#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 2.56 0.22 3.17 -4.23 -1.26 -4.23 115.64 111.88 1oog s THR 2 Ca 0.00 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.61 1oog s THR 2 Cb 0.00 -3.10 0.19 0.00 1.34 0.00 0.00 72.50 70.92 1oog s THR 2 CO 0.00 -0.24 1.87 -0.03 -0.54 0.00 0.00 174.62 175.68 1oog h MET 3 N -1.03 0.99 -0.39 3.99 -1.53 -1.99 0.26 114.93 115.24 1oog h MET 3 Ca -0.47 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 55.72 1oog h MET 3 Cb 1.30 -0.22 -0.02 0.00 -0.55 0.00 0.00 31.60 32.11 1oog h MET 3 CO 0.64 0.65 0.20 1.49 0.14 0.00 0.00 176.91 180.03 1oog h GLU 4 N 1.02 0.56 -0.71 0.39 4.81 -2.00 -1.04 114.58 117.60 1oog h GLU 4 Ca 0.32 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1oog h GLU 4 Cb 0.00 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1oog h GLU 4 CO -0.11 0.47 0.24 1.96 -0.73 0.00 0.00 179.01 180.84 1oog h GLN 5 N 0.50 1.09 0.09 1.92 4.20 -1.84 -2.65 115.11 118.42 1oog h GLN 5 Ca 0.14 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1oog h GLN 5 Cb 0.09 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1oog h GLN 5 CO -0.02 0.93 -0.09 0.35 -0.67 0.00 0.00 178.83 179.33 1oog h PHE 6 N 1.04 -0.24 -0.88 2.96 3.57 -0.52 -0.41 116.94 122.46 1oog h PHE 6 Ca 0.23 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.79 1oog h PHE 6 Cb 0.28 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 1oog h PHE 6 CO 0.02 -0.15 0.55 -0.07 -2.23 0.00 0.00 178.31 176.43 1oog h LEU 7 N -0.21 0.87 -0.72 0.59 3.38 -1.11 -1.63 115.31 116.48 1oog h LEU 7 Ca 0.01 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1oog h LEU 7 Cb 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1oog h LEU 7 CO -0.03 0.56 -0.57 0.74 0.09 0.00 0.00 178.44 179.24 1oog h THR 8 N 1.01 1.37 -0.00 0.22 2.02 -1.35 -2.90 112.91 113.28 1oog h THR 8 Ca 0.38 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.65 1oog h THR 8 Cb 0.15 1.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1oog h THR 8 CO -0.17 0.56 -0.05 0.77 0.37 0.00 0.00 175.52 177.00 1oog h SER 9 N 0.17 0.01 -0.72 4.18 4.64 -0.10 -1.94 113.55 119.79 1oog h SER 9 Ca -0.00 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1oog h SER 9 Cb 1.05 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 1oog h SER 9 CO 0.09 0.06 0.43 -0.07 -0.87 0.00 0.00 176.83 176.47 1oog h LEU 10 N 0.01 0.68 -0.72 5.97 3.38 -1.25 -0.05 115.31 123.32 1oog h LEU 10 Ca 0.00 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1oog h LEU 10 Cb 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1oog h LEU 10 CO 0.01 0.45 -0.39 0.44 0.09 0.00 0.00 178.44 179.03 1oog h ASP 11 N 0.81 0.55 -0.34 -0.43 3.32 -1.51 -1.89 116.42 116.93 1oog h ASP 11 Ca 0.30 -0.24 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 1oog h ASP 11 Cb 0.11 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1oog h ASP 11 CO -0.15 0.89 -0.36 0.24 -1.72 0.00 0.00 179.24 178.14 1oog h MET 12 N 0.43 0.88 -0.09 3.56 2.86 -1.11 -1.69 114.93 119.79 1oog h MET 12 Ca 0.04 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1oog h MET 12 Cb 0.88 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.54 1oog h MET 12 CO 0.07 1.09 0.00 0.82 1.06 0.00 0.00 176.91 179.96 1oog h ILE 13 N 0.73 1.24 -0.85 -1.22 2.04 -1.00 -2.85 117.51 115.60 1oog h ILE 13 Ca 0.07 -0.77 0.14 0.00 1.00 0.00 0.00 64.86 65.29 1oog h ILE 13 Cb 0.94 1.59 -0.09 0.00 -0.74 0.00 0.00 36.82 38.51 1oog h ILE 13 CO 0.09 0.22 0.45 -0.09 0.00 0.00 0.00 178.15 178.81 1oog h ARG 14 N -0.12 0.65 0.00 2.37 2.43 -1.19 -1.63 114.38 116.89 1oog h ARG 14 Ca 0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1oog h ARG 14 Cb 0.34 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1oog h ARG 14 CO 0.00 0.43 -0.04 0.66 -1.51 0.00 0.00 179.97 179.51 1oog h SER 15 N 0.66 0.00 0.30 -3.80 4.64 -1.07 0.38 113.55 114.67 1oog h SER 15 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1oog h SER 15 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1oog h SER 15 CO -0.34 0.04 -0.34 0.61 -0.87 0.00 0.00 176.83 175.93 1oog n GLY 16 N -0.83 -0.78 0.36 -0.77 0.00 -0.62 -4.54 105.19 98.01 1oog n GLY 16 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.63 0.00 0.00 0.00 -1.21 -1.84 119.26 117.85 1oog h ALA 18 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1oog h ALA 18 Cb 0.90 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1oog h ALA 18 CO 0.00 0.08 0.00 -1.35 0.00 0.00 0.00 179.25 177.98 1oog h PRO 19 N 0.87 0.00 0.00 0.00 0.11 -1.81 -2.05 132.00 129.11 1oog h PRO 19 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1oog h PRO 19 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1oog h PRO 19 CO -0.30 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.12 1oog n LYS 20 N -2.74 0.12 -4.40 1.05 5.02 -0.69 -4.91 118.16 111.60 1oog n LYS 20 Ca -0.01 0.16 -0.20 0.00 -2.02 0.00 0.00 58.31 56.24 1oog n LYS 20 Cb 0.11 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.36 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 -3.08 1.81 -0.40 2.13 0.40 -0.77 -5.11 117.98 112.96 1oog s PHE 21 Ca 0.11 -0.99 -0.11 0.00 -0.60 0.00 0.00 56.93 55.33 1oog s PHE 21 Cb 0.14 -1.13 0.04 0.00 0.51 0.00 0.00 43.02 42.58 1oog s PHE 21 CO 0.50 -0.07 0.25 0.21 0.70 0.00 0.00 175.22 176.81 1oog s LYS 22 N -3.91 2.80 0.07 0.44 2.20 -1.26 -5.00 119.74 115.07 1oog s LYS 22 Ca 0.35 -1.19 0.06 0.00 -0.36 0.00 0.00 55.97 54.83 1oog s LYS 22 Cb 0.08 -3.81 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 1oog s LYS 22 CO 0.14 -0.80 -0.16 -0.51 -0.36 0.00 0.00 175.35 173.66 1oog s LEU 23 N 1.55 2.25 -0.08 5.43 1.43 -1.26 -4.70 118.68 123.29 1oog s LEU 23 Ca 0.03 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.38 1oog s LEU 23 Cb -0.21 -0.64 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 1oog s LEU 23 CO 0.06 -0.01 0.41 -0.54 0.23 0.00 0.00 176.35 176.50 1oog s LYS 24 N -1.60 4.15 0.24 1.70 1.02 -1.26 -4.99 119.74 119.00 1oog s LYS 24 Ca 0.01 0.35 -0.06 0.00 0.02 0.00 0.00 55.97 56.29 1oog s LYS 24 Cb -0.09 -3.35 0.29 0.00 -0.52 0.00 0.00 37.83 34.15 1oog s LYS 24 CO 0.02 0.39 1.87 1.15 -0.92 0.00 0.00 175.35 177.86 1oog h THR 25 N 4.32 1.11 -0.65 2.17 2.02 -2.00 -0.83 112.91 119.04 1oog h THR 25 Ca -0.45 -0.36 0.05 0.00 0.77 0.00 0.00 66.41 66.42 1oog h THR 25 Cb 1.19 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1oog h THR 25 CO 0.70 0.19 0.43 -0.08 0.37 0.00 0.00 175.52 177.13 1oog h GLU 26 N 1.05 0.69 -0.20 6.66 4.81 -1.99 0.21 114.58 125.81 1oog h GLU 26 Ca 0.36 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.40 1oog h GLU 26 Cb 0.06 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1oog h GLU 26 CO -0.13 0.45 -0.45 -0.44 -0.73 0.00 0.00 179.01 177.71 1oog h ASP 27 N 0.71 0.74 -0.76 1.04 3.32 -1.58 -2.38 116.42 117.51 1oog h ASP 27 Ca 0.27 -0.56 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 1oog h ASP 27 Cb 0.19 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1oog h ASP 27 CO -0.08 1.16 0.37 -0.07 -1.72 0.00 0.00 179.24 178.90 1oog h LEU 28 N 0.35 0.98 -0.59 1.55 3.38 -0.94 -1.48 115.31 118.56 1oog h LEU 28 Ca 0.00 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1oog h LEU 28 Cb 1.05 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1oog h LEU 28 CO 0.10 0.84 0.33 0.44 0.09 0.00 0.00 178.44 180.24 1oog h ASP 29 N 1.06 0.51 -0.32 -0.43 3.32 -0.89 -0.21 116.42 119.46 1oog h ASP 29 Ca 0.26 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 1oog h ASP 29 Cb 0.11 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1oog h ASP 29 CO -0.03 0.35 0.06 0.03 -1.72 0.00 0.00 179.24 177.92 1oog h ARG 30 N 0.64 0.53 -0.60 3.56 3.08 -1.04 -2.64 114.38 117.90 1oog h ARG 30 Ca 0.25 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1oog h ARG 30 Cb 0.11 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1oog h ARG 30 CO -0.14 0.62 0.37 -0.07 -1.07 0.00 0.00 179.97 179.67 1oog h LEU 31 N 0.36 0.71 -1.77 3.04 3.38 -1.04 -0.21 115.31 119.78 1oog h LEU 31 Ca 0.10 