#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oog s THR 2 N 0.00 2.82 0.19 1.12 -4.23 -1.26 -4.21 115.64 110.08 1oog s THR 2 Ca 0.00 0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.66 1oog s THR 2 Cb 0.00 -3.06 0.12 0.00 1.34 0.00 0.00 72.50 70.90 1oog s THR 2 CO 0.00 -0.35 1.86 -0.03 -0.54 0.00 0.00 174.62 175.56 1oog h MET 3 N -1.12 0.84 -0.48 3.99 4.05 -1.99 -0.02 114.93 120.20 1oog h MET 3 Ca -0.47 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 58.91 1oog h MET 3 Cb 1.28 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.87 1oog h MET 3 CO 0.61 0.56 0.31 1.49 0.23 0.00 0.00 176.91 180.10 1oog h GLU 4 N 0.86 0.61 -0.84 0.39 4.81 -2.00 -0.59 114.58 117.82 1oog h GLU 4 Ca 0.24 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1oog h GLU 4 Cb -0.08 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 1oog h GLU 4 CO -0.06 0.40 0.44 1.96 -0.73 0.00 0.00 179.01 181.02 1oog h GLN 5 N 0.63 1.18 0.02 1.92 4.20 -1.83 -2.55 115.11 118.68 1oog h GLN 5 Ca 0.18 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1oog h GLN 5 Cb -0.04 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.51 1oog h GLN 5 CO -0.06 0.88 -0.01 0.35 -0.67 0.00 0.00 178.83 179.33 1oog h PHE 6 N 1.18 -0.03 -0.82 2.96 3.57 -0.38 -0.51 116.94 122.92 1oog h PHE 6 Ca 0.29 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.81 1oog h PHE 6 Cb 0.06 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1oog h PHE 6 CO 0.01 0.05 0.53 -0.07 -2.23 0.00 0.00 178.31 176.60 1oog h LEU 7 N -0.09 0.90 -0.84 0.59 3.38 -0.99 -1.80 115.31 116.45 1oog h LEU 7 Ca -0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1oog h LEU 7 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1oog h LEU 7 CO 0.00 0.63 -0.35 0.74 0.09 0.00 0.00 178.44 179.55 1oog h THR 8 N 1.06 1.29 -0.05 0.22 2.02 -1.33 -2.91 112.91 113.20 1oog h THR 8 Ca 0.32 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1oog h THR 8 Cb -0.05 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1oog h THR 8 CO -0.09 0.45 0.02 0.77 0.37 0.00 0.00 175.52 177.04 1oog h SER 9 N 0.37 0.06 -0.61 4.18 4.64 -0.22 -2.15 113.55 119.82 1oog h SER 9 Ca 0.04 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.41 1oog h SER 9 Cb 0.80 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.82 1oog h SER 9 CO 0.06 0.06 0.33 -0.07 -0.87 0.00 0.00 176.83 176.35 1oog h LEU 10 N 0.07 0.48 -0.85 5.97 3.38 -1.27 0.14 115.31 123.24 1oog h LEU 10 Ca 0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1oog h LEU 10 Cb 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1oog h LEU 10 CO -0.00 0.32 -0.10 0.44 0.09 0.00 0.00 178.44 179.19 1oog h ASP 11 N 0.62 0.73 -0.45 -0.43 3.32 -1.54 -1.86 116.42 116.81 1oog h ASP 11 Ca 0.27 -0.21 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 1oog h ASP 11 Cb 0.17 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1oog h ASP 11 CO -0.17 0.86 -0.27 0.24 -1.72 0.00 0.00 179.24 178.18 1oog h MET 12 N 0.68 0.98 -0.20 3.56 2.86 -1.12 -1.53 114.93 120.17 1oog h MET 12 Ca 0.12 -0.45 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 1oog h MET 12 Cb 0.56 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1oog h MET 12 CO 0.03 1.12 -0.05 0.82 1.06 0.00 0.00 176.91 179.89 1oog h ILE 13 N 0.83 1.29 -0.82 -1.22 2.04 -0.95 -2.84 117.51 115.84 1oog h ILE 13 Ca 0.10 -1.04 0.12 0.00 1.00 0.00 0.00 64.86 65.03 1oog h ILE 13 Cb 0.85 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 38.43 1oog h ILE 13 CO 0.08 0.32 0.45 -0.09 0.00 0.00 0.00 178.15 178.90 1oog h ARG 14 N 0.10 0.69 0.00 2.37 2.43 -1.14 -1.69 114.38 117.14 1oog h ARG 14 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1oog h ARG 14 Cb 0.51 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1oog h ARG 14 CO 0.02 0.45 -0.03 0.66 -1.51 0.00 0.00 179.97 179.56 1oog h SER 15 N 0.71 0.00 0.57 -3.80 4.64 -1.03 0.82 113.55 115.45 1oog h SER 15 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1oog h SER 15 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1oog h SER 15 CO -0.29 0.03 -0.40 0.61 -0.87 0.00 0.00 176.83 175.90 1oog n GLY 