#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ejm s GLN 2 N 0.00 0.60 0.02 3.23 -0.21 0.22 -4.84 119.66 118.68 3ejm s GLN 2 Ca 0.00 -1.08 0.07 0.00 0.02 0.00 0.00 55.36 54.37 3ejm s GLN 2 Cb 0.00 0.04 -0.03 0.00 1.00 0.00 0.00 33.01 34.02 3ejm s GLN 2 CO 0.00 -0.06 -0.21 1.03 -2.12 0.00 0.00 175.29 173.93 3ejm s ARG 3 N -3.19 2.08 0.09 2.91 0.52 -1.26 -1.69 118.95 118.41 3ejm s ARG 3 Ca 0.02 -0.96 0.02 0.00 -0.52 0.00 0.00 55.73 54.30 3ejm s ARG 3 Cb 0.02 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 3ejm s ARG 3 CO -0.06 0.55 -0.08 -0.08 0.02 0.00 0.00 175.30 175.65 3ejm s THR 4 N -0.80 0.77 -0.18 0.02 -1.32 -0.35 -4.80 115.64 108.97 3ejm s THR 4 Ca 0.13 -1.74 -0.06 0.00 -1.21 0.00 0.00 61.69 58.81 3ejm s THR 4 Cb -0.10 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.41 3ejm s THR 4 CO 0.02 -0.71 0.03 -0.22 -2.21 0.00 0.00 174.62 171.53 3ejm s LEU 5 N -2.67 3.59 -0.07 9.08 1.98 -1.26 -1.53 118.68 127.80 3ejm s LEU 5 Ca 0.07 -0.01 0.06 0.00 -2.89 0.00 0.00 54.13 51.36 3ejm s LEU 5 Cb 0.01 -1.89 -0.01 0.00 0.66 0.00 0.00 46.19 44.95 3ejm s LEU 5 CO -0.02 0.16 -0.24 -0.69 -1.89 0.00 0.00 176.35 173.67 3ejm s VAL 6 N 0.42 2.11 -0.15 1.68 1.01 0.33 -1.62 120.40 124.18 3ejm s VAL 6 Ca 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 3ejm s VAL 6 Cb -0.13 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3ejm s VAL 6 CO 0.01 0.57 -0.04 -0.76 0.00 0.00 0.00 175.10 174.88 3ejm s LEU 7 N -0.08 3.26 -0.28 3.92 1.43 -0.44 -0.44 118.68 126.06 3ejm s LEU 7 Ca -0.06 -0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 52.70 3ejm s LEU 7 Cb -0.14 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3ejm s LEU 7 CO 0.05 0.19 0.74 -0.63 0.23 0.00 0.00 176.35 176.92 3ejm s ILE 8 N 0.25 4.87 0.58 -0.59 -1.09 0.54 -0.67 121.20 125.10 3ejm s ILE 8 Ca -0.03 1.24 -0.05 0.00 -2.23 0.00 0.00 60.65 59.58 3ejm s ILE 8 Cb -0.14 -4.07 0.01 0.00 -1.58 0.00 0.00 42.46 36.69 3ejm s ILE 8 CO 0.03 -0.12 0.88 -0.54 -1.23 0.00 0.00 174.94 173.96 3ejm s LYS 9 N 2.77 2.85 0.53 2.79 1.02 -0.45 -2.22 119.74 127.03 3ejm s LYS 9 Ca 0.31 -0.12 0.27 0.00 0.02 0.00 0.00 55.97 56.45 3ejm s LYS 9 Cb -0.15 -2.30 1.51 0.00 -0.52 0.00 0.00 37.83 36.37 3ejm s LYS 9 CO 0.10 -0.71 2.11 -1.35 -0.92 0.00 0.00 175.35 174.58 3ejm h PRO 10 N -0.14 0.00 -0.11 -1.68 0.11 -1.85 -1.32 132.00 127.01 3ejm h PRO 10 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 3ejm h PRO 10 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3ejm h PRO 10 CO 0.60 0.10 -0.18 0.38 -0.21 0.00 0.00 178.00 178.69 3ejm h ASP 11 N 0.00 0.16 -0.73 -2.05 2.03 -1.91 -1.31 116.42 112.61 3ejm h ASP 11 Ca -0.00 -0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.25 3ejm h ASP 11 Cb 0.26 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 38.68 3ejm h ASP 11 CO 0.01 0.36 0.41 0.00 -1.03 0.00 0.00 179.24 178.99 3ejm h ALA 12 N 1.66 0.94 -0.27 4.15 0.00 -1.50 -0.62 119.26 123.63 3ejm h ALA 12 Ca 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3ejm h ALA 12 Cb 0.41 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ejm h ALA 12 CO 0.03 0.44 0.01 0.74 0.00 0.00 0.00 179.25 180.47 3ejm h PHE 13 N 1.01 0.51 -0.95 0.00 -1.00 -1.50 0.26 116.94 115.27 3ejm h PHE 13 Ca 0.26 -0.09 0.05 0.00 2.81 0.00 0.00 57.97 61.01 3ejm h PHE 13 Cb 0.02 -0.13 -0.06 0.00 3.61 0.00 0.00 35.95 39.39 3ejm h PHE 13 CO -0.00 0.61 0.62 1.49 -1.61 0.00 0.00 178.31 179.42 3ejm h GLU 14 N 0.26 1.10 -0.67 1.51 4.57 -1.03 -2.51 114.58 117.80 3ejm h GLU 14 Ca 0.08 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3ejm h GLU 14 Cb 0.41 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3ejm h GLU 14 CO 0.01 0.73 0.00 0.54 -1.18 0.00 0.00 179.01 179.11 3ejm n ARG 15 N -4.47 2.70 -3.62 1.92 1.74 -0.26 -4.96 116.66 109.70 3ejm n ARG 15 Ca 0.14 -2.59 -0.21 0.00 -0.77 0.00 0.00 57.85 54.42 3ejm n ARG 15 Cb 0.15 -1.55 0.05 0.00 -1.02 0.00 0.00 32.46 30.09 3ejm n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3ejm n SER 16 N 1.60 -1.97 -0.21 0.55 7.64 -0.47 -4.91 113.62 115.85 3ejm n SER 16 Ca 0.23 -0.74 0.04 0.00 1.01 0.00 0.00 58.87 59.42 3ejm n SER 16 Cb 0.62 -4.44 0.08 0.00 -1.01 0.00 0.00 64.21 59.46 3ejm n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ejm n LEU 17 N -4.30 2.42 0.29 -3.43 4.77 0.79 -4.77 117.00 112.77 3ejm n LEU 17 Ca -0.26 -2.36 -0.16 0.00 -0.03 0.00 0.00 56.01 53.20 3ejm n LEU 17 Cb 0.66 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3ejm n LEU 17 CO 0.66 0.61 0.69 0.58 -1.33 0.00 0.00 177.39 178.60 3ejm h VAL 18 N 0.52 0.45 -0.72 4.08 2.07 -1.91 -1.34 116.25 119.40 3ejm h VAL 18 