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1oog h LEU 31 Cb 0.34 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1oog h LEU 31 CO 0.01 0.54 0.24 -0.09 0.09 0.00 0.00 178.44 179.22 1oog h ARG 32 N 0.82 0.29 -0.66 1.13 9.65 -0.67 0.10 114.38 125.04 1oog h ARG 32 Ca 0.22 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1oog h ARG 32 Cb -0.05 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 1oog h ARG 32 CO -0.04 0.19 0.00 1.33 2.80 0.00 0.00 179.97 184.25 1oog n VAL 33 N -4.48 1.56 -1.17 0.20 0.24 -1.00 -3.00 118.33 110.67 1oog n VAL 33 Ca 0.04 -1.14 -0.04 0.00 -2.04 0.00 0.00 64.34 61.16 1oog n VAL 33 Cb 0.21 0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 32.81 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 1.25 0.65 3.35 7.63 0.00 0.00 -4.61 105.19 113.47 1oog n GLY 34 Ca 0.25 -0.89 -0.46 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.95 6.42 -0.15 1.61 2.15 -0.12 -4.85 116.67 118.78 1oog s ASP 35 Ca 0.00 -1.99 0.17 0.00 0.43 0.00 0.00 52.55 51.16 1oog s ASP 35 Cb 0.00 -2.26 0.76 0.00 -0.30 0.00 0.00 42.92 41.11 1oog s ASP 35 CO 0.00 -0.88 1.67 0.49 -0.17 0.00 0.00 175.17 176.28 1oog n PHE 36 N 5.36 1.67 -1.52 -5.34 3.01 -1.26 -3.71 117.46 115.66 1oog n PHE 36 Ca 0.01 -0.63 -0.34 0.00 1.01 0.00 0.00 57.45 57.49 1oog n PHE 36 Cb 0.44 -0.32 -0.04 0.00 -0.01 0.00 0.00 39.48 39.55 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 1.02 7.78 -3.51 4.37 3.02 -1.26 -4.79 115.26 121.88 1oog n ASN 37 Ca 0.27 -2.83 -0.15 0.00 -0.03 0.00 0.00 54.58 51.84 1oog n ASN 37 Cb 0.98 -1.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.67 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 0.41 -0.57 0.01 3.10 -0.12 -1.26 -5.14 117.98 114.40 1oog s PHE 38 Ca 0.63 0.85 -0.30 0.00 -0.05 0.00 0.00 56.93 58.06 1oog s PHE 38 Cb 0.22 0.45 -0.06 0.00 -0.63 0.00 0.00 43.02 43.01 1oog s PHE 38 CO -0.08 -0.61 1.48 -2.14 -0.05 0.00 0.00 175.22 173.82 1oog s PRO 39 N -1.75 4.25 0.28 1.99 0.02 -1.26 -4.99 135.00 133.53 1oog s PRO 39 Ca -0.06 2.06 -0.15 0.00 0.02 0.00 0.00 61.00 62.87 1oog s PRO 39 Cb -0.00 -3.63 -0.08 0.00 0.02 0.00 0.00 34.50 30.81 1oog s PRO 39 CO 0.03 -0.64 0.69 -1.25 -0.33 0.00 0.00 177.00 175.50 1oog s PRO 40 N 2.65 4.00 0.78 5.54 0.04 -1.26 -5.08 135.00 141.67 1oog s PRO 40 Ca 0.67 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.20 1oog s PRO 40 Cb -0.33 -2.57 0.06 0.00 0.04 0.00 0.00 34.50 31.70 1oog s PRO 40 CO 0.28 0.24 1.10 -1.54 0.04 0.00 0.00 177.00 177.11 1oog s SER 41 N -2.17 4.65 0.24 6.66 1.04 -1.26 -4.91 113.70 117.95 1oog s SER 41 Ca 0.50 1.28 -0.07 0.00 0.48 0.00 0.00 55.95 58.14 1oog s SER 41 Cb -0.12 -2.02 0.25 0.00 0.10 0.00 0.00 66.02 64.23 1oog s SER 41 CO 0.19 -1.87 1.92 -0.61 0.98 0.00 0.00 173.24 173.85 1oog h GLN 42 N -1.02 1.25 -0.53 4.02 4.15 -1.98 -1.65 115.11 119.36 1oog h GLN 42 Ca -0.47 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 58.88 1oog h GLN 42 Cb 1.27 -0.28 -0.03 0.00 0.21 0.00 0.00 27.48 28.65 1oog h GLN 42 CO 0.60 0.83 0.34 -0.44 -1.93 0.00 0.00 178.83 178.22 1oog h ASP 43 N 1.29 0.62 -0.80 -0.69 5.19 -1.93 -0.15 116.42 119.95 1oog h ASP 43 Ca 0.36 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.70 1oog h ASP 43 Cb -0.13 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.19 1oog h ASP 43 CO -0.08 0.47 0.37 0.25 -3.12 0.00 0.00 179.24 177.13 1oog h LEU 44 N 0.71 1.06 -0.41 1.55 5.85 -1.73 0.37 115.31 122.72 1oog h LEU 44 Ca 0.19 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1oog h LEU 44 Cb -0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 1oog h LEU 44 CO -0.04 0.90 0.09 0.24 -0.34 0.00 0.00 178.44 179.29 1oog h MET 45 N 1.15 0.66 -0.09 1.25 2.86 -0.87 -2.12 114.93 117.78 1oog h MET 45 Ca 0.28 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1oog h MET 45 Cb 0.14 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1oog h MET 45 CO -0.03 0.69 -0.19 0.00 1.06 0.00 0.00 176.91 178.44 1oog h TYR 47 N 0.13 0.82 -0.29 0.00 3.20 -0.57 -0.08 116.97 120.17 