16 N -0.69 -1.26 0.59 -0.77 0.00 -0.64 -4.51 105.19 97.92 1oog n GLY 16 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1oog n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oog h ALA 18 N 0.00 1.55 0.00 0.00 0.00 -1.12 -1.79 119.26 117.90 1oog h ALA 18 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1oog h ALA 18 Cb 0.93 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1oog h ALA 18 CO 0.00 0.18 0.00 -1.35 0.00 0.00 0.00 179.25 178.08 1oog h PRO 19 N 0.96 0.00 0.00 0.00 0.11 -1.81 -1.93 132.00 129.33 1oog h PRO 19 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1oog h PRO 19 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1oog h PRO 19 CO -0.29 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.13 1oog n LYS 20 N -2.49 0.08 -4.38 1.05 5.02 -0.67 -4.91 118.16 111.85 1oog n LYS 20 Ca -0.01 0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 56.20 1oog n LYS 20 Cb 0.09 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.39 1oog n LYS 20 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1oog s PHE 21 N -3.04 1.76 -0.38 2.13 0.40 -0.73 -5.11 117.98 113.00 1oog s PHE 21 Ca 0.12 -1.02 -0.10 0.00 -0.60 0.00 0.00 56.93 55.32 1oog s PHE 21 Cb 0.16 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.63 1oog s PHE 21 CO 0.51 -0.11 0.20 0.21 0.70 0.00 0.00 175.22 176.73 1oog s LYS 22 N -3.93 2.76 0.06 0.44 2.20 -1.26 -5.00 119.74 115.00 1oog s LYS 22 Ca 0.36 -1.15 0.05 0.00 -0.36 0.00 0.00 55.97 54.86 1oog s LYS 22 Cb 0.08 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1oog s LYS 22 CO 0.14 -0.74 -0.13 -0.51 -0.36 0.00 0.00 175.35 173.75 1oog s LEU 23 N 1.51 2.26 -0.10 5.43 1.43 -1.26 -4.70 118.68 123.25 1oog s LEU 23 Ca 0.01 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 1oog s LEU 23 Cb -0.20 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 1oog s LEU 23 CO 0.05 -0.09 0.37 -0.54 0.23 0.00 0.00 176.35 176.38 1oog s LYS 24 N -1.63 4.15 0.25 1.70 1.02 -1.26 -4.99 119.74 118.98 1oog s LYS 24 Ca -0.03 0.27 -0.04 0.00 0.02 0.00 0.00 55.97 56.19 1oog s LYS 24 Cb -0.10 -3.36 0.41 0.00 -0.52 0.00 0.00 37.83 34.26 1oog s LYS 24 CO 0.02 0.36 1.80 1.15 -0.92 0.00 0.00 175.35 177.75 1oog h THR 25 N 4.41 0.87 -0.61 2.17 2.02 -2.00 -1.04 112.91 118.72 1oog h THR 25 Ca -0.44 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.51 1oog h THR 25 Cb 1.19 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1oog h THR 25 CO 0.71 0.13 0.40 1.05 0.37 0.00 0.00 175.52 178.19 1oog h GLU 26 N 0.74 0.73 -0.24 6.66 9.09 -1.99 0.36 114.58 129.92 1oog h GLU 26 Ca 0.40 -0.04 -0.18 0.00 0.05 0.00 0.00 59.36 59.59 1oog h GLU 26 Cb 0.42 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1oog h GLU 26 CO -0.27 0.48 -0.55 -0.44 0.05 0.00 0.00 179.01 178.28 1oog h ASP 27 N 0.75 0.91 -0.66 3.06 3.32 -1.62 -2.39 116.42 119.79 1oog h ASP 27 Ca 0.24 -0.56 -0.08 0.00 0.02 0.00 0.00 57.03 56.65 1oog h ASP 27 Cb 0.03 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1oog h ASP 27 CO -0.06 1.30 0.08 -0.07 -1.72 0.00 0.00 179.24 178.77 1oog h LEU 28 N 0.55 1.06 -0.78 1.55 3.38 -0.88 -1.66 115.31 118.54 1oog h LEU 28 Ca -0.00 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1oog h LEU 28 Cb 1.17 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1oog h LEU 28 CO 0.12 1.07 0.49 0.44 0.09 0.00 0.00 178.44 180.65 1oog h ASP 29 N 1.02 0.81 -0.28 -0.43 3.32 -0.89 -0.46 116.42 119.51 1oog h ASP 29 Ca 0.20 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1oog h ASP 29 Cb 0.47 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1oog h ASP 29 CO 0.02 0.55 0.02 0.03 -1.72 0.00 0.00 179.24 178.14 1oog h ARG 30 N 0.95 0.48 -0.59 3.56 3.08 -1.04 -2.70 114.38 118.13 1oog h ARG 30 Ca 0.31 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1oog h ARG 30 Cb 0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1oog h ARG 30 CO -0.12 0.62 0.32 -0.07 -1.07 0.00 0.00 179.97 179.66 1oog h LEU 31 N 0.28 0.72 -1.96 3.04 3.38 -1.11 -0.03 115.31 119.64 1oog h LEU 31 Ca 0.08 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1oog h LEU 31 Cb 0.