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3ejm h VAL 18 Cb 0.75 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3ejm h VAL 18 CO 0.02 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.88 3ejm h ALA 19 N -0.23 1.12 -0.83 1.67 0.00 -1.94 -1.45 119.26 117.60 3ejm h ALA 19 Ca -0.06 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3ejm h ALA 19 Cb 0.57 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3ejm h ALA 19 CO 0.09 0.62 0.50 1.49 0.00 0.00 0.00 179.25 181.95 3ejm h GLU 20 N 1.05 0.85 -0.01 0.00 4.57 -1.80 0.29 114.58 119.52 3ejm h GLU 20 Ca 0.24 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 3ejm h GLU 20 Cb 0.23 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3ejm h GLU 20 CO -0.02 0.56 -0.11 0.82 -1.18 0.00 0.00 179.01 179.09 3ejm h ILE 21 N 0.88 1.53 -0.63 2.32 2.04 -0.86 -2.74 117.51 120.05 3ejm h ILE 21 Ca 0.38 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 3ejm h ILE 21 Cb 0.26 2.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 3ejm h ILE 21 CO -0.21 0.46 0.37 0.24 0.00 0.00 0.00 178.15 179.01 3ejm h MET 22 N -0.55 0.86 -0.68 2.37 2.86 -1.15 -1.86 114.93 116.78 3ejm h MET 22 Ca -0.01 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3ejm h MET 22 Cb 0.81 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 3ejm h MET 22 CO 0.02 0.61 0.39 0.78 1.06 0.00 0.00 176.91 179.77 3ejm h GLY 23 N 0.92 0.99 1.35 8.32 0.00 -0.39 0.67 103.07 114.93 3ejm h GLY 23 Ca 0.23 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 3ejm h GLY 23 CO -0.04 0.41 -0.23 3.21 0.00 0.00 0.00 176.54 179.88 3ejm h ARG 24 N 0.94 0.75 -0.14 4.80 3.08 -1.02 -0.50 114.38 122.28 3ejm h ARG 24 Ca 0.24 -0.30 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 3ejm h ARG 24 Cb -0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3ejm h ARG 24 CO -0.04 0.91 -0.66 0.82 -1.07 0.00 0.00 179.97 179.92 3ejm h ILE 25 N 0.65 1.33 -0.45 2.04 2.04 -1.31 -3.08 117.51 118.74 3ejm h ILE 25 Ca 0.09 -1.96 -0.10 0.00 1.00 0.00 0.00 64.86 63.89 3ejm h ILE 25 Cb 0.74 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 3ejm h ILE 25 CO 0.06 0.61 -0.13 -0.08 0.00 0.00 0.00 178.15 178.61 3ejm h GLU 26 N 0.40 0.83 0.00 2.37 4.81 -0.56 -2.52 114.58 119.92 3ejm h GLU 26 Ca -0.02 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3ejm h GLU 26 Cb 1.24 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3ejm h GLU 26 CO 0.12 0.91 0.00 0.87 -0.73 0.00 0.00 179.01 180.19 3ejm h LYS 27 N 0.75 0.00 -0.03 1.92 1.57 -1.08 -1.19 116.57 118.51 3ejm h LYS 27 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3ejm h LYS 27 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3ejm h LYS 27 CO 0.04 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.09 3ejm n LYS 28 N -2.75 1.53 -1.47 3.15 3.00 -0.96 -4.94 118.16 115.73 3ejm n LYS 28 Ca 0.01 -0.78 -0.01 0.00 -0.00 0.00 0.00 58.31 57.54 3ejm n LYS 28 Cb 0.27 -1.47 -0.00 0.00 0.00 0.00 0.00 35.03 33.83 3ejm n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3ejm n ASN 29 N -0.05 -2.21 -4.83 3.14 4.05 -0.45 -5.05 115.26 109.86 3ejm n ASN 29 Ca 0.19 0.01 -0.34 0.00 0.45 0.00 0.00 54.58 54.89 3ejm n ASN 29 Cb 0.30 -0.64 -0.06 0.00 1.23 0.00 0.00 39.78 40.61 3ejm n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3ejm s PHE 30 N -2.03 3.53 -0.12 1.20 0.40 -1.19 -4.96 117.98 114.81 3ejm s PHE 30 Ca 0.00 1.26 -0.01 0.00 -0.60 0.00 0.00 56.93 57.58 3ejm s PHE 30 Cb 0.00 -2.54 -0.03 0.00 0.51 0.00 0.00 43.02 40.96 3ejm s PHE 30 CO 0.00 0.26 -0.07 0.15 0.70 0.00 0.00 175.22 176.26 3ejm s LYS 31 N -2.37 3.29 0.08 0.44 -0.14 -0.74 -4.63 119.74 115.67 3ejm s LYS 31 Ca 0.47 -0.56 -0.31 0.00 -1.36 0.00 0.00 55.97 54.20 3ejm s LYS 31 Cb -0.14 -2.74 -0.08 0.00 -1.68 0.00 0.00 37.83 33.19 3ejm s LYS 31 CO 0.19 0.38 1.45 0.42 -0.76 0.00 0.00 175.35 177.04 3ejm s ILE 32 N -0.05 3.30 -0.09 2.17 1.01 -1.26 -0.81 121.20 125.47 3ejm s ILE 32 Ca 0.00 0.86 0.05 0.00 0.00 0.00 0.00 60.65 61.55 3ejm s ILE 32 Cb -0.13 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 3ejm s ILE 32 CO 0.03 0.04 -0.02 0.52 0.00 0.00 0.00 174.94 175.51 3ejm n VAL 33 N 4.26 0.57 -3.94 2.92 0.31 0.23 -4.94 118.33 117.74 3ejm n VAL 33 Ca 0.13 -0.29 -0.09 0.00 -0.01 0.00 0.00 64.34 64.07 3ejm n VAL 33 Cb 0.42 -0.82 -0.09 0.00 -0.91 0.00 0.00 33.84 32.44 3ejm n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3ejm s SER 34 N -4.41 0.21 -0.28 4.52 0.01 -1.19 -4.98 113.70 107.58 3ejm s SER 34 Ca -0.08 -0.57 -0.21 0.00 1.31 0.00 0.00 55.95 56.40 3ejm s SER 34 Cb 0.03 0.22 0.09 0.00 0.21 0.00 0.00 66.02 66.57 3ejm s SER 34 CO 0.29 -0.51 0.79 -0.32 0.41 0.00 0.00 173.24 173.90 3ejm s MET 35 N -2.67 0.69 -0.02 12.44 0.00 -1.26 -1.14 119.30 127.35 3ejm s MET 35 Ca -0.04 0.97 0.00 0.00 0.00 0.00 0.00 55.69 56.62 3ejm s MET 35 Cb -0.01 0.25 0.03 0.00 0.00 0.00 0.00 34.83 35.10 3ejm s MET 35 CO -0.05 -0.11 0.03 0.21 0.00 0.00 0.00 175.02 175.10 3ejm s LYS 36 N 0.89 -0.03 -0.03 4.11 2.20 -0.60 -5.01 119.74 121.28 3ejm s LYS 36 Ca -0.04 0.17 -0.20 0.00 -0.36 0.00 0.00 55.97 55.54 3ejm s LYS 36 Cb -0.05 -0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 35.98 3ejm s LYS 36 CO -0.09 -0.16 0.58 0.12 -0.36 0.00 0.00 175.35 175.44 3ejm s PHE 37 N 1.01 3.65 -0.22 4.03 5.36 -1.26 -1.23 117.98 129.31 3ejm s PHE 37 Ca -0.08 1.14 0.01 0.00 -0.96 0.00 0.00 56.93 57.04 3ejm s PHE 37 Cb -0.12 -2.61 0.04 0.00 -0.34 0.00 0.00 43.02 39.99 3ejm s PHE 37 CO -0.03 0.31 -0.15 -1.58 -1.46 0.00 0.00 175.22 172.31 3ejm s TRP 38 N 0.01 3.01 0.39 10.12 0.52 0.34 -4.98 118.94 128.35 3ejm s TRP 38 Ca 0.31 -1.91 0.06 0.00 0.02 0.00 0.00 56.10 54.58 3ejm s TRP 38 Cb -0.18 -1.94 0.79 0.00 -1.15 0.00 0.00 33.47 30.99 3ejm s TRP 38 CO 0.16 -0.83 2.03 0.66 0.02 0.00 0.00 176.95 179.00 3ejm h SER 39 N 7.88 0.52 -1.64 2.95 4.64 -1.92 -1.24 113.55 124.74 3ejm h SER 39 Ca -0.33 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.03 3ejm h SER 39 Cb 1.10 -0.13 -0.21 0.00 -0.31 0.00 0.00 62.40 62.84 3ejm h SER 39 CO 0.56 0.40 -0.22 -0.75 -0.87 0.00 0.00 176.83 175.95 3ejm s LYS 40 N -5.49 0.55 0.42 4.77 2.20 -1.26 -3.02 119.74 117.90 3ejm s LYS 40 Ca -0.09 1.21 -0.25 0.00 -0.36 0.00 0.00 55.97 56.49 3ejm s LYS 40 Cb 0.17 0.66 -0.08 0.00 -1.51 0.00 0.00 37.83 37.07 3ejm s LYS 40 CO 0.74 -0.39 1.24 0.00 -0.36 0.00 0.00 175.35 176.58 3ejm s ALA 41 N 2.85 3.16 0.33 3.13 0.00 -1.26 -4.97 121.76 124.99 3ejm s ALA 41 Ca 0.06 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 3ejm s ALA 41 Cb -0.13 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 3ejm s ALA 41 CO -0.19 -0.73 1.32 -2.14 0.00 0.00 0.00 175.76 174.02 3ejm s PRO 42 N -2.35 4.34 0.31 0.00 0.02 -1.26 -4.81 135.00 131.24 3ejm s PRO 42 Ca 0.59 2.23 0.05 0.00 0.02 0.00 0.00 61.00 63.89 3ejm s PRO 42 Cb -0.34 -3.07 0.69 0.00 0.02 0.00 0.00 34.50 31.79 3ejm s PRO 42 CO 0.43 -0.22 1.81 -0.09 -0.33 0.00 0.00 177.00 178.61 3ejm h ARG 43 N 3.50 0.81 -0.57 5.54 9.65 -1.97 -2.22 114.38 129.12 3ejm h ARG 43 Ca -0.49 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.28 3ejm h ARG 43 Cb 1.23 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.60 3ejm h ARG 43 CO 0.66 0.54 0.09 -2.95 2.80 0.00 0.00 179.97 181.11 3ejm h ASN 44 N 0.84 0.87 -0.60 -3.80 -1.07 -1.99 0.29 115.58 110.12 3ejm h ASN 44 Ca 0.53 -0.19 -0.07 0.00 0.07 0.00 0.00 56.30 56.65 3ejm h ASN 44 Cb 0.73 -0.23 -0.02 0.00 -2.07 0.00 0.00 38.32 36.72 3ejm h ASN 44 CO -0.31 0.87 0.12 -0.07 0.07 0.00 0.00 177.43 178.11 3ejm h LEU 45 N 0.87 0.94 -0.47 6.14 3.38 -1.79 0.11 115.31 124.49 3ejm h LEU 45 Ca 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3ejm h LEU 45 Cb 0.38 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3ejm h LEU 45 CO 0.01 0.95 0.17 0.40 0.09 0.00 0.00 178.44 180.06 3ejm h ILE 46 N 0.89 1.22 -0.26 1.22 1.08 -1.23 0.37 117.51 120.79 3ejm h ILE 46 Ca 0.19 -0.70 -0.12 0.00 -0.39 0.00 0.00 64.86 63.84 3ejm h ILE 46 Cb 0.40 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 3ejm h ILE 46 CO 0.01 0.26 -0.32 -0.33 -0.69 0.00 0.00 178.15 177.07 3ejm h GLU 47 N 0.61 0.55 -0.30 2.37 5.08 -0.69 -1.30 114.58 120.91 3ejm h GLU 47 Ca 0.15 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 3ejm h GLU 47 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3ejm h GLU 47 CO -0.01 0.80 -0.44 0.37 -1.00 0.00 0.00 179.01 178.73 3ejm h GLN 48 N 0.47 0.77 -0.66 2.33 4.15 -0.71 -1.44 115.11 120.02 3ejm h GLN 48 Ca 0.06 -0.43 0.06 0.00 0.77 0.00 0.00 58.65 59.11 3ejm h GLN 48 Cb 0.79 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.45 3ejm h GLN 48 CO 0.06 1.05 0.37 1.25 -1.93 0.00 0.00 178.83 179.64 3ejm h HIS 49 N 0.62 0.68 -0.72 3.99 2.76 0.11 -2.68 115.15 119.90 3ejm h HIS 49 Ca 0.04 0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 58.02 3ejm h HIS 49 Cb 1.01 -0.21 -0.13 0.00 1.55 0.00 0.00 27.41 29.63 3ejm h HIS 49 CO 0.05 0.33 0.26 0.66 -1.30 0.00 0.00 177.93 177.93 3ejm n TYR 50 N -4.79 2.40 0.08 5.26 4.02 -0.52 -4.68 117.16 118.93 3ejm n TYR 50 Ca 0.08 -1.22 0.18 0.00 -0.01 0.00 0.00 57.90 56.94 3ejm n TYR 50 Cb 0.17 -0.68 0.71 0.00 -0.02 0.00 0.00 39.34 39.52 3ejm n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3ejm h LYS 51 N 2.60 0.00 0.00 -0.72 2.10 -0.90 1.00 116.57 120.65 3ejm h LYS 51 Ca 0.26 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.90 3ejm h LYS 51 Cb 2.