1oog h TYR 47 Ca 0.02 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1oog h TYR 47 Cb 0.41 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 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 0.88 1.17 -0.30 1.81 1.35 -0.69 -1.37 112.91 115.76 1oog h THR 48 Ca 0.25 -0.67 -0.06 0.00 -0.55 0.00 0.00 66.41 65.39 1oog h THR 48 Cb -0.08 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1oog h THR 48 CO -0.06 0.23 -0.04 0.50 -0.25 0.00 0.00 175.52 175.90 1oog h LYS 49 N 0.43 0.56 -0.59 4.72 3.64 -0.89 -1.35 116.57 123.08 1oog h LYS 49 Ca 0.10 -0.20 0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1oog h LYS 49 Cb 0.27 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1oog h LYS 49 CO 0.01 0.73 0.27 0.00 -2.27 0.00 0.00 179.45 178.19 1oog h VAL 51 N 0.51 1.18 -0.13 0.00 2.07 -1.08 -2.07 116.25 116.73 1oog h VAL 51 Ca 0.28 -0.45 -0.13 0.00 0.82 0.00 0.00 66.70 67.22 1oog h VAL 51 Cb 0.26 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1oog h VAL 51 CO -0.23 0.19 -0.48 0.28 0.02 0.00 0.00 177.57 177.35 1oog h SER 52 N 0.72 0.35 -0.59 0.57 0.02 -0.78 -2.09 113.55 111.75 1oog h SER 52 Ca 0.19 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1oog h SER 52 Cb 0.04 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1oog h SER 52 CO -0.03 0.78 0.11 -0.07 -1.14 0.00 0.00 176.83 176.48 1oog h LEU 53 N 0.26 0.95 -1.03 5.07 3.38 -0.71 -0.91 115.31 122.32 1oog h LEU 53 Ca 0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1oog h LEU 53 Cb 0.94 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1oog h LEU 53 CO 0.08 0.94 0.09 -0.03 0.09 0.00 0.00 178.44 179.61 1oog h MET 54 N 0.94 0.79 0.00 1.13 4.05 -1.08 -2.31 114.93 118.45 1oog h MET 54 Ca 0.19 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1oog h MET 54 Cb 0.39 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1oog h MET 54 CO 0.01 0.74 -0.00 0.00 0.23 0.00 0.00 176.91 177.88 1oog h ALA 55 N 1.34 1.00 -0.25 0.39 0.00 -0.90 -3.47 119.26 117.37 1oog h ALA 55 Ca 0.16 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1oog h ALA 55 Cb 0.33 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1oog h ALA 55 CO 0.00 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 179.59 1oog n GLY 56 N 0.58 0.61 0.06 0.00 0.00 -0.40 -4.95 105.19 101.10 1oog n GLY 56 Ca 0.02 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.05 0.00 -4.10 2.61 -2.24 -0.90 -4.69 114.28 101.90 1oog n THR 57 Ca -0.04 -0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 1oog n THR 57 Cb 0.19 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.90 0.36 0.52 2.28 -7.23 -1.25 -1.46 120.40 110.72 1oog s VAL 58 Ca 0.12 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 1oog s VAL 58 Cb 0.17 -1.44 0.10 0.00 0.56 0.00 0.00 36.38 35.77 1oog s VAL 58 CO 0.72 -0.91 0.72 -0.46 -0.31 0.00 0.00 175.10 174.86 1oog n ASN 59 N 0.22 1.29 0.12 4.85 0.23 -0.97 -4.63 115.26 116.37 1oog n ASN 59 Ca -0.15 -2.01 0.11 0.00 -0.53 0.00 0.00 54.58 52.00 1oog n ASN 59 Cb 0.60 -0.43 0.47 0.00 -2.08 0.00 0.00 39.78 38.34 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 -2.26 0.17 -0.01 -3.83 5.02 -1.26 -0.64 118.16 115.36 1oog n LYS 60 Ca 0.13 0.41 0.14 0.00 -2.02 0.00 0.00 58.31 56.97 1oog n LYS 60 Cb 0.46 -1.83 0.65 0.00 -0.02 0.00 0.00 35.03 34.29 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 -2.15 1.43 -1.01 1.97 4.01 -1.26 -4.90 118.16 116.25 1oog n LYS 61 Ca 0.02 -0.63 -0.00 0.00 -0.51 0.00 0.00 58.31 57.19 1oog n LYS 61 Cb 0.22 -1.47 -0.00 0.00 -0.51 0.00 0.00 35.03 33.26 1oog n LYS 61 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1oog n GLY 62 N 1.10 0.47 3.69 0.72 0.00 0.18 -4.15 105.19 107.20 1oog n GLY 62 Ca 0.20 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.76 4.44 0.05 1.61 2.02 -1.26 -4.18 118.70 120.61 1oog s GLU 63 Ca 0.00 1.41 -0.28 0.00 0.02 0.00 0.00 54.97 56.11 1oog s GLU 63 Cb 0.00 -3.53 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 1oog s GLU 63 CO 0.00 -0.29 0.91 0.12 0.02 