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1oog h LEU 31 CO 0.01 0.58 0.09 -0.09 0.09 0.00 0.00 178.44 179.12 1oog h ARG 32 N 0.82 0.06 -0.55 1.13 9.65 -0.76 -0.00 114.38 124.72 1oog h ARG 32 Ca 0.21 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1oog h ARG 32 Cb 0.02 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1oog h ARG 32 CO -0.03 0.04 0.00 1.33 2.80 0.00 0.00 179.97 184.10 1oog n VAL 33 N -4.51 1.94 -1.23 0.20 0.24 -0.97 -3.11 118.33 110.88 1oog n VAL 33 Ca -0.00 -1.31 -0.05 0.00 -2.04 0.00 0.00 64.34 60.94 1oog n VAL 33 Cb 0.17 0.06 -0.02 0.00 -1.47 0.00 0.00 33.84 32.58 1oog n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1oog n GLY 34 N 0.76 0.71 3.34 7.63 0.00 -0.04 -4.63 105.19 112.95 1oog n GLY 34 Ca 0.24 -0.83 -0.46 0.00 0.00 0.00 0.00 46.02 44.98 1oog n GLY 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1oog s ASP 35 N -2.93 6.39 -0.18 1.61 -1.08 -0.06 -4.85 116.67 115.56 1oog s ASP 35 Ca 0.00 -1.99 0.16 0.00 -0.52 0.00 0.00 52.55 50.20 1oog s ASP 35 Cb 0.00 -2.24 0.76 0.00 -1.46 0.00 0.00 42.92 39.98 1oog s ASP 35 CO 0.00 -0.85 1.68 0.49 0.52 0.00 0.00 175.17 177.01 1oog n PHE 36 N 5.20 1.75 -1.56 -5.34 3.01 -1.26 -3.74 117.46 115.52 1oog n PHE 36 Ca -0.02 -0.69 -0.33 0.00 1.01 0.00 0.00 57.45 57.42 1oog n PHE 36 Cb 0.43 -0.39 -0.05 0.00 -0.01 0.00 0.00 39.48 39.47 1oog n PHE 36 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1oog n ASN 37 N 0.76 7.49 -3.50 4.37 3.02 -1.26 -4.81 115.26 121.33 1oog n ASN 37 Ca 0.26 -2.91 -0.15 0.00 -0.03 0.00 0.00 54.58 51.76 1oog n ASN 37 Cb 1.05 -1.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.78 1oog n ASN 37 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1oog s PHE 38 N -0.09 -0.56 0.02 3.10 -0.12 -1.26 -5.14 117.98 113.94 1oog s PHE 38 Ca 0.61 0.66 -0.30 0.00 -0.05 0.00 0.00 56.93 57.85 1oog s PHE 38 Cb 0.25 0.45 -0.06 0.00 -0.63 0.00 0.00 43.02 43.02 1oog s PHE 38 CO -0.10 -0.71 1.43 -2.14 -0.05 0.00 0.00 175.22 173.65 1oog s PRO 39 N -2.47 4.28 0.27 1.99 0.02 -1.26 -5.00 135.00 132.82 1oog s PRO 39 Ca -0.05 2.02 -0.14 0.00 0.02 0.00 0.00 61.00 62.86 1oog s PRO 39 Cb -0.01 -3.54 -0.08 0.00 0.02 0.00 0.00 34.50 30.89 1oog s PRO 39 CO -0.02 -0.58 0.66 -1.25 -0.33 0.00 0.00 177.00 175.48 1oog s PRO 40 N 2.29 3.96 0.77 5.54 0.04 -1.26 -5.08 135.00 141.25 1oog s PRO 40 Ca 0.65 0.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 1oog s PRO 40 Cb -0.33 -2.59 0.05 0.00 0.04 0.00 0.00 34.50 31.68 1oog s PRO 40 CO 0.28 0.26 1.10 -1.54 0.04 0.00 0.00 177.00 177.13 1oog s SER 41 N -2.19 4.78 0.23 6.66 1.04 -1.26 -4.92 113.70 118.04 1oog s SER 41 Ca 0.49 1.25 -0.08 0.00 0.48 0.00 0.00 55.95 58.09 1oog s SER 41 Cb -0.12 -2.00 0.22 0.00 0.10 0.00 0.00 66.02 64.23 1oog s SER 41 CO 0.19 -1.78 1.89 -0.61 0.98 0.00 0.00 173.24 173.91 1oog h GLN 42 N -0.96 1.10 -0.67 4.02 4.15 -1.98 -1.81 115.11 118.96 1oog h GLN 42 Ca -0.46 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 58.91 1oog h GLN 42 Cb 1.26 -0.25 -0.04 0.00 0.21 0.00 0.00 27.48 28.67 1oog h GLN 42 CO 0.61 0.72 0.43 -0.44 -1.93 0.00 0.00 178.83 178.22 1oog h ASP 43 N 1.13 0.73 -0.59 -0.69 5.19 -1.93 -0.18 116.42 120.07 1oog h ASP 43 Ca 0.32 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.66 1oog h ASP 43 Cb -0.08 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.23 1oog h ASP 43 CO -0.09 0.52 0.15 0.25 -3.12 0.00 0.00 179.24 176.96 1oog h LEU 44 N 0.87 0.92 -0.46 1.55 5.85 -1.73 0.76 115.31 123.07 1oog h LEU 44 Ca 0.25 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1oog h LEU 44 Cb -0.06 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1oog h LEU 44 CO -0.07 0.90 0.00 0.24 -0.34 0.00 0.00 178.44 179.17 1oog h MET 45 N 0.94 0.81 0.00 1.25 2.86 -0.88 -1.98 114.93 117.93 1oog h MET 45 Ca 0.20 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 1oog h MET 45 Cb 0.34 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1oog h MET 45 CO 0.00 0.86 -0.35 0.00 1.06 0.00 0.00 176.91 178.49 1oog h TYR 47 N 0.00 0.85 -0.37 0.00 3.20 -0.49 -0.06 116.97 120.10 1oog h TYR 47 Ca -0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1oog