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.64 3ejm h LYS 51 CO 0.72 0.00 -0.04 1.49 -2.00 0.00 0.00 179.45 179.62 3ejm h GLU 52 N 0.00 0.00 -0.56 0.07 4.81 -1.85 -2.39 114.58 114.65 3ejm h GLU 52 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3ejm h GLU 52 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 3ejm h GLU 52 CO -0.00 0.04 0.00 0.72 -0.73 0.00 0.00 179.01 179.04 3ejm n HIS 53 N -3.80 0.75 0.27 0.92 8.25 0.34 -4.68 115.22 117.27 3ejm n HIS 53 Ca -0.03 -0.46 0.18 0.00 -0.26 0.00 0.00 57.72 57.15 3ejm n HIS 53 Cb 0.14 -0.01 0.89 0.00 1.12 0.00 0.00 29.99 32.13 3ejm n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3ejm h SER 54 N 3.57 0.00 -0.33 0.41 4.64 -1.45 0.24 113.55 120.64 3ejm h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ejm h SER 54 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3ejm h SER 54 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3ejm n GLU 55 N -3.30 2.26 -2.93 4.77 -0.58 -1.26 -4.91 120.64 114.69 3ejm n GLU 55 Ca 0.00 -1.99 -0.32 0.00 -0.42 0.00 0.00 57.16 54.43 3ejm n GLU 55 Cb 0.33 -1.35 -0.05 0.00 -0.57 0.00 0.00 31.44 29.79 3ejm n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3ejm s GLN 56 N -1.11 4.00 0.56 3.49 -1.52 0.07 -4.95 119.66 120.20 3ejm s GLN 56 Ca 0.28 0.75 0.24 0.00 -1.95 0.00 0.00 55.36 54.68 3ejm s GLN 56 Cb 0.16 -2.34 1.56 0.00 -0.22 0.00 0.00 33.01 32.17 3ejm s GLN 56 CO 0.21 0.03 2.19 0.66 -0.25 0.00 0.00 175.29 178.13 3ejm h SER 57 N 1.82 0.00 0.04 5.90 4.64 -1.94 -2.28 113.55 121.73 3ejm h SER 57 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3ejm h SER 57 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3ejm h SER 57 CO 0.64 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 176.51 3ejm n TYR 58 N -4.16 0.00 0.10 4.77 0.18 -1.26 -4.57 117.16 112.22 3ejm n TYR 58 Ca -0.02 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.63 3ejm n TYR 58 Cb 0.13 -0.03 -0.06 0.00 -0.38 0.00 0.00 39.34 39.00 3ejm n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3ejm h PHE 59 N 2.48 -0.77 -0.54 -3.48 3.04 -1.63 -0.68 116.94 115.35 3ejm h PHE 59 Ca 0.00 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 3ejm h PHE 59 Cb 0.60 0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.41 3ejm h PHE 59 CO 0.00 -0.39 0.08 -0.91 -2.02 0.00 0.00 178.31 175.07 3ejm h ASN 60 N -0.49 0.86 -0.42 0.41 2.35 -1.82 -0.71 115.58 115.76 3ejm h ASN 60 Ca 0.04 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.45 3ejm h ASN 60 Cb 0.53 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3ejm h ASN 60 CO -0.18 0.91 0.01 0.44 -1.65 0.00 0.00 177.43 176.96 3ejm h ASP 61 N 0.78 0.79 -0.46 5.81 3.32 -1.83 0.68 116.42 125.50 3ejm h ASP 61 Ca 0.16 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3ejm h ASP 61 Cb 0.42 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3ejm h ASP 61 CO 0.01 0.85 0.13 -1.13 -1.72 0.00 0.00 179.24 177.38 3ejm h ASN 62 N 0.77 0.69 -0.51 6.45 -1.24 -0.93 -0.75 115.58 120.05 3ejm h ASN 62 Ca 0.15 -0.22 -0.08 0.00 0.71 0.00 0.00 56.30 56.86 3ejm h ASN 62 Cb 0.45 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 3ejm h ASN 62 CO 0.02 0.73 -0.01 0.00 -1.29 0.00 0.00 177.43 176.88 3ejm h ASP 64 N 0.76 -0.25 -0.78 0.00 3.32 -0.79 -2.05 116.42 116.63 3ejm h ASP 64 Ca 0.14 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.34 3ejm h ASP 64 Cb 0.53 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.14 3ejm h ASP 64 CO 0.03 -0.11 0.43 0.15 -1.72 0.00 0.00 179.24 178.02 3ejm h PHE 65 N -0.09 0.78 0.00 4.55 3.04 -0.77 -2.73 116.94 121.72 3ejm h PHE 65 Ca 0.07 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.05 3ejm h PHE 65 Cb 0.19 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.47 3ejm h PHE 65 CO -0.20 0.31 0.00 0.52 -2.02 0.00 0.00 178.31 176.92 3ejm h MET 66 N 0.72 0.00 -0.54 1.11 2.86 -0.42 -1.34 114.93 117.33 3ejm h MET 66 Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 3ejm h MET 66 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3ejm h MET 66 CO -0.25 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.05 3ejm n VAL 67 N -2.65 1.42 1.50 -2.22 0.24 -0.92 -4.59 118.33 111.11 3ejm n VAL 67 Ca 0.02 -1.16 0.14 0.00 -2.04 0.00 0.00 64.34 61.31 3ejm n VAL 67 Cb 0.31 0.30 0.67 0.00 -1.47 0.00 0.00 33.84 33.64 3ejm n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3ejm n SER 68 N 0.92 0.43 -2.43 -1.34 3.41 -0.50 -4.85 113.62 109.25 3ejm n SER 68 Ca 0.21 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 