54 Ca 0.01 -0.75 0.01 0.00 0.69 0.00 0.00 54.13 54.08 2aby s LEU 54 Cb -0.13 -1.47 0.03 0.00 -0.43 0.00 0.00 46.19 44.18 2aby s LEU 54 CO 0.03 -0.03 -0.18 0.12 -0.29 0.00 0.00 176.35 176.00 2aby s PHE 55 N 1.27 2.73 0.06 5.38 5.36 -0.69 -1.38 117.98 130.72 2aby s PHE 55 Ca 0.03 -1.67 0.02 0.00 -0.96 0.00 0.00 56.93 54.35 2aby s PHE 55 Cb -0.14 -1.86 -0.03 0.00 -0.34 0.00 0.00 43.02 40.65 2aby s PHE 55 CO -0.12 -0.80 -0.08 1.14 -1.46 0.00 0.00 175.22 173.91 2aby s GLN 56 N 1.30 0.61 0.64 10.12 -2.07 0.02 0.23 119.66 130.51 2aby s GLN 56 Ca 0.03 -0.90 0.02 0.00 -1.82 0.00 0.00 55.36 52.69 2aby s GLN 56 Cb -0.14 -0.28 0.09 0.00 -1.09 0.00 0.00 33.01 31.60 2aby s GLN 56 CO -0.12 0.04 0.89 -1.12 -1.32 0.00 0.00 175.29 173.66 2aby s SER 57 N -1.94 4.76 -0.17 12.60 0.01 -1.23 -1.03 113.70 126.70 2aby s SER 57 Ca -0.05 -0.38 0.09 0.00 1.31 0.00 0.00 55.95 56.92 2aby s SER 57 Cb -0.06 -0.17 -0.23 0.00 0.21 0.00 0.00 66.02 65.77 2aby s SER 57 CO -0.01 -1.55 0.16 1.17 0.41 0.00 0.00 173.24 173.42 2aby n LYS 58 N -2.57 0.68 0.00 12.44 0.00 -1.26 -4.24 118.16 123.21 2aby n LYS 58 Ca 0.13 0.14 0.13 0.00 0.00 0.00 0.00 58.31 58.71 2aby n LYS 58 Cb 0.60 -1.61 0.28 0.00 0.00 0.00 0.00 35.03 34.31 2aby n LYS 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2aby n LYS 59 N -3.06 1.36 -1.63 1.64 4.81 -1.26 -4.96 118.16 115.05 2aby n LYS 59 Ca -0.33 -0.95 -0.59 0.00 -0.87 0.00 0.00 58.31 55.58 2aby n LYS 59 Cb 1.07 -1.48 -0.08 0.00 0.02 0.00 0.00 35.03 34.57 2aby n LYS 59 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2aby n LEU 60 N 0.01 1.34 -4.68 3.14 -0.00 -1.26 -4.95 117.00 110.60 2aby n LEU 60 Ca 0.13 1.13 -0.30 0.00 -0.00 0.00 0.00 56.01 56.98 2aby n LEU 60 Cb 0.42 -1.04 -0.08 0.00 -0.00 0.00 0.00 43.42 42.71 2aby n LEU 60 CO 0.22 -1.06 -0.34 -0.55 -0.00 0.00 0.00 177.39 175.67 2aby s SER 61 N 1.70 4.98 0.53 1.45 0.15 -1.26 -5.01 113.70 116.25 2aby s SER 61 Ca 0.94 -0.20 0.32 0.00 0.70 0.00 0.00 55.95 57.71 2aby s SER 61 Cb -1.18 -1.17 1.27 0.00 -1.71 0.00 0.00 66.02 63.24 2aby s SER 61 CO 0.62 0.17 1.95 -0.33 1.20 0.00 0.00 173.24 176.85 2aby h GLU 62 N 3.44 0.00 0.00 5.44 3.07 -1.97 -3.44 114.58 121.11 2aby h GLU 62 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2aby h GLU 62 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2aby h GLU 62 CO 0.59 0.04 0.00 1.28 -1.40 0.00 0.00 179.01 179.52 2aby n LEU 63 N -3.15 0.00 -2.72 1.33 4.77 -1.26 -4.83 117.00 111.15 2aby n LEU 63 Ca 0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2aby n LEU 63 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2aby n LEU 63 CO 0.28 -0.46 0.21 1.41 -1.33 0.00 0.00 177.39 177.50 2aby n HIS 64 N -1.45 -2.57 0.08 -1.77 8.25 -1.26 -4.94 115.22 111.57 2aby n HIS 64 Ca 0.00 1.00 -0.03 0.00 -0.26 0.00 0.00 57.72 58.43 2aby n HIS 64 Cb 0.00 -3.63 0.19 0.00 1.12 0.00 0.00 29.99 27.67 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 0.77 0.26 0.00 -0.41 0.13 -1.96 -2.94 132.00 127.85 2aby h PRO 65 Ca 0.00 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2aby h PRO 65 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 2aby h PRO 65 CO 0.22 0.67 -0.02 1.49 -0.23 0.00 0.00 178.00 180.13 2aby h GLU 66 N 0.21 0.00 -0.01 0.86 4.81 -2.02 -1.32 114.58 117.11 2aby h GLU 66 Ca 0.01 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 2aby h GLU 66 Cb 0.90 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 2aby h GLU 66 CO 0.07 0.02 -0.79 0.93 -0.73 0.00 0.00 179.01 178.51 2aby h GLU 67 N 0.00 0.17 -0.15 1.92 5.08 -1.88 -3.05 114.58 116.67 2aby h GLU 67 Ca -0.00 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2aby h GLU 67 Cb 0.03 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2aby h GLU 67 CO 0.00 0.87 -0.10 0.00 -1.00 0.00 0.00 179.01 178.79 2aby h ARG 68 N 0.10 -0.09 -0.58 2.33 3.08 -1.28 -0.76 114.38 117.18 2aby h ARG 68 Ca -0.03 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2aby h ARG 68 Cb 1.38 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 2aby h ARG 68 CO 0.12 -0.06 0.07 1.57 -1.07 0.00 0.00 179.97 180.59 2aby h LYS 69 N -0.10 0.96 0.09 0.04 2.10 -1.61 -0.45 116.57 117.60 2aby h LYS 69 Ca 0.09 -0.25 0.01 0.00 -2.00 0.00 0.00 60.65 58.50 2aby h LYS 69 Cb 0.23 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 2aby h LYS 69 CO -0.21 0.90 -0.15 -0.22 -2.00 0.00 0.00 179.45 177.77 2aby h LYS 70 N 0.90 -0.28 -0.13 0.07 1.63 -1.28 -1.45 116.57 116.01 2aby h LYS 70 Ca 0.18 0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.89 2aby h LYS 70 Cb 0.43 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 2aby h LYS 70 CO 0.01 -0.19 -0.39 -0.39 -3.45 0.00 0.00 179.45 175.05 2aby h VAL 71 N -0.29 1.30 0.28 2.00 -1.51 -1.07 -0.77 116.25 116.18 2aby h VAL 71 Ca 0.02 -1.48 -0.00 0.00 -1.23 0.00 0.00 66.70 64.00 2aby h VAL 71 Cb 0.31 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 2aby h VAL 71 CO -0.08 0.45 -0.20 0.03 -1.23 0.00 0.00 177.57 176.54 2aby h ARG 72 N 0.25 -0.46 -0.11 5.19 -0.00 -0.62 0.22 114.38 118.85 2aby h ARG 72 Ca 0.02 0.03 -0.17 0.00 -0.50 0.00 0.00 59.98 59.37 2aby h ARG 72 Cb 0.80 0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.87 2aby h ARG 72 CO 0.06 -0.31 -0.66 1.05 0.00 0.00 0.00 179.97 180.11 2aby h GLU 73 N -0.48 0.42 0.19 0.04 4.11 -1.27 -0.93 114.58 116.67 2aby h GLU 73 Ca -0.02 -0.31 -0.01 0.00 0.07 0.00 0.00 59.36 59.09 2aby h GLU 73 Cb 0.42 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2aby h GLU 73 CO 0.00 0.94 -0.09 -0.22 0.07 0.00 0.00 179.01 179.70 2aby h LYS 74 N 0.30 -0.25 -0.17 1.06 1.63 -0.93 -0.50 116.57 117.71 2aby h LYS 74 Ca -0.02 0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 2aby h LYS 74 Cb 1.21 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 2aby h LYS 74 CO 0.11 -0.08 -0.50 0.27 -3.45 0.00 0.00 179.45 175.80 2aby h PHE 75 N -0.36 0.56 -0.03 1.91 -5.15 -0.61 -1.25 116.94 112.02 2aby h PHE 75 Ca -0.03 -0.19 -0.00 0.00 -0.20 0.00 0.00 57.97 57.56 2aby h PHE 75 Cb 0.28 -0.11 -0.00 0.00 0.22 0.00 0.00 35.95 36.33 2aby h PHE 75 CO -0.03 0.87 0.02 0.22 -2.00 0.00 0.00 178.31 177.38 2aby h ASP 76 N 0.36 0.04 -0.05 -0.68 3.58 -1.03 -0.88 116.42 117.77 2aby h ASP 76 Ca 0.02 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2aby h ASP 76 Cb 1.01 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.05 