h TYR 47 Cb 0.64 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1oog h TYR 47 CO 0.00 0.51 0.01 1.79 -1.64 0.00 0.00 178.16 178.83 1oog h THR 48 N 0.90 1.21 -0.34 1.81 1.35 -0.58 -1.44 112.91 115.82 1oog h THR 48 Ca 0.27 -0.81 -0.03 0.00 -0.55 0.00 0.00 66.41 65.29 1oog h THR 48 Cb -0.04 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 67.28 1oog h THR 48 CO -0.08 0.28 0.11 0.50 -0.25 0.00 0.00 175.52 176.08 1oog h LYS 49 N 0.55 0.52 -0.64 4.72 3.64 -0.92 -1.52 116.57 122.92 1oog h LYS 49 Ca 0.12 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1oog h LYS 49 Cb 0.34 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1oog h LYS 49 CO 0.01 0.55 0.35 0.00 -2.27 0.00 0.00 179.45 178.08 1oog h VAL 51 N 0.64 1.26 -0.11 0.00 2.07 -1.14 -1.89 116.25 117.08 1oog h VAL 51 Ca 0.29 -0.91 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 1oog h VAL 51 Cb 0.19 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1oog h VAL 51 CO -0.19 0.35 -0.59 0.28 0.02 0.00 0.00 177.57 177.44 1oog h SER 52 N 1.00 0.41 -0.61 0.57 0.02 -0.83 -2.01 113.55 112.09 1oog h SER 52 Ca 0.22 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1oog h SER 52 Cb 0.33 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1oog h SER 52 CO -0.00 0.91 0.28 -0.07 -1.14 0.00 0.00 176.83 176.81 1oog h LEU 53 N 0.27 0.82 -1.02 5.07 3.38 -0.77 -0.88 115.31 122.18 1oog h LEU 53 Ca -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1oog h LEU 53 Cb 1.12 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1oog h LEU 53 CO 0.10 0.73 0.44 -0.03 0.09 0.00 0.00 178.44 179.77 1oog h MET 54 N 0.84 1.13 0.00 1.13 4.05 -1.06 -2.23 114.93 118.79 1oog h MET 54 Ca 0.21 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1oog h MET 54 Cb 0.14 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1oog h MET 54 CO -0.02 0.83 0.00 0.00 0.23 0.00 0.00 176.91 177.95 1oog h ALA 55 N 1.35 1.00 -0.06 0.39 0.00 -0.93 -3.47 119.26 117.54 1oog h ALA 55 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1oog h ALA 55 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1oog h ALA 55 CO -0.04 0.00 -0.02 0.41 0.00 0.00 0.00 179.25 179.59 1oog n GLY 56 N 0.24 0.50 0.03 0.00 0.00 -0.38 -4.93 105.19 100.65 1oog n GLY 56 Ca 0.01 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1oog n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oog n THR 57 N -2.91 0.16 -4.21 2.61 -2.24 -0.94 -4.73 114.28 102.02 1oog n THR 57 Ca -0.01 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 1oog n THR 57 Cb 0.07 0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.22 1oog n THR 57 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1oog s VAL 58 N -3.08 0.86 0.47 2.28 -7.23 -1.25 -1.47 120.40 110.99 1oog s VAL 58 Ca 0.09 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.32 1oog s VAL 58 Cb 0.16 -1.83 0.08 0.00 0.56 0.00 0.00 36.38 35.35 1oog s VAL 58 CO 0.70 -0.75 0.65 -0.46 -0.31 0.00 0.00 175.10 174.93 1oog n ASN 59 N -0.14 1.36 0.12 4.85 0.23 -0.96 -4.63 115.26 116.08 1oog n ASN 59 Ca -0.10 -2.03 0.12 0.00 -0.53 0.00 0.00 54.58 52.04 1oog n ASN 59 Cb 0.61 -0.38 0.47 0.00 -2.08 0.00 0.00 39.78 38.40 1oog n ASN 59 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1oog n LYS 60 N -2.10 0.20 -0.03 -3.83 5.02 -1.26 -0.64 118.16 115.53 1oog n LYS 60 Ca 0.12 0.36 0.12 0.00 -2.02 0.00 0.00 58.31 56.89 1oog n LYS 60 Cb 0.44 -1.84 0.56 0.00 -0.02 0.00 0.00 35.03 34.17 1oog n LYS 60 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1oog n LYS 61 N -2.22 1.42 -1.04 1.97 5.02 -1.26 -4.89 118.16 117.16 1oog n LYS 61 Ca 0.03 -0.62 -0.01 0.00 -2.02 0.00 0.00 58.31 55.68 1oog n LYS 61 Cb 0.28 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 33.87 1oog n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oog n GLY 62 N 1.04 0.52 3.68 0.72 0.00 0.19 -4.14 105.19 107.20 1oog n GLY 62 Ca 0.18 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1oog n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oog s GLU 63 N -1.39 4.38 0.10 1.61 2.02 -1.26 -4.21 118.70 119.95 1oog s GLU 63 Ca 0.00 