0.00 0.00 175.26 176.02 1oog s PHE 64 N 1.90 3.73 -0.55 1.61 5.36 -1.26 -2.29 117.98 126.47 1oog s PHE 64 Ca 0.49 1.66 -0.05 0.00 -0.96 0.00 0.00 56.93 58.07 1oog s PHE 64 Cb -0.19 -3.01 0.14 0.00 -0.34 0.00 0.00 43.02 39.62 1oog s PHE 64 CO 0.19 0.14 0.38 1.21 -1.46 0.00 0.00 175.22 175.69 1oog s ASN 65 N 0.37 5.48 0.07 6.13 3.84 -0.53 -4.99 114.94 125.31 1oog s ASN 65 Ca 0.46 -2.41 -0.23 0.00 0.21 0.00 0.00 52.86 50.90 1oog s ASN 65 Cb -0.22 -1.91 -0.15 0.00 -0.55 0.00 0.00 41.25 38.43 1oog s ASN 65 CO 0.27 -0.51 1.61 0.00 -2.79 0.00 0.00 177.10 175.68 1oog h ALA 66 N 7.69 0.07 -0.79 1.71 0.00 -1.90 0.18 119.26 126.22 1oog h ALA 66 Ca -0.08 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.84 1oog h ALA 66 Cb 1.01 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1oog h ALA 66 CO 0.75 -0.36 0.44 -1.35 0.00 0.00 0.00 179.25 178.73 1oog h PRO 67 N -0.06 0.72 -0.40 0.00 0.11 -1.99 -0.79 132.00 129.60 1oog h PRO 67 Ca 0.02 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.95 1oog h PRO 67 Cb 0.15 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1oog h PRO 67 CO -0.00 0.48 -0.30 -0.22 -0.21 0.00 0.00 178.00 177.75 1oog h LYS 68 N 0.75 0.87 -0.70 1.05 3.64 -1.84 -2.27 116.57 118.08 1oog h LYS 68 Ca 0.38 -0.41 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1oog h LYS 68 Cb 0.34 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1oog h LYS 68 CO -0.24 1.05 0.46 0.00 -2.27 0.00 0.00 179.45 178.44 1oog h ALA 69 N 0.92 0.88 -0.76 5.00 0.00 -0.23 -0.30 119.26 124.77 1oog h ALA 69 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1oog h ALA 69 Cb 0.86 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1oog h ALA 69 CO 0.08 0.32 0.31 -0.07 0.00 0.00 0.00 179.25 179.89 1oog h LEU 70 N 0.95 1.04 -1.31 0.00 3.38 -0.94 -1.16 115.31 117.26 1oog h LEU 70 Ca 0.25 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1oog h LEU 70 Cb -0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 1oog h LEU 70 CO -0.05 0.92 -0.33 0.00 0.09 0.00 0.00 178.44 179.07 1oog h ALA 71 N 1.16 1.27 0.00 1.53 0.00 -1.06 -3.07 119.26 119.09 1oog h ALA 71 Ca 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1oog h ALA 71 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1oog h ALA 71 CO -0.02 0.41 -0.52 1.96 0.00 0.00 0.00 179.25 181.08 1oog h GLN 72 N 0.00 0.00 -0.84 0.00 1.08 -0.12 -3.40 115.11 111.83 1oog h GLN 72 Ca -0.00 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.41 1oog h GLN 72 Cb 0.65 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.94 1oog h GLN 72 CO 0.04 0.00 0.09 -0.07 -0.95 0.00 0.00 178.83 177.94 1oog h LEU 73 N 0.00 -0.25 -2.27 1.46 3.38 -1.15 0.19 115.31 116.66 1oog h LEU 73 Ca 0.00 0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1oog h LEU 73 Cb 0.93 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1oog h LEU 73 CO 0.00 -0.20 0.21 -0.65 0.09 0.00 0.00 178.44 177.88 1oog h PRO 74 N 0.12 0.00 -0.12 1.13 0.11 -1.81 0.07 132.00 131.51 1oog h PRO 74 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1oog h PRO 74 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 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 -3.60 0.13 -0.02 0.65 8.25 0.64 -4.13 115.22 117.14 1oog n HIS 75 Ca 0.01 -0.07 -0.03 0.00 -0.26 0.00 0.00 57.72 57.37 1oog n HIS 75 Cb 0.32 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 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 0.81 2.97 -4.23 2.41 4.77 -0.12 -5.05 117.00 118.56 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 0.47 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1oog n LEU 76 CO 0.15 0.56 -0.42 0.68 -1.33 0.00 0.00 177.39 177.04 1oog s VAL 77 N -2.08 1.15 0.72 4.08 -7.23 -0.40 -4.99 120.40 111.64 1oog s VAL 77 Ca -0.06 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 1oog s VAL 77 Cb 0.01 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.30 1oog s VAL 77 CO 0.10 -0.64 1.07 -2.16 -0.31 0.00 0.00 175.10 173.16 1oog s PRO 78 N -3.32 2.77 0.33 4.82 0.04 -1.26 -4.59 135.00 133.78 1oog s PRO 78 Ca 0.13 0.73 0.11 0.00 0.04 0.00 0.00 61.00 62.01 1oog s PRO 78 Cb -0.00 -1.99 0.94 0.00 0.04 0.00 0.00 34.50 33.49 1oog s PRO 78 CO 0.01 -1.16 1.72 -1.35 0.04 0.00 0.00 177.00 176.26 1oog h PRO 79 N -0.75 0.50 -0.15 0.56 0.11 -1.96 -0.06 132.00 130.26 1oog h PRO 79 Ca -0.45 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.67 1oog h PRO 79 Cb 1.