2aby h ASP 76 CO 0.09 0.09 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.17 2aby h GLU 77 N -0.01 0.11 -0.95 0.28 4.39 -1.09 -1.43 114.58 115.88 2aby h GLU 77 Ca 0.01 -0.05 0.17 0.00 0.34 0.00 0.00 59.36 59.83 2aby h GLU 77 Cb 0.06 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.63 2aby h GLU 77 CO -0.00 0.55 0.60 -0.97 -1.16 0.00 0.00 179.01 178.03 2aby h ASN 78 N -0.33 0.66 -0.03 1.42 -0.73 -1.20 0.41 115.58 115.78 2aby h ASN 78 Ca 0.01 0.06 -0.16 0.00 1.87 0.00 0.00 56.30 58.08 2aby h ASN 78 Cb 0.52 -0.06 0.01 0.00 0.27 0.00 0.00 38.32 39.06 2aby h ASN 78 CO 0.01 0.28 -0.59 0.77 -0.37 0.00 0.00 177.43 177.53 2aby h SER 79 N 0.67 0.57 0.52 1.15 4.64 -1.10 -3.10 113.55 116.91 2aby h SER 79 Ca 0.51 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2aby h SER 79 Cb 0.89 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2aby h SER 79 CO -0.27 1.22 0.00 -2.11 -0.87 0.00 0.00 176.83 174.80 2aby n ARG 80 N -4.21 0.14 -1.26 4.77 -4.01 -0.54 -4.88 116.66 106.67 2aby n ARG 80 Ca -0.10 0.14 -0.40 0.00 -1.04 0.00 0.00 57.85 56.45 2aby n ARG 80 Cb 0.66 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.58 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 -1.39 0.00 -0.79 2.89 2.81 0.13 -4.84 117.12 115.93 2aby n MET 81 Ca 0.07 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.63 2aby n MET 81 Cb 0.19 -0.99 0.12 0.00 -0.71 0.00 0.00 33.22 31.83 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 1.40 -0.50 -0.02 0.03 6.02 -1.26 -4.71 117.38 118.33 2aby n GLN 82 Ca 0.10 -0.11 -0.05 0.00 -0.01 0.00 0.00 57.00 56.93 2aby n GLN 82 Cb 0.43 -1.75 0.17 0.00 1.02 0.00 0.00 30.24 30.10 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 -1.61 0.64 0.19 1.08 5.03 -1.98 -1.96 116.97 118.36 2aby h TYR 83 Ca -0.45 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 60.72 2aby h TYR 83 Cb 1.30 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.41 2aby h TYR 83 CO 0.33 0.76 -0.19 1.03 -1.32 0.00 0.00 178.16 178.77 2aby h SER 84 N 0.50 -0.52 -0.18 -2.11 0.87 -1.98 0.23 113.55 110.36 2aby h SER 84 Ca 0.07 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 2aby h SER 84 Cb 0.69 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 2aby h SER 84 CO 0.05 -0.29 -0.14 -0.08 -0.53 0.00 0.00 176.83 175.84 2aby h GLU 85 N -0.42 0.58 -0.44 2.24 4.57 -1.90 0.52 114.58 119.73 2aby h GLU 85 Ca 0.00 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 57.94 2aby h GLU 85 Cb 0.39 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2aby h GLU 85 CO -0.05 0.70 0.06 1.25 -1.18 0.00 0.00 179.01 179.79 2aby h LEU 86 N 0.53 0.71 0.00 1.64 7.12 -0.93 0.39 115.31 124.77 2aby h LEU 86 Ca 0.09 -0.27 -0.04 0.00 0.13 0.00 0.00 57.88 57.79 2aby h LEU 86 Cb 0.55 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.49 2aby h LEU 86 CO 0.04 0.80 -0.49 0.24 -0.13 0.00 0.00 178.44 178.89 2aby h MET 87 N 0.59 0.00 0.09 1.25 2.86 -0.37 -3.23 114.93 116.12 2aby h MET 87 Ca 0.13 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.48 2aby h MET 87 Cb 0.40 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.09 2aby h MET 87 CO 0.01 0.15 -1.19 1.15 1.06 0.00 0.00 176.91 178.10 2aby h THR 88 N 0.00 1.28 0.00 2.22 2.02 0.24 0.29 112.91 118.96 2aby h THR 88 Ca -0.02 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.77 2aby h THR 88 Cb 1.16 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 2aby h THR 88 CO 0.02 0.73 0.00 1.17 0.37 0.00 0.00 175.52 177.81 2aby n LYS 89 N -3.82 0.08 -0.06 6.66 3.00 0.11 0.78 118.16 124.91 2aby n LYS 89 Ca -0.13 0.10 -0.07 0.00 -0.00 0.00 0.00 58.31 58.21 2aby n LYS 89 Cb 0.96 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 34.41 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 -1.45 0.00 -0.00 5.64 9.36 -1.20 -3.71 117.16 125.80 2aby n TYR 90 Ca 0.07 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.30 2aby n TYR 90 Cb 0.24 -0.53 -0.12 0.00 -0.63 0.00 0.00 39.34 38.31 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 -2.63 0.52 -0.12 2.98 -0.00 0.10 -3.82 115.22 112.25 2aby n HIS 91 Ca -0.21 0.17 -0.23 0.00 0.46 0.00 0.00 57.72 57.91 2aby n HIS 91 Cb 0.81 -0.92 -0.08 0.00 -0.12 0.00 0.00 29.99 29.68 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 -2.69 1.95 0.29 0.26 2.03 0.23 -4.37 116.55 114.25 2aby n ASP 92 Ca -0.13 0.35 0.19 0.00 0.52 0.00 0.00 54.79 55.72 2aby n ASP 92 Cb 0.83 -0.80 1.04 0.00 -0.72 0.00 0.00 41.12 41.46 2aby n ASP 92 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2aby h LEU 93 N -1.00 0.00 -0.88 -2.67 7.12 -1.45 -0.26 115.31 116.17 2aby h LEU 93 Ca -0.48 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.53 2aby h LEU 93 Cb 1.41 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.54 2aby h LEU 93 CO -0.29 0.00 0.00 2.29 -0.13 0.00 0.00 178.44 180.31 2aby n LYS 94 N -2.85 0.15 -0.31 1.25 -0.00 -1.25 -2.48 118.16 112.68 2aby n LYS 94 Ca -0.03 0.49 0.03 0.00 -0.00 0.00 0.00 58.31 58.81 2aby n LYS 94 Cb 0.08 -1.86 0.17 0.00 -0.00 0.00 0.00 35.03 33.42 2aby n LYS 94 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2aby h LYS 95 N 0.00 0.84 0.00 -1.58 1.63 -1.29 -2.87 116.57 113.29 2aby h LYS 95 Ca 0.00 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 2aby h LYS 95 Cb 0.21 -0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 31.59 2aby h LYS 95 CO 0.00 0.55 -0.45 1.04 -3.45 0.00 0.00 179.45 177.14 2aby n GLN 96 N -4.70 1.13 -4.44 1.90 6.02 -1.09 -5.06 117.38 111.15 2aby n GLN 96 Ca 0.14 -2.72 -0.23 0.00 -0.01 0.00 0.00 57.00 54.18 2aby n GLN 96 Cb 0.26 -1.25 -0.09 0.00 1.02 0.00 0.00 30.24 30.19 2aby n GLN 96 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2aby s GLY 97 N -2.77 2.40 0.02 1.08 0.00 -1.04 -5.15 107.32 101.86 2aby s GLY 97 Ca 0.33 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2aby s GLY 97 CO -0.05 -1.73 -0.03 -1.59 0.00 0.00 0.00 173.10 169.70 2aby s LYS 98 N -3.73 0.32 -0.07 2.90 0.00 -1.26 -4.78 119.74 113.12 2aby s LYS 98 Ca 0.30 -0.62 -0.07 0.00 0.00 0.00 0.00 55.97 55.58 2aby s LYS 98 Cb 0.04 0.11 0.02 0.00 0.00 0.00 0.00 37.83 37.99 2aby s LYS 98 CO 0.17 -0.05 0.19 -1.50 0.00 0.00 0.00 175.35 174.16 2aby s ILE 99 N -1.50 0.00 -0.01 3.79 2.07 -1.26 -4.60 121.20 119.69 2aby s ILE 99 Ca -0.16 -0.04 0.06 0.00 -1.41 0.00 0.00 60.65 59.10 2aby s ILE 