1.28 -0.30 0.00 0.02 0.00 0.00 54.97 55.97 1oog s GLU 63 Cb 0.00 -3.56 -0.06 0.00 0.10 0.00 0.00 34.13 30.62 1oog s GLU 63 CO 0.00 -0.33 0.99 0.12 0.02 0.00 0.00 175.26 176.06 1oog s PHE 64 N 2.10 3.75 -0.53 1.61 5.36 -1.26 -2.28 117.98 126.73 1oog s PHE 64 Ca 0.45 1.74 -0.04 0.00 -0.96 0.00 0.00 56.93 58.13 1oog s PHE 64 Cb -0.18 -3.10 0.14 0.00 -0.34 0.00 0.00 43.02 39.54 1oog s PHE 64 CO 0.16 0.03 0.35 1.21 -1.46 0.00 0.00 175.22 175.50 1oog s ASN 65 N 0.19 5.33 0.06 6.13 3.84 -0.54 -5.00 114.94 124.95 1oog s ASN 65 Ca 0.48 -2.45 -0.25 0.00 0.21 0.00 0.00 52.86 50.85 1oog s ASN 65 Cb -0.24 -1.87 -0.17 0.00 -0.55 0.00 0.00 41.25 38.43 1oog s ASN 65 CO 0.30 -0.47 1.59 0.00 -2.79 0.00 0.00 177.10 175.73 1oog h ALA 66 N 7.57 -0.21 -0.75 1.71 0.00 -1.90 0.14 119.26 125.81 1oog h ALA 66 Ca -0.07 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1oog h ALA 66 Cb 1.00 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1oog h ALA 66 CO 0.72 -0.56 0.39 -1.35 0.00 0.00 0.00 179.25 178.44 1oog h PRO 67 N -0.33 0.62 -0.48 0.00 0.11 -1.99 -1.00 132.00 128.94 1oog h PRO 67 Ca -0.02 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 1oog h PRO 67 Cb 0.26 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1oog h PRO 67 CO 0.04 0.41 -0.18 -0.22 -0.21 0.00 0.00 178.00 177.84 1oog h LYS 68 N 0.64 0.94 -0.81 1.05 3.64 -1.85 -1.82 116.57 118.35 1oog h LYS 68 Ca 0.37 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1oog h LYS 68 Cb 0.40 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1oog h LYS 68 CO -0.28 1.04 0.44 0.00 -2.27 0.00 0.00 179.45 178.38 1oog h ALA 69 N 0.97 1.04 -0.55 5.00 0.00 -0.35 0.09 119.26 125.45 1oog h ALA 69 Ca 0.12 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1oog h ALA 69 Cb 0.73 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1oog h ALA 69 CO 0.06 0.56 0.04 -0.07 0.00 0.00 0.00 179.25 179.83 1oog h LEU 70 N 1.13 0.89 -0.99 0.00 3.38 -0.89 -0.89 115.31 117.94 1oog h LEU 70 Ca 0.29 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1oog h LEU 70 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1oog h LEU 70 CO -0.05 0.93 -0.49 0.00 0.09 0.00 0.00 178.44 178.92 1oog h ALA 71 N 1.17 1.14 0.00 1.53 0.00 -0.99 -3.15 119.26 118.96 1oog h ALA 71 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1oog h ALA 71 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1oog h ALA 71 CO 0.02 0.62 -0.38 1.96 0.00 0.00 0.00 179.25 181.47 1oog h GLN 72 N 0.00 0.00 -0.85 0.00 1.08 -0.12 -3.40 115.11 111.81 1oog h GLN 72 Ca -0.00 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.41 1oog h GLN 72 Cb 0.90 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.18 1oog h GLN 72 CO 0.06 0.00 0.11 -0.07 -0.95 0.00 0.00 178.83 177.98 1oog h LEU 73 N 0.00 -0.22 -2.55 1.46 3.38 -1.16 0.24 115.31 116.46 1oog h LEU 73 Ca 0.00 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1oog h LEU 73 Cb 0.95 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1oog h LEU 73 CO 0.00 -0.20 0.12 -0.65 0.09 0.00 0.00 178.44 177.80 1oog h PRO 74 N 0.13 0.00 -0.11 1.13 0.11 -1.81 0.22 132.00 131.67 1oog h PRO 74 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1oog h PRO 74 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1oog h PRO 74 CO -0.71 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.80 1oog n HIS 75 N -3.23 0.12 -0.02 0.65 8.25 0.83 -4.18 115.22 117.64 1oog n HIS 75 Ca -0.02 -0.06 -0.03 0.00 -0.26 0.00 0.00 57.72 57.35 1oog n HIS 75 Cb 0.20 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 1oog n HIS 75 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1oog n LEU 76 N 0.94 2.73 -4.22 2.41 4.77 -0.08 -5.06 117.00 118.50 1oog n LEU 76 Ca 0.17 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.98 1oog n LEU 76 Cb 0.50 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 1oog n LEU 76 CO 0.15 0.53 -0.42 0.68 -1.33 0.00 0.00 177.39 177.00 1oog s VAL 77 N -2.09 1.12 0.72 4.08 -7.23 -0.36 -4.99 120.40 111.65 1oog s VAL 77 Ca -0.06 -1.81 -0.11 0.00 -1.81 0.00 0.00 61.98 58.19 1oog s VAL 77 Cb 0.02 -1.57 0.02 0.00 0.56 0.00 0.00 