3ejm n SER 68 Cb 0.68 -0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.56 3ejm n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ejm n GLY 69 N 1.23 0.59 3.77 5.00 0.00 -1.26 -5.08 105.19 109.43 3ejm n GLY 69 Ca 0.16 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 3ejm n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ejm s PRO 70 N -2.01 2.17 0.07 1.61 0.02 -1.17 -4.53 135.00 131.15 3ejm s PRO 70 Ca 0.15 1.05 0.01 0.00 0.02 0.00 0.00 61.00 62.23 3ejm s PRO 70 Cb -0.01 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 3ejm s PRO 70 CO 0.01 -1.67 -0.06 0.96 -0.33 0.00 0.00 177.00 175.91 3ejm s ILE 71 N -2.94 0.50 -0.10 2.83 -4.36 -0.47 -3.37 121.20 113.29 3ejm s ILE 71 Ca 0.61 -1.70 0.02 0.00 -0.26 0.00 0.00 60.65 59.32 3ejm s ILE 71 Cb -0.17 -1.38 -0.01 0.00 1.25 0.00 0.00 42.46 42.15 3ejm s ILE 71 CO 0.56 -0.81 -0.17 -0.63 0.24 0.00 0.00 174.94 174.13 3ejm s ILE 72 N -3.22 2.69 -0.15 8.37 1.01 -0.94 -0.50 121.20 128.45 3ejm s ILE 72 Ca 0.05 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 3ejm s ILE 72 Cb 0.03 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 3ejm s ILE 72 CO -0.05 0.55 0.04 -0.94 0.00 0.00 0.00 174.94 174.54 3ejm s SER 73 N 0.15 5.52 -0.01 3.58 1.04 -0.37 -0.34 113.70 123.28 3ejm s SER 73 Ca -0.09 0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.47 3ejm s SER 73 Cb -0.16 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.13 3ejm s SER 73 CO 0.06 0.25 -0.04 -0.63 0.98 0.00 0.00 173.24 173.86 3ejm s ILE 74 N -0.10 0.35 -0.23 -1.02 1.01 0.41 -1.56 121.20 120.06 3ejm s ILE 74 Ca 0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 3ejm s ILE 74 Cb -0.12 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 3ejm s ILE 74 CO 0.01 0.11 0.08 -0.69 0.00 0.00 0.00 174.94 174.46 3ejm s VAL 75 N 0.03 4.64 0.01 2.92 1.01 -0.29 -0.52 120.40 128.20 3ejm s VAL 75 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3ejm s VAL 75 Cb -0.03 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3ejm s VAL 75 CO -0.00 0.37 -0.03 -0.31 0.00 0.00 0.00 175.10 175.12 3ejm s TYR 76 N 1.16 2.97 -0.03 5.22 1.51 -0.58 -0.60 117.35 127.00 3ejm s TYR 76 Ca 0.05 0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.18 3ejm s TYR 76 Cb -0.14 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 3ejm s TYR 76 CO 0.04 0.42 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.69 3ejm s GLU 77 N -1.53 1.83 0.00 -0.62 2.12 0.01 -1.21 118.70 119.29 3ejm s GLU 77 Ca 0.19 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.79 3ejm s GLU 77 Cb -0.11 -1.67 0.00 0.00 0.26 0.00 0.00 34.13 32.60 3ejm s GLU 77 CO 0.09 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 3ejm n GLY 78 N 2.80 0.60 3.68 -1.50 0.00 -0.68 -1.78 105.19 108.30 3ejm n GLY 78 Ca -0.16 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 3ejm n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ejm s THR 79 N -2.00 3.50 -1.56 2.61 -1.32 -1.26 -0.61 115.64 115.00 3ejm s THR 79 Ca 0.00 0.88 -0.14 0.00 -1.21 0.00 0.00 61.69 61.22 3ejm s THR 79 Cb 0.00 -3.56 0.10 0.00 -1.51 0.00 0.00 72.50 67.52 3ejm s THR 79 CO 0.00 -0.01 0.88 0.47 -2.21 0.00 0.00 174.62 173.75 3ejm n ASP 80 N 5.66 -3.91 -0.10 8.08 10.43 -1.26 -4.86 116.55 130.59 3ejm n ASP 80 Ca 0.14 -0.86 0.09 0.00 2.57 0.00 0.00 54.79 56.73 3ejm n ASP 80 Cb 0.43 -3.52 0.44 0.00 1.84 0.00 0.00 41.12 40.30 3ejm n ASP 80 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ejm h ALA 81 N 0.94 1.86 0.44 2.24 0.00 -1.72 -2.32 119.26 120.70 3ejm h ALA 81 Ca -0.59 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 3ejm h ALA 81 Cb 1.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ejm h ALA 81 CO 0.70 0.03 -0.21 0.82 0.00 0.00 0.00 179.25 180.59 3ejm h ILE 82 N 0.55 0.45 -0.23 0.00 2.04 -1.88 -1.67 117.51 116.77 3ejm h ILE 82 Ca 0.27 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 3ejm h ILE 82 Cb 0.35 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3ejm h ILE 82 CO -0.08 0.07 -0.26 0.77 0.00 0.00 0.00 178.15 178.65 3ejm h SER 83 N -0.92 0.45 -0.25 1.72 4.64 -1.87 -2.26 113.55 115.06 3ejm h SER 83 Ca -0.06 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.00 3ejm h SER 83 Cb 0.57 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3ejm h SER 83 CO 0.10 0.70 -0.26 0.11 -0.87 0.00 0.00 176.83 176.61 3ejm h LYS 84 N 0.39 0.62 -0.28 4.77 1.57 -1.39 -1.31 116.57 120.94 3ejm h LYS 84 Ca 0.06 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 3ejm h LYS 84 Cb 0.67 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3ejm h LYS 84 CO 0.05 0.93 -0.26 0.82 -0.57 0.00 0.00 