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1oog h PRO 79 CO 0.60 0.33 0.16 0.93 -0.21 0.00 0.00 178.00 179.81 1oog h GLU 80 N 0.52 0.00 -0.07 1.05 3.07 -1.93 -2.33 114.58 114.89 1oog h GLU 80 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 1oog h GLU 80 Cb 1.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1oog h GLU 80 CO -0.49 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 175.79 1oog n MET 81 N -3.84 0.88 -0.04 2.33 2.81 -0.06 -4.71 117.12 114.49 1oog n MET 81 Ca 0.01 -1.29 -0.10 0.00 -1.81 0.00 0.00 57.70 54.51 1oog n MET 81 Cb 0.28 -1.22 -0.04 0.00 -0.71 0.00 0.00 33.22 31.54 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 2.11 0.25 -0.43 0.03 2.86 -1.18 -1.44 114.93 117.12 1oog h MET 82 Ca 0.00 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1oog h MET 82 Cb 0.50 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1oog h MET 82 CO 0.00 0.17 -0.30 1.49 1.06 0.00 0.00 176.91 179.33 1oog h GLU 83 N 0.26 0.96 -0.82 1.72 4.57 -1.84 0.24 114.58 119.66 1oog h GLU 83 Ca 0.07 -0.45 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1oog h GLU 83 Cb -0.03 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 1oog h GLU 83 CO -0.02 1.12 0.52 1.98 -1.18 0.00 0.00 179.01 181.43 1oog h MET 84 N 0.81 1.10 -0.35 1.92 4.05 -1.86 -0.88 114.93 119.72 1oog h MET 84 Ca 0.09 -0.08 -0.15 0.00 -0.28 0.00 0.00 59.70 59.27 1oog h MET 84 Cb 0.88 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 1oog h MET 84 CO 0.08 0.75 -0.38 0.77 0.23 0.00 0.00 176.91 178.37 1oog h SER 85 N 1.12 0.87 -0.74 1.39 0.02 -0.91 -1.63 113.55 113.67 1oog h SER 85 Ca 0.30 -0.39 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 1oog h SER 85 Cb -0.08 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.18 1oog h SER 85 CO -0.06 1.15 0.28 0.03 -1.14 0.00 0.00 176.83 177.09 1oog h ARG 86 N 0.68 1.12 -0.79 3.45 3.08 -0.18 -0.59 114.38 121.14 1oog h ARG 86 Ca 0.06 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1oog h ARG 86 Cb 0.94 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 1oog h ARG 86 CO 0.09 0.92 0.30 -0.22 -1.07 0.00 0.00 179.97 179.99 1oog h LYS 87 N 1.07 1.19 -0.11 0.04 3.64 -1.02 -2.39 116.57 118.99 1oog h LYS 87 Ca 0.25 -0.23 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1oog h LYS 87 Cb 0.23 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1oog h LYS 87 CO -0.02 0.98 -0.66 0.77 -2.27 0.00 0.00 179.45 178.25 1oog h SER 88 N 1.16 0.52 -0.30 4.20 0.02 -0.98 -1.43 113.55 116.74 1oog h SER 88 Ca 0.26 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1oog h SER 88 Cb 0.24 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1oog h SER 88 CO -0.02 1.04 0.12 0.58 -1.14 0.00 0.00 176.83 177.41 1oog h VAL 89 N 0.32 0.94 -0.48 2.27 2.07 -0.90 0.22 116.25 120.70 1oog h VAL 89 Ca -0.02 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1oog h VAL 89 Cb 1.22 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1oog h VAL 89 CO 0.12 0.05 0.15 -0.08 0.02 0.00 0.00 177.57 177.82 1oog h GLU 90 N 0.26 0.74 0.00 1.57 4.57 -1.35 -1.13 114.58 119.24 1oog h GLU 90 Ca 0.13 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 1oog h GLU 90 Cb 0.08 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1oog h GLU 90 CO -0.12 0.71 -0.36 0.00 -1.18 0.00 0.00 179.01 178.05 1oog h ALA 91 N 1.00 1.25 -0.30 2.92 0.00 -0.98 -3.23 119.26 119.92 1oog h ALA 91 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1oog h ALA 91 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1oog h ALA 91 CO -0.00 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1oog h ARG 