36.38 35.40 1oog s VAL 77 CO 0.10 -0.59 1.07 -2.16 -0.31 0.00 0.00 175.10 173.21 1oog s PRO 78 N -3.10 2.74 0.32 4.82 0.04 -1.26 -4.58 135.00 133.98 1oog s PRO 78 Ca 0.10 0.86 0.09 0.00 0.04 0.00 0.00 61.00 62.09 1oog s PRO 78 Cb -0.01 -1.98 0.89 0.00 0.04 0.00 0.00 34.50 33.44 1oog s PRO 78 CO 0.01 -1.21 1.72 -1.35 0.04 0.00 0.00 177.00 176.20 1oog h PRO 79 N -0.80 0.52 -0.36 0.56 0.11 -1.96 -0.22 132.00 129.86 1oog h PRO 79 Ca -0.45 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.74 1oog h PRO 79 Cb 1.23 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1oog h PRO 79 CO 0.58 0.34 0.31 0.93 -0.21 0.00 0.00 178.00 179.95 1oog h GLU 80 N 0.53 0.00 -0.14 1.05 3.07 -1.93 -1.96 114.58 115.20 1oog h GLU 80 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 1oog h GLU 80 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1oog h GLU 80 CO -0.50 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 175.78 1oog n MET 81 N -4.06 1.42 -0.06 2.33 2.81 -0.11 -4.72 117.12 114.73 1oog n MET 81 Ca 0.06 -1.50 -0.10 0.00 -1.81 0.00 0.00 57.70 54.35 1oog n MET 81 Cb 0.48 -1.24 -0.04 0.00 -0.71 0.00 0.00 33.22 31.72 1oog n MET 81 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1oog h MET 82 N 2.15 0.30 -0.50 0.03 2.86 -1.12 -1.51 114.93 117.14 1oog h MET 82 Ca 0.00 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1oog h MET 82 Cb 0.57 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1oog h MET 82 CO 0.00 0.29 -0.11 1.49 1.06 0.00 0.00 176.91 179.63 1oog h GLU 83 N 0.23 0.96 -0.93 1.72 4.57 -1.84 0.23 114.58 119.52 1oog h GLU 83 Ca 0.07 -0.37 0.01 0.00 -1.18 0.00 0.00 59.36 57.90 1oog h GLU 83 Cb 0.08 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 1oog h GLU 83 CO -0.01 1.03 0.61 1.98 -1.18 0.00 0.00 179.01 181.44 1oog h MET 84 N 0.82 1.23 -0.36 1.92 4.05 -1.87 -0.68 114.93 120.05 1oog h MET 84 Ca 0.13 -0.08 -0.09 0.00 -0.28 0.00 0.00 59.70 59.38 1oog h MET 84 Cb 0.67 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1oog h MET 84 CO 0.05 0.82 -0.13 0.77 0.23 0.00 0.00 176.91 178.64 1oog h SER 85 N 1.26 0.75 -0.79 1.39 0.02 -0.79 -1.49 113.55 113.90 1oog h SER 85 Ca 0.34 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1oog h SER 85 Cb -0.14 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.15 1oog h SER 85 CO -0.07 0.96 0.52 0.03 -1.14 0.00 0.00 176.83 177.13 1oog h ARG 86 N 0.53 1.00 -0.75 3.45 3.08 -0.29 0.70 114.38 122.10 1oog h ARG 86 Ca 0.09 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1oog h ARG 86 Cb 0.66 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1oog h ARG 86 CO 0.04 0.66 0.29 -0.22 -1.07 0.00 0.00 179.97 179.68 1oog h LYS 87 N 1.03 1.12 -0.18 0.04 3.64 -0.99 -2.30 116.57 118.93 1oog h LYS 87 Ca 0.30 -0.21 -0.16 0.00 -1.27 0.00 0.00 60.65 59.31 1oog h LYS 87 Cb -0.07 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1oog h LYS 87 CO -0.08 0.92 -0.55 0.77 -2.27 0.00 0.00 179.45 178.24 1oog h SER 88 N 1.08 0.60 -0.25 4.20 0.02 -0.76 -1.59 113.55 116.85 1oog h SER 88 Ca 0.25 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1oog h SER 88 Cb 0.22 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 1oog h SER 88 CO -0.02 1.03 -0.06 0.58 -1.14 0.00 0.00 176.83 177.21 1oog h VAL 89 N 0.42 0.75 -0.65 2.27 2.07 -0.66 -0.61 116.25 119.83 1oog h VAL 89 Ca 0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1oog h VAL 89 Cb 1.08 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1oog h VAL 89 CO 0.10 0.00 0.11 -0.33 0.02 0.00 0.00 177.57 177.48 1oog h GLU 90 N -0.00 1.05 0.00 1.57 4.39 -1.31 -1.12 114.58 119.16 1oog h GLU 90 Ca 0.12 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 1oog h GLU 90 Cb 0.18 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1oog h GLU 90 CO -0.26 0.96 -0.36 0.00 -1.16 0.00 0.00 179.01 178.20 1oog h ALA 91 N 1.12 0.98 -0.22 3.43 0.00 -0.96 -3.27 119.26 120.33 1oog h ALA 91 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1oog h ALA 91 Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1oog h ALA 91 CO 0.01 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1oog h