179.45 180.42 3ejm h ILE 85 N 0.33 1.27 -0.89 1.86 2.04 -1.31 -1.07 117.51 119.73 3ejm h ILE 85 Ca 0.04 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 3ejm h ILE 85 Cb 0.83 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 3ejm h ILE 85 CO 0.06 0.42 0.49 0.03 0.00 0.00 0.00 178.15 179.15 3ejm h ARG 86 N 0.47 1.25 -0.75 2.37 2.47 -1.27 -0.06 114.38 118.86 3ejm h ARG 86 Ca 0.07 -0.15 -0.05 0.00 -1.26 0.00 0.00 59.98 58.59 3ejm h ARG 86 Cb 0.70 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.74 3ejm h ARG 86 CO 0.05 0.91 0.27 -0.09 0.56 0.00 0.00 179.97 181.67 3ejm h ARG 87 N 1.25 1.14 -0.55 0.04 1.12 -0.80 -2.71 114.38 113.88 3ejm h ARG 87 Ca 0.31 -0.23 -0.05 0.00 -1.11 0.00 0.00 59.98 58.91 3ejm h ARG 87 Cb 0.03 -0.17 -0.03 0.00 -0.01 0.00 0.00 29.97 29.79 3ejm h ARG 87 CO -0.05 0.95 0.13 -0.07 -3.11 0.00 0.00 179.97 177.82 3ejm h LEU 88 N 1.10 0.79 -0.01 3.80 4.07 -0.47 -3.25 115.31 121.33 3ejm h LEU 88 Ca 0.25 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 3ejm h LEU 88 Cb 0.26 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 3ejm h LEU 88 CO -0.01 0.78 0.00 -0.61 -1.08 0.00 0.00 178.44 177.52 3ejm h GLN 89 N 0.82 0.01 0.00 1.13 4.15 -0.71 0.68 115.11 121.19 3ejm h GLN 89 Ca 0.18 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3ejm h GLN 89 Cb 0.31 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3ejm h GLN 89 CO -0.00 0.10 0.00 0.41 -1.93 0.00 0.00 178.83 177.41 3ejm n GLY 90 N -0.85 0.45 3.76 2.39 0.00 -1.13 -1.20 105.19 108.61 3ejm n GLY 90 Ca -0.07 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 3ejm n GLY 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ejm s ASN 91 N -1.49 5.68 0.34 1.61 3.84 -1.26 -4.86 114.94 118.80 3ejm s ASN 91 Ca 0.00 2.87 0.04 0.00 0.21 0.00 0.00 52.86 55.98 3ejm s ASN 91 Cb 0.00 -2.65 0.67 0.00 -0.55 0.00 0.00 41.25 38.72 3ejm s ASN 91 CO 0.00 -1.30 1.94 0.74 -2.79 0.00 0.00 177.10 175.69 3ejm h THR 92 N 2.02 1.04 -3.28 -5.21 2.02 -1.94 -3.40 112.91 104.16 3ejm h THR 92 Ca -0.51 -0.29 -0.59 0.00 0.77 0.00 0.00 66.41 65.79 3ejm h THR 92 Cb 1.28 0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 67.72 3ejm h THR 92 CO 0.60 0.15 0.46 0.21 0.37 0.00 0.00 175.52 177.31 3ejm s ASN 93 N -6.15 6.87 0.12 4.18 3.84 -1.26 -4.39 114.94 118.15 3ejm s ASN 93 Ca -0.10 1.08 0.17 0.00 0.21 0.00 0.00 52.86 54.21 3ejm s ASN 93 Cb 0.19 -2.44 0.72 0.00 -0.55 0.00 0.00 41.25 39.18 3ejm s ASN 93 CO 0.78 -0.49 1.52 -2.65 -2.79 0.00 0.00 177.10 173.46 3ejm n PRO 94 N 5.83 0.08 0.12 0.43 -0.02 -1.26 0.07 135.00 140.25 3ejm n PRO 94 Ca 0.05 0.37 0.13 0.00 -2.02 0.00 0.00 63.50 62.03 3ejm n PRO 94 Cb 0.48 -1.67 0.44 0.00 -0.02 0.00 0.00 33.50 32.72 3ejm n PRO 94 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ejm h LEU 95 N 0.00 0.00 0.00 2.45 3.38 -1.95 -3.36 115.31 115.83 3ejm h LEU 95 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ejm h LEU 95 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ejm h LEU 95 CO 0.00 0.00 -0.98 0.00 0.09 0.00 0.00 178.44 177.55 3ejm n ALA 96 N -1.81 1.97 -2.05 1.53 0.00 0.11 -5.04 120.51 115.22 3ejm n ALA 96 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 3ejm n ALA 96 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 3ejm n ALA 96 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ejm s SER 97 N -1.96 6.84 0.18 0.00 1.04 -0.64 -4.72 113.70 114.43 3ejm s SER 97 Ca 0.00 2.40 -0.28 0.00 0.48 0.00 0.00 55.95 58.55 3ejm s SER 97 Cb 0.00 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.44 3ejm s SER 97 CO 0.00 -0.60 0.87 0.00 0.98 0.00 0.00 173.24 174.49 3ejm s ALA 98 N 0.49 3.37 0.50 5.32 0.00 -1.26 -4.45 121.76 125.72 3ejm s ALA 98 Ca 0.60 0.49 -0.22 0.00 0.00 0.00 0.00 51.96 52.82 3ejm s ALA 98 Cb -0.37 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 3ejm s ALA 98 CO 0.36 0.19 1.12 -2.30 0.00 0.00 0.00 175.76 175.13 3ejm n PRO 99 N 1.85 1.43 0.00 0.00 -0.02 -1.26 -1.35 135.00 135.64 3ejm n PRO 99 Ca -0.03 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3ejm n PRO 99 Cb 0.48 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3ejm n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ejm n GLY 100 N 1.04 3.00 3.88 -1.23 0.00 -1.26 -4.95 105.19 105.67 3ejm n GLY 100 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3ejm n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ejm s THR 101 N -2.69 4.60 0.13 2.61 -4.23 -0.46 -4.91 115.64 110.69 3ejm s THR 101 Ca 0.00 0.72 -0.21 0.00 -1.18 0.00 0.00 61.69 61.02 3ejm s THR 101 Cb 0.00 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 3ejm s THR 101 CO 0.00 -1.04 