99 Cb -0.10 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.19 2aby s ILE 99 CO -0.01 -0.02 -0.19 -0.54 -1.91 0.00 0.00 174.94 172.27 2aby s LYS 100 N 0.01 1.51 -0.74 3.50 1.02 -1.26 -5.05 119.74 118.74 2aby s LYS 100 Ca -0.01 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.20 2aby s LYS 100 Cb -0.02 -1.46 0.19 0.00 -0.52 0.00 0.00 37.83 36.03 2aby s LYS 100 CO 0.00 0.40 0.65 0.34 -0.92 0.00 0.00 175.35 175.82 2aby s ASP 101 N -0.43 6.31 0.69 2.83 2.15 -1.26 -4.75 116.67 122.20 2aby s ASP 101 Ca 0.07 -2.60 -0.12 0.00 0.43 0.00 0.00 52.55 50.33 2aby s ASP 101 Cb -0.07 -2.12 0.01 0.00 -0.30 0.00 0.00 42.92 40.44 2aby s ASP 101 CO -0.01 -0.56 1.07 -0.13 -0.17 0.00 0.00 175.17 175.38 2aby s ARG 102 N 0.31 2.83 0.23 4.34 1.81 -1.26 -5.00 118.95 122.22 2aby s ARG 102 Ca 0.16 1.10 -0.30 0.00 -1.72 0.00 0.00 55.73 54.97 2aby s ARG 102 Cb -0.15 -1.97 -0.09 0.00 -0.45 0.00 0.00 34.95 32.29 2aby s ARG 102 CO -0.06 -1.19 1.28 -1.25 -0.68 0.00 0.00 175.30 173.39 2aby s PRO 103 N -4.73 4.42 0.24 3.54 0.04 -1.26 -4.99 135.00 132.26 2aby s PRO 103 Ca 0.61 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.40 2aby s PRO 103 Cb -0.16 -3.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 2aby s PRO 103 CO 0.50 -0.17 1.27 0.54 0.04 0.00 0.00 177.00 179.18 2aby s VAL 104 N -0.31 3.17 0.17 -0.36 0.11 -1.26 -4.89 120.40 117.03 2aby s VAL 104 Ca 0.53 1.03 -0.19 0.00 -2.93 0.00 0.00 61.98 60.42 2aby s VAL 104 Cb -0.36 -3.66 -0.08 0.00 -1.53 0.00 0.00 36.38 30.75 2aby s VAL 104 CO 0.41 0.19 0.67 -0.54 -3.33 0.00 0.00 175.10 172.51 2aby s LYS 105 N -0.68 4.24 0.19 1.54 -0.14 -0.74 -4.78 119.74 119.36 2aby s LYS 105 Ca 0.53 0.82 -0.30 0.00 -1.36 0.00 0.00 55.97 55.66 2aby s LYS 105 Cb -0.36 -3.01 -0.08 0.00 -1.68 0.00 0.00 37.83 32.70 2aby s LYS 105 CO 0.42 0.48 0.93 -1.21 -0.76 0.00 0.00 175.35 175.21 2aby s GLU 106 N -1.70 4.78 -0.08 1.68 8.01 -1.26 0.65 118.70 130.78 2aby s GLU 106 Ca 0.39 1.45 -0.01 0.00 0.01 0.00 0.00 54.97 56.81 2aby s GLU 106 Cb -0.18 -3.31 -0.03 0.00 -4.31 0.00 0.00 34.13 26.30 2aby s GLU 106 CO 0.21 0.42 -0.03 0.08 0.01 0.00 0.00 175.26 175.96 2aby s VAL 107 N -0.79 4.08 0.50 2.63 1.01 -0.32 -4.87 120.40 122.64 2aby s VAL 107 Ca 0.42 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.10 2aby s VAL 107 Cb -0.25 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2aby s VAL 107 CO 0.31 0.60 0.15 -1.00 0.00 0.00 0.00 175.10 175.16 2aby s HIS 108 N -0.86 1.95 0.64 5.22 3.76 -1.26 -4.23 115.29 120.50 2aby s HIS 108 Ca 0.13 -0.85 -0.11 0.00 -0.15 0.00 0.00 55.06 54.08 2aby s HIS 108 Cb -0.11 -1.77 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 2aby s HIS 108 CO 0.02 0.02 1.04 -1.21 -0.85 0.00 0.00 174.74 173.76 2aby s GLU 109 N -3.99 3.45 -1.27 1.40 8.01 -1.26 -4.13 118.70 120.91 2aby s GLU 109 Ca 0.22 0.73 -0.03 0.00 0.01 0.00 0.00 54.97 55.89 2aby s GLU 109 Cb 0.01 -2.07 0.01 0.00 -4.31 0.00 0.00 34.13 27.77 2aby s GLU 109 CO 0.12 -0.67 1.04 0.39 0.01 0.00 0.00 175.26 176.16 2aby n GLU 110 N -2.81 -6.91 -2.69 1.61 4.71 -1.26 -4.92 120.64 108.36 2aby n GLU 110 Ca 0.06 0.82 -0.06 0.00 -0.01 0.00 0.00 57.16 57.97 2aby