ARG 93 N 1.51 0.00 -0.13 0.00 0.11 -1.26 -2.88 114.38 111.73 1oog h ARG 93 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1oog h ARG 93 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1oog h ARG 93 CO 0.00 0.15 0.00 -0.25 0.10 0.00 0.00 179.97 179.97 1oog n ASP 94 N -3.74 2.55 -0.33 0.08 8.00 -1.26 -4.57 116.55 117.27 1oog n ASP 94 Ca -0.02 -1.74 0.07 0.00 0.71 0.00 0.00 54.79 53.81 1oog n ASP 94 Cb 0.26 -0.07 0.23 0.00 -0.02 0.00 0.00 41.12 41.52 1oog n ASP 94 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1oog h THR 95 N 3.08 0.85 -0.00 -3.53 2.02 -1.83 -1.61 112.91 111.89 1oog h THR 95 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1oog h THR 95 Cb 0.70 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1oog h THR 95 CO 0.00 0.15 0.00 1.12 0.37 0.00 0.00 175.52 177.17 1oog h HIS 96 N 0.85 0.00 0.00 3.16 2.07 -1.80 -2.31 115.15 117.12 1oog h HIS 96 Ca 0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.00 1oog h HIS 96 Cb 0.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 1oog h HIS 96 CO -0.03 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.46 1oog n LYS 97 N -3.60 0.16 0.00 5.12 5.02 -0.60 -2.61 118.16 121.64 1oog n LYS 97 Ca -0.03 0.41 0.13 0.00 -2.02 0.00 0.00 58.31 56.80 1oog n LYS 97 Cb 0.08 -1.81 0.44 0.00 -0.02 0.00 0.00 35.03 33.72 1oog n LYS 97 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1oog n GLN 98 N -2.10 0.19 -4.24 1.97 7.27 -0.87 -4.90 117.38 114.69 1oog n GLN 98 Ca 0.02 -0.08 -0.19 0.00 0.07 0.00 0.00 57.00 56.82 1oog n GLN 98 Cb 0.21 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.24 1oog n GLN 98 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1oog s PHE 99 N -2.87 1.47 -0.16 3.69 0.40 -1.07 -5.07 117.98 114.37 1oog s PHE 99 Ca 0.16 -0.50 0.14 0.00 -0.60 0.00 0.00 56.93 56.13 1oog s PHE 99 Cb 0.19 -0.78 -0.20 0.00 0.51 0.00 0.00 43.02 42.73 1oog s PHE 99 CO 0.59 0.16 0.05 1.63 0.70 0.00 0.00 175.22 178.35 1oog n LYS 100 N 0.77 1.32 -2.98 0.44 5.02 -1.26 -4.87 118.16 116.60 1oog n LYS 100 Ca -0.17 -0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.72 1oog n LYS 100 Cb 0.56 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 34.10 1oog n LYS 100 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1oog s GLU 101 N -2.39 4.52 0.12 1.97 -6.30 -1.26 -4.97 118.70 110.39 1oog s GLU 101 Ca -0.09 1.10 -0.18 0.00 -2.50 0.00 0.00 54.97 53.31 1oog s GLU 101 Cb 0.05 -3.32 -0.04 0.00 0.00 0.00 0.00 34.13 30.82 1oog s GLU 101 CO 0.66 0.40 1.68 0.66 0.02 0.00 0.00 175.26 178.68 1oog h SER 102 N 5.11 0.41 -0.58 -1.70 4.64 -1.91 -0.86 113.55 118.66 1oog h SER 102 Ca -0.45 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 60.69 1oog h SER 102 Cb 1.21 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1oog h SER 102 CO 0.69 0.44 0.23 0.00 -0.87 0.00 0.00 176.83 177.32 1oog h GLU 104 N 0.80 0.94 -0.49 0.00 4.57 -1.80 -0.50 114.58 118.11 1oog h GLU 104 Ca 0.19 -0.11 0.08 0.00 -1.18 0.00 0.00 59.36 58.34 1oog h GLU 104 Cb 0.20 -0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 28.54 1oog h GLU 104 CO -0.02 0.70 0.12 0.00 -1.18 0.00 0.00 179.01 178.63 1oog h ARG 105 N 0.93 0.25 -0.15 1.92 3.08 -0.91 -0.08 114.38 119.43 1oog h ARG 105 Ca 0.24 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 1oog h ARG 105 Cb 0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1oog h ARG 105 CO -0.04 0.17 -0.17 0.28 -1.07 0.00 0.00 179.97 179.13 1oog h VAL 106 N 0.26 1.35 -0.32 2.04 2.07 -1.07 -2.55 116.25 118.04 1oog h VAL 106 Ca 0.24 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1oog h VAL 106 Cb 0.30 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1oog h VAL 106 CO -0.30 0.40 0.09 0.22 0.02 0.00 0.00 177.57 178.01 1oog h TYR 107 N -0.01 0.16 -0.21 1.57 3.20 -0.88 0.30 116.97 121.10 1oog h TYR 107 Ca 0.02 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1oog h TYR 107 Cb 0.72 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1oog h TYR 107 CO 0.09 0.06 -0.20 1.96 -1.64 0.00 0.00 178.16 178.42 1oog h GLN 108 N 0.22 0.37 -0.26 1.82 1.08 -1.03 0.32 115.11 117.64 1oog h GLN 108 Ca 