93 N 1.95 0.00 -0.18 0.00 0.11 -1.23 -2.80 114.38 112.23 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 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 1oog h ARG 93 CO 0.00 0.13 0.00 -0.25 0.10 0.00 0.00 179.97 179.95 1oog n ASP 94 N -4.01 2.71 -0.33 0.08 8.00 -1.26 -4.57 116.55 117.18 1oog n ASP 94 Ca -0.02 -1.79 0.08 0.00 0.71 0.00 0.00 54.79 53.76 1oog n ASP 94 Cb 0.21 -0.11 0.25 0.00 -0.02 0.00 0.00 41.12 41.45 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 3.20 0.80 -0.04 -3.53 2.02 -1.81 -1.29 112.91 112.25 1oog h THR 95 Ca 0.00 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1oog h THR 95 Cb 0.74 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1oog h THR 95 CO 0.00 0.14 0.06 1.12 0.37 0.00 0.00 175.52 177.21 1oog h HIS 96 N 0.78 0.00 0.00 3.16 2.07 -1.80 -2.18 115.15 117.18 1oog h HIS 96 Ca 0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.02 1oog h HIS 96 Cb 0.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.62 1oog h HIS 96 CO -0.04 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 175.69 1oog h LYS 97 N 0.00 0.00 -0.00 5.12 1.57 -1.57 -2.35 116.57 119.34 1oog h LYS 97 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1oog h LYS 97 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1oog h LYS 97 CO -0.00 0.00 -0.05 1.04 -0.57 0.00 0.00 179.45 179.87 1oog n GLN 98 N -2.75 0.07 -4.26 3.15 6.02 -0.82 -4.87 117.38 113.93 1oog n GLN 98 Ca 0.01 -0.01 -0.19 0.00 -0.01 0.00 0.00 57.00 56.81 1oog n GLN 98 Cb 0.28 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.93 1oog n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1oog s PHE 99 N -2.93 1.48 -0.18 1.08 0.40 -0.89 -5.07 117.98 111.86 1oog s PHE 99 Ca 0.16 -0.55 0.10 0.00 -0.60 0.00 0.00 56.93 56.04 1oog s PHE 99 Cb 0.19 -0.76 -0.18 0.00 0.51 0.00 0.00 43.02 42.78 1oog s PHE 99 CO 0.53 0.18 -0.03 1.63 0.70 0.00 0.00 175.22 178.23 1oog n LYS 100 N 0.46 1.00 -3.02 0.44 5.02 -1.26 -4.86 118.16 115.94 1oog n LYS 100 Ca -0.15 0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.79 1oog n LYS 100 Cb 0.57 -1.43 -0.06 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 -2.41 4.49 0.13 1.97 -6.30 -1.26 -4.96 118.70 110.37 1oog s GLU 101 Ca -0.16 1.06 -0.17 0.00 -2.50 0.00 0.00 54.97 53.21 1oog s GLU 101 Cb 0.06 -3.31 -0.01 0.00 0.00 0.00 0.00 34.13 30.87 1oog s GLU 101 CO 0.61 0.44 1.72 0.66 0.02 0.00 0.00 175.26 178.71 1oog h SER 102 N 5.02 0.48 -0.55 -1.70 4.64 -1.91 -0.50 113.55 119.03 1oog h SER 102 Ca -0.46 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 60.72 1oog h SER 102 Cb 1.21 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 1oog h SER 102 CO 0.68 0.46 0.25 0.00 -0.87 0.00 0.00 176.83 177.35 1oog h GLU 104 N 0.75 0.78 -0.57 0.00 4.57 -1.79 -0.71 114.58 117.61 1oog h GLU 104 Ca 0.19 -0.11 0.09 0.00 -1.18 0.00 0.00 59.36 58.36 1oog h GLU 104 Cb 0.15 -0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 28.52 1oog h GLU 104 CO -0.02 0.63 0.17 0.00 -1.18 0.00 0.00 179.01 178.61 1oog h ARG 105 N 0.74 0.32 -0.14 1.92 3.08 -0.89 -0.18 114.38 119.23 1oog h ARG 105 Ca 0.19 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 1oog h ARG 105 Cb 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1oog h ARG 105 CO -0.03 0.21 -0.32 0.28 -1.07 0.00 0.00 179.97 179.05 1oog h VAL 106 N 0.33 1.36 -0.27 2.04 2.07 -1.12 -2.46 116.25 118.21 1oog h VAL 106 Ca 0.29 -1.60 0.03 0.00 0.82 0.00 0.00 66.70 66.24 1oog h VAL 106 Cb 0.38 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1oog h VAL 106 CO -0.33 0.48 0.08 0.22 0.02 0.00 0.00 177.57 178.04 1oog h TYR 107 N 0.08 0.15 -0.05 1.57 3.20 -0.93 0.35 116.97 121.34 1oog h TYR 107 Ca -0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1oog h TYR 107 Cb 0.93 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1oog h TYR 107 CO 0.10 0.06 -0.30 1.96 -1.64 0.00 0.00 178.16 178.35 1oog h GLN 108 N 0.20 0.08 -0.36 1.82 1.08 -1.06 0.04 115.11 116.92 1oog h GLN 108 Ca 0.12 