n GLU 110 Cb 0.54 -5.81 0.11 0.00 -1.01 0.00 0.00 31.44 25.27 2aby n GLU 110 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2aby n TYR 111 N -4.45 -1.93 -1.47 -0.32 4.01 -1.26 -5.14 117.16 106.59 2aby n TYR 111 Ca -0.18 -1.95 -0.38 0.00 -0.16 0.00 0.00 57.90 55.24 2aby n TYR 111 Cb 0.63 1.37 0.05 0.00 -0.31 0.00 0.00 39.34 41.07 2aby n TYR 111 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2aby n ASP 112 N -0.81 -0.59 0.00 7.72 5.68 -1.26 -4.93 116.55 122.35 2aby n ASP 112 Ca -0.06 0.73 0.00 0.00 -0.50 0.00 0.00 54.79 54.96 2aby n ASP 112 Cb 0.85 -1.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2aby n LEU 113 N -0.01 0.28 -0.00 -2.12 7.99 -1.26 -4.86 117.00 117.02 2aby n LEU 113 Ca 0.12 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 55.93 2aby n LEU 113 Cb 0.48 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.65 2aby n LEU 113 CO 0.50 0.00 -0.79 0.79 -1.51 0.00 0.00 177.39 176.38 2aby n TRP 114 N -0.14 1.16 -2.72 -1.77 7.02 -1.26 -5.03 117.44 114.70 2aby n TRP 114 Ca 0.00 0.27 -0.09 0.00 -1.02 0.00 0.00 57.50 56.66 2aby n TRP 114 Cb 0.00 -1.16 0.04 0.00 -2.42 0.00 0.00 31.31 27.77 2aby n TRP 114 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2aby n GLU 115 N -3.40 -1.48 0.00 -0.99 -0.58 -1.26 -4.82 120.64 108.11 2aby n GLU 115 Ca -0.30 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 2aby n GLU 115 Cb 1.05 -4.56 0.00 0.00 -0.57 0.00 0.00 31.44 27.36 2aby n GLU 115 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2aby n ASP 116 N -2.52 0.00 0.05 1.62 2.03 -1.26 -4.92 116.55 111.54 2aby n ASP 116 Ca -0.04 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.25 2aby n ASP 116 Cb 0.57 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.96 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 -0.13 0.00 -0.67 0.13 -1.89 -3.34 132.00 126.11 2aby h PRO 117 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2aby h PRO 117 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2aby h PRO 117 CO 0.00 -0.08 -0.01 0.44 -0.23 0.00 0.00 178.00 178.12 2aby n ILE 118 N -2.60 0.29 0.30 -3.56 -0.00 -1.26 -3.20 119.36 109.33 2aby n ILE 118 Ca -0.02 -0.14 0.19 0.00 -0.00 0.00 0.00 62.75 62.78 2aby n ILE 118 Cb 0.05 -0.53 1.01 0.00 -0.00 0.00 0.00 39.64 40.17 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 7.01 -1.92 -3.37 115.95 121.96 2aby h TRP 119 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2aby h TRP 119 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.68 2aby h TRP 119 CO 0.00 0.00 0.00 0.94 -2.79 0.00 0.00 178.44 176.59 2aby n GLN 120 N -3.41 0.00 -3.31 2.65 7.27 -1.22 -4.92 117.38 114.44 2aby n GLN 120 Ca -0.02 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.97 2aby n GLN 120 Cb 0.17 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.83 2aby n GLN 120 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 2aby n TYR 121 N -2.03 -1.92 0.00 3.69 9.36 -1.19 -5.14 117.16 119.93 2aby n TYR 121 Ca 0.00 -1.60 0.00 0.00 3.32 0.00 0.00 57.90 59.62 2aby n TYR 121 Cb 0.00 0.68 0.00 0.00 -0.63 0.00 0.00 39.34 39.39 2aby n TYR 121 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52