0.15 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1oog h GLN 108 Cb 0.13 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1oog h GLN 108 CO -0.17 0.57 0.05 1.15 -0.95 0.00 0.00 178.83 179.48 1oog h THR 109 N 0.34 1.22 -0.80 -0.54 2.02 -0.98 -0.45 112.91 113.71 1oog h THR 109 Ca 0.06 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.49 1oog h THR 109 Cb 0.56 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 1oog h THR 109 CO 0.04 0.24 0.53 0.00 0.37 0.00 0.00 175.52 176.70 1oog h ALA 110 N 0.87 1.02 -0.68 6.16 0.00 -0.53 -0.70 119.26 125.41 1oog h ALA 110 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1oog h ALA 110 Cb 0.31 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1oog h ALA 110 CO 0.00 0.43 0.34 -0.22 0.00 0.00 0.00 179.25 179.80 1oog h LYS 111 N 1.09 0.97 -0.57 0.00 3.64 -0.82 -1.09 116.57 119.79 1oog h LYS 111 Ca 0.29 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1oog h LYS 111 Cb -0.12 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.49 1oog h LYS 111 CO -0.06 0.76 0.37 0.00 -2.27 0.00 0.00 179.45 178.24 1oog h PHE 113 N 0.74 0.40 -0.35 0.00 -1.00 -0.62 0.86 116.94 116.96 1oog h PHE 113 Ca 0.21 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.97 1oog h PHE 113 Cb -0.06 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 1oog h PHE 113 CO -0.04 0.15 0.01 0.66 -1.61 0.00 0.00 178.31 177.48 1oog h SER 114 N 0.43 0.51 0.94 2.17 4.64 -0.46 0.04 113.55 121.81 1oog h SER 114 Ca 0.25 -0.10 -0.22 0.00 -0.47 0.00 0.00 61.79 61.26 1oog h SER 114 Cb 0.25 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1oog h SER 114 CO -0.23 0.58 -1.09 -0.33 -0.87 0.00 0.00 176.83 174.88 1oog h GLU 115 N 0.53 0.00 0.00 4.77 5.08 -0.71 -3.30 114.58 120.95 1oog h GLU 115 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1oog h GLU 115 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1oog h GLU 115 CO 0.01 0.93 -0.77 -0.91 -1.00 0.00 0.00 179.01 177.27 1oog h ASN 116 N 0.00 0.00 -2.02 1.42 2.35 -0.57 -3.46 115.58 113.30 1oog h ASN 116 Ca -0.05 -0.09 -0.63 0.00 -0.55 0.00 0.00 56.30 54.99 1oog h ASN 116 Cb 1.80 0.00 0.03 0.00 0.05 0.00 0.00 38.32 40.20 1oog h ASN 116 CO 0.12 0.05 0.91 0.00 -1.65 0.00 0.00 177.43 176.86 1oog n ALA 117 N -2.03 0.73 0.18 -0.83 0.00 -0.02 -4.83 120.51 113.72 1oog n ALA 117 Ca 0.02 0.37 0.07 0.00 0.00 0.00 0.00 53.44 53.90 1oog n ALA 117 Cb 0.50 -2.38 0.24 0.00 0.00 0.00 0.00 19.45 17.82 1oog n ALA 117 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1oog n ASP 118 N 5.02 3.17 -1.11 0.00 3.85 -1.26 -4.87 116.55 121.34 1oog n ASP 118 Ca 0.21 -2.19 -0.01 0.00 -0.71 0.00 0.00 54.79 52.09 1oog n ASP 118 Cb 0.26 -0.43 -0.00 0.00 -1.35 0.00 0.00 41.12 39.61 1oog n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1oog n GLY 119 N 1.04 3.01 3.74 6.12 0.00 -1.26 -5.13 105.19 112.71 1oog n GLY 119 Ca 0.18 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1oog n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oog s GLN 120 N -2.04 4.28 -0.06 1.61 -0.21 -1.26 -5.00 119.66 116.98 1oog s GLN 120 Ca 0.02 2.26 0.04 0.00 0.02 0.00 0.00 55.36 57.69 1oog s GLN 120 Cb -0.00 -3.14 -0.02 0.00 1.00 0.00 0.00 33.01 30.85 1oog s GLN 120 CO 0.01 -0.42 -0.18 0.12 -2.12 0.00 0.00 175.29 172.70 1oog s PHE 121 N 0.22 2.60 -0.07 0.91 2.19 -1.26 -5.10 117.98 117.46 1oog s PHE 121 Ca 0.60 -0.40 0.01 0.00 0.33 0.00 0.00 56.93 57.48 1oog s PHE 121 Cb -0.41 -1.63 0.02 0.00 -1.31 0.00 0.00 43.02 39.69 1oog s PHE 121 CO 0.40 0.00 -0.08 -1.64 1.83 0.00 0.00 175.22 175.74 1oog s MET 122 N -0.43 1.26 -0.08 10.12 -1.94 -1.26 -2.23 119.30 124.74 1oog s MET 122 Ca 0.05 -0.23 -0.02 0.00 -1.71 0.00 0.00 55.69 53.78 1oog s MET 122 Cb -0.12 -1.19 -0.03 0.00 2.01 0.00 0.00 34.83 35.49 1oog s MET 122 CO 0.02 -0.09 0.00 -0.46 -0.01 0.00 0.00 175.02 174.48 1oog s TRP 123 N 1.04 3.16 -1.65 -0.03 -0.11 -1.07 -4.95 118.94 115.33 1oog s TRP 123 Ca -0.08 0.19 0.00 0.00 1.22 0.00 0.00 56.10 57.43 1oog s TRP 123 Cb -0.14 -1.79 0.00 0.00 -1.50 0.00 0.00 33.47 30.04 1oog s TRP 123 CO -0.00 0.47 0.41 -2.30 -4.62 0.00 0.00 176.95 170.91