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.24 1oog h GLN 108 Cb 0.09 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1oog h GLN 108 CO -0.13 0.38 0.00 1.15 -0.95 0.00 0.00 178.83 179.28 1oog h THR 109 N 0.07 1.26 -0.56 -0.54 2.02 -0.90 -0.60 112.91 113.66 1oog h THR 109 Ca 0.01 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 1oog h THR 109 Cb 0.57 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1oog h THR 109 CO 0.04 0.32 0.21 0.00 0.37 0.00 0.00 175.52 176.47 1oog h ALA 110 N 0.86 0.73 -0.71 6.16 0.00 -0.48 -0.81 119.26 125.02 1oog h ALA 110 Ca 0.10 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1oog h ALA 110 Cb 0.46 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1oog h ALA 110 CO 0.02 0.35 0.46 -0.22 0.00 0.00 0.00 179.25 179.86 1oog h LYS 111 N 0.77 0.91 -0.53 0.00 3.64 -0.91 -1.07 116.57 119.38 1oog h LYS 111 Ca 0.19 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1oog h LYS 111 Cb 0.22 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1oog h LYS 111 CO -0.01 0.60 0.31 0.00 -2.27 0.00 0.00 179.45 178.07 1oog h PHE 113 N 0.61 0.17 -0.52 0.00 0.05 -0.59 0.93 116.94 117.58 1oog h PHE 113 Ca 0.22 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 62.01 1oog h PHE 113 Cb 0.05 -0.01 -0.03 0.00 2.00 0.00 0.00 35.95 37.96 1oog h PHE 113 CO -0.07 0.03 0.23 0.66 -0.18 0.00 0.00 178.31 178.98 1oog h SER 114 N 0.24 0.67 0.87 2.17 4.64 -0.52 -0.43 113.55 121.18 1oog h SER 114 Ca 0.20 -0.07 -0.23 0.00 -0.47 0.00 0.00 61.79 61.22 1oog h SER 114 Cb 0.24 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1oog h SER 114 CO -0.25 0.59 -1.13 -0.33 -0.87 0.00 0.00 176.83 174.84 1oog h GLU 115 N 0.74 0.06 0.00 4.77 5.08 -0.74 -3.28 114.58 121.20 1oog h GLU 115 Ca 0.18 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1oog h GLU 115 Cb 0.11 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1oog h GLU 115 CO -0.02 1.00 -0.52 -0.97 -1.00 0.00 0.00 179.01 177.49 1oog h ASN 116 N 0.02 0.00 -2.00 1.42 -0.73 -0.59 -3.46 115.58 110.23 1oog h ASN 116 Ca -0.07 -0.01 -0.63 0.00 1.87 0.00 0.00 56.30 57.47 1oog h ASN 116 Cb 1.84 0.00 0.04 0.00 0.27 0.00 0.00 38.32 40.47 1oog h ASN 116 CO 0.14 0.00 0.84 0.00 -0.37 0.00 0.00 177.43 178.05 1oog n ALA 117 N -2.12 0.61 -0.04 1.57 0.00 -0.19 -4.83 120.51 115.50 1oog n ALA 117 Ca 0.02 0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.94 1oog n ALA 117 Cb 0.53 -2.33 0.27 0.00 0.00 0.00 0.00 19.45 17.92 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 4.49 3.63 -0.99 0.00 3.85 -1.26 -4.87 116.55 121.39 1oog n ASP 118 Ca 0.20 -2.28 0.00 0.00 -0.71 0.00 0.00 54.79 52.00 1oog n ASP 118 Cb 0.25 -0.48 0.00 0.00 -1.35 0.00 0.00 41.12 39.54 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 1.02 2.88 3.74 6.12 0.00 -1.26 -5.13 105.19 112.56 1oog n GLY 119 Ca 0.20 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.97 4.32 -0.07 1.61 -0.21 -1.26 -5.01 119.66 117.08 1oog s GLN 120 Ca 0.00 2.20 0.05 0.00 0.02 0.00 0.00 55.36 57.63 1oog s GLN 120 Cb 0.00 -3.14 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 1oog s GLN 120 CO 0.00 -0.34 -0.21 0.12 -2.12 0.00 0.00 175.29 172.75 1oog s PHE 121 N -0.07 2.55 -0.05 0.91 2.19 -1.26 -5.10 117.98 117.15 1oog s PHE 121 Ca 0.57 -0.59 0.03 0.00 0.33 0.00 0.00 56.93 57.28 1oog s PHE 121 Cb -0.40 -1.64 0.00 0.00 -1.31 0.00 0.00 43.02 39.67 1oog s PHE 121 CO 0.42 -0.13 -0.14 -1.64 1.83 0.00 0.00 175.22 175.56 1oog s MET 122 N -0.21 1.60 -0.07 10.12 -1.94 -1.26 -2.25 119.30 125.30 1oog s MET 122 Ca -0.01 -0.48 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 1oog s MET 122 Cb -0.13 -1.37 -0.03 0.00 2.01 0.00 0.00 34.83 35.30 1oog s MET 122 CO 0.03 0.14 -0.07 -0.46 -0.01 0.00 0.00 175.02 174.65 1oog s TRP 123 N 0.30 2.94 -1.60 -0.03 -0.11 -1.10 -4.95 118.94 114.39 1oog s TRP 123 Ca -0.08 0.02 0.00 0.00 1.22 0.00 0.00 56.10 57.26 1oog s TRP 123 Cb -0.13 -1.71 0.00 0.00 -1.50 0.00 0.00 33.47 30.14 1oog s TRP 123 CO 0.02 0.33 0.40 -2.30 -4.62 0.00 0.00 176.95 170.79