1.67 0.40 -0.54 0.00 0.00 174.62 175.11 3ejm h ILE 102 N -0.27 0.62 -0.05 2.99 2.04 -0.90 -0.74 117.51 121.20 3ejm h ILE 102 Ca -0.45 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.22 3ejm h ILE 102 Cb 1.20 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3ejm h ILE 102 CO 0.62 0.00 -0.80 0.03 0.00 0.00 0.00 178.15 178.00 3ejm h ARG 103 N -0.14 0.40 -0.73 2.37 3.08 -1.39 -1.15 114.38 116.81 3ejm h ARG 103 Ca 0.10 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 3ejm h ARG 103 Cb 0.30 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3ejm h ARG 103 CO -0.25 1.01 0.34 0.78 -1.07 0.00 0.00 179.97 180.78 3ejm h GLY 104 N 1.30 1.12 1.48 0.04 0.00 -1.62 -1.22 103.07 104.17 3ejm h GLY 104 Ca -0.05 -0.55 -0.27 0.00 0.00 0.00 0.00 47.33 46.47 3ejm h GLY 104 CO 0.14 0.52 -1.36 -0.55 0.00 0.00 0.00 176.54 175.29 3ejm h ASP 105 N 1.03 0.15 0.00 0.19 3.32 -1.07 -3.42 116.42 116.63 3ejm h ASP 105 Ca 0.25 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ejm h ASP 105 Cb 0.12 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3ejm h ASP 105 CO -0.03 1.17 -0.82 0.18 -1.72 0.00 0.00 179.24 178.02 3ejm n LEU 106 N -3.32 0.00 -4.89 1.55 4.77 -0.44 -5.05 117.00 109.61 3ejm n LEU 106 Ca -0.10 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.54 3ejm n LEU 106 Cb 1.01 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.04 3ejm n LEU 106 CO 0.48 0.00 -0.17 0.00 -1.33 0.00 0.00 177.39 176.37 3ejm s ALA 107 N -1.72 3.92 -0.07 -1.18 0.00 -0.47 -5.01 121.76 117.22 3ejm s ALA 107 Ca 0.00 -0.75 0.20 0.00 0.00 0.00 0.00 51.96 51.41 3ejm s ALA 107 Cb 0.00 -1.88 0.42 0.00 0.00 0.00 0.00 23.12 21.66 3ejm s ALA 107 CO 0.00 0.72 1.18 -1.71 0.00 0.00 0.00 175.76 175.96 3ejm n ASN 108 N 1.13 1.24 -3.70 0.00 5.15 -1.26 -4.78 115.26 113.04 3ejm n ASN 108 Ca -0.12 -2.67 -0.14 0.00 -0.60 0.00 0.00 54.58 51.04 3ejm n ASN 108 Cb 0.53 -0.38 -0.09 0.00 -0.53 0.00 0.00 39.78 39.31 3ejm n ASN 108 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ejm s ASP 109 N -2.42 -0.45 0.41 1.20 -1.08 -1.25 -4.97 116.67 108.11 3ejm s ASP 109 Ca 0.35 0.74 0.19 0.00 -0.52 0.00 0.00 52.55 53.31 3ejm s ASP 109 Cb 0.37 0.78 0.89 0.00 -1.46 0.00 0.00 42.92 43.50 3ejm s ASP 109 CO -0.13 -0.27 1.85 -0.29 0.52 0.00 0.00 175.17 176.84 3ejm h ILE 110 N 4.12 0.91 0.00 4.11 2.10 -1.98 -3.34 117.51 123.43 3ejm h ILE 110 Ca -0.28 -1.19 -0.35 0.00 1.08 0.00 0.00 64.86 64.12 3ejm h ILE 110 Cb 1.17 1.71 -0.05 0.00 -1.09 0.00 0.00 36.82 38.56 3ejm h ILE 110 CO 0.27 0.30 -2.04 -1.14 -1.08 0.00 0.00 178.15 174.46 3ejm n ARG 111 N -3.72 0.57 -2.61 2.19 0.63 -1.26 -4.63 116.66 107.83 3ejm n ARG 111 Ca -0.01 0.34 -0.42 0.00 -0.92 0.00 0.00 57.85 56.83 3ejm n ARG 111 Cb 0.41 -1.55 -0.01 0.00 0.45 0.00 0.00 32.46 31.75 3ejm n ARG 111 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3ejm s GLU 112 N -2.51 3.83 -0.12 -0.14 2.02 -1.25 -4.67 118.70 115.86 3ejm s GLU 112 Ca -0.35 -1.69 0.15 0.00 0.02 0.00 0.00 54.97 53.09 3ejm s GLU 112 Cb 0.11 -5.41 0.28 0.00 0.10 0.00 0.00 34.13 29.21 3ejm s GLU 112 CO 0.50 -2.19 1.14 0.27 0.02 0.00 0.00 175.26 175.00 3ejm n ASN 113 N 8.31 1.75 0.00 -0.19 0.23 -1.26 -3.95 115.26 120.15 3ejm n ASN 113 Ca 0.41 -3.01 0.00 0.00 -0.53 0.00 0.00 54.58 51.45 3ejm n ASN 113 Cb 0.48 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 3ejm n ASN 113 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3ejm n LEU 114 N -1.02 0.00 -3.76 -4.53 4.77 -1.26 -4.82 117.00 106.38 3ejm n LEU 114 Ca 0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 3ejm n LEU 114 Cb 0.69 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.67 3ejm n LEU 114 CO -0.00 0.00 -0.02 -0.51 -1.33 0.00 0.00 177.39 175.53 3ejm s ILE 115 N 0.00 -0.00 -0.09 -0.08 2.07 -1.26 -1.34 121.20 120.50 3ejm s ILE 115 Ca 0.00 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.22 3ejm s ILE 115 Cb 0.00 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 3ejm s ILE 115 CO 0.00 0.01 0.06 -2.28 -1.91 0.00 0.00 174.94 170.81 3ejm s HIS 116 N 0.29 3.33 -0.01 3.50 5.65 0.16 -4.96 115.29 123.25 3ejm s HIS 116 Ca -0.01 0.31 0.01 0.00 0.25 0.00 0.00 55.06 55.62 3ejm s HIS 116 Cb -0.03 -1.83 0.00 0.00 -1.18 0.00 0.00 32.58 29.54 3ejm s HIS 116 CO -0.01 0.57 -0.02 0.00 -0.65 0.00 0.00 174.74 174.63 3ejm s ALA 117 N -0.97 0.24 0.30 1.58 0.00 -1.26 -1.32 121.76 120.32 3ejm s ALA 117 Ca 0.15 -0.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.77 3ejm s ALA 117 Cb -0.12 -0.11 -0.14 0.00 0.00 0.00 0.00 23.12 22.76 3ejm s ALA 117 CO 0.04 0.03 1.01 0.43 0.00 0.00 0.00 175.76 177.27 3ejm n SER 118 N 3.23 1.29 -0.96 0.00 7.64 -0.64 -4.92 113.62 119.26 3ejm n SER 118 Ca -0.15 1.17 0.12 0.00 1.01 0.00 0.00 58.87 61.01 3ejm n SER 118 Cb 0.57 -1.29 0.12 0.00 -1.01 0.00 0.00 64.21 62.60 3ejm n SER 118 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3ejm n ASP 119 N 1.18 3.02 -3.66 6.43 5.68 -1.26 -4.79 116.55 123.15 3ejm n ASP 119 Ca 0.09 -1.96 -0.04 0.00 -0.50 0.00 0.00 54.79 52.38 3ejm n ASP 119 Cb 0.32 -0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 40.24 3ejm n ASP 119 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3ejm s SER 120 N -1.83 -0.21 0.20 -1.12 1.04 -1.26 -4.96 113.70 105.56 3ejm s SER 120 Ca 0.29 -0.24 -0.10 0.00 0.48 0.00 0.00 55.95 56.38 3ejm s SER 120 Cb 0.20 0.40 0.19 0.00 0.10 0.00 0.00 66.02 66.91 3ejm s SER 120 CO 0.29 -0.72 1.83 -0.33 0.98 0.00 0.00 173.24 175.30 3ejm h GLU 121 N 2.00 0.75 -0.34 4.02 5.08 -1.96 0.11 114.58 124.24 3ejm h GLU 121 Ca -0.24 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.00 3ejm h GLU 121 Cb 1.23 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3ejm h GLU 121 CO 0.27 0.50 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.25 3ejm h ASP 122 N 0.77 0.67 -0.06 1.42 3.32 -2.00 -2.40 116.42 118.14 3ejm h ASP 122 Ca 0.28 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 3ejm h ASP 122 Cb 0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3ejm h ASP 122 CO -0.13 0.88 -0.33 0.77 -1.72 0.00 0.00 179.24 178.71 3ejm h SER 123 N 0.45 0.57 -0.52 6.45 4.64 -1.91 -2.41 113.55 120.82 3ejm h SER 123 Ca 0.09 -0.23 0.04 0.00 -0.47 0.00 0.00 61.79 61.22 3ejm h SER 123 Cb 0.59 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.48 3ejm h SER 123 CO 0.03 0.86 0.28 0.00 -0.87 0.00 0.00 176.83 177.14 3ejm h ALA 124 N 1.17 0.67 -0.39 5.18 0.00 -0.86 0.50 119.26 125.53 3ejm h ALA 124 Ca 0.05 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ejm h ALA 124 Cb 0.80 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3ejm h ALA 124 CO 0.07 -0.05 0.24 0.28 0.00 0.00 0.00 179.25 179.79 3ejm h VAL 125 N 0.55 1.07 -0.20 0.00 2.07 -1.22 -0.30 116.25 118.22 3ejm h VAL 125 Ca 0.22 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 3ejm h VAL 125 Cb 0.10 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3ejm h VAL 125 CO -0.14 0.09 0.11 0.44 0.02 0.00 0.00 177.57 178.10 3ejm h ASP 126 N 0.50 0.25 -0.14 0.57 3.45 -1.11 -1.84 116.42 118.09 3ejm h ASP 126 Ca 0.15 -0.08 -0.15 0.00 0.43 0.00 0.00 57.03 57.38 3ejm h ASP 126 Cb -0.03 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 3ejm h ASP 126 CO -0.05 0.26 -0.42 -0.33 -1.57 0.00 0.00 179.24 177.13 3ejm h GLU 127 N 0.23 0.68 -0.70 3.56 5.08 -0.69 -1.97 114.58 120.77 3ejm h GLU 127 Ca 0.07 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3ejm h GLU 127 Cb 0.06 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3ejm h GLU 127 CO -0.01 0.98 0.38 0.82 -1.00 0.00 0.00 179.01 180.18 3ejm h ILE 128 N 0.56 1.21 0.00 3.13 2.04 -1.00 -2.08 117.51 121.37 3ejm h ILE 128 Ca 0.04 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 3ejm h ILE 128 Cb 0.96 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3ejm h ILE 128 CO 0.09 0.24 -0.23 0.77 0.00 0.00 0.00 178.15 179.02 3ejm h SER 129 N 0.96 0.00 -0.10 1.72 4.64 -0.90 0.17 113.55 120.04 3ejm h SER 129 Ca 0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 3ejm h SER 129 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3ejm h SER 129 CO -0.04 0.23 -0.10 0.40 -0.87 0.00 0.00 176.83 176.45 3ejm h ILE 130 N 0.00 1.36 0.00 0.95 2.04 -0.72 -3.11 117.51 118.04 3ejm h ILE 130 Ca -0.00 -1.26 -0.11 0.00 1.00 0.00 0.00 64.86 64.49 3ejm h ILE 130 Cb 0.53 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 3ejm h ILE 130 CO 0.03 0.36 -1.32 0.79 0.00 0.00 0.00 178.15 178.00 3ejm n TRP 131 N -4.65 0.91 -3.26 1.37 7.02 -0.87 -4.33 117.44 113.63 3ejm n TRP 131 Ca -0.07 0.29 -0.25 0.00 -1.02 0.00 0.00 57.50 56.45 3ejm n TRP 131 Cb 0.33 -1.02 -0.07 0.00 -2.42 0.00 0.00 31.31 28.13 3ejm n TRP 131 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3ejm n PHE 132 N -2.78 1.38 0.06 -5.99 3.72 0.57 -4.92 117.46 109.51 3ejm n PHE 132 Ca -0.07 -3.82 0.11 0.00 -0.05 0.00 0.00 57.45 53.62 3ejm n PHE 132 Cb 0.73 -0.44 0.57 0.00 -0.94 0.00 0.00 39.48 39.41 3ejm n PHE 132 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3ejm h PRO 133 N 3.95 0.21 0.00 -1.08 0.11 -1.71 -3.41 132.00 130.07 3ejm h PRO 133 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3ejm h PRO 133 Cb 0.79 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3ejm h PRO 133 CO 0.62 0.14 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70