#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm n ASN 3 N 0.00 1.45 -1.38 1.61 2.04 -1.26 -5.10 115.26 112.62 1ibm n ASN 3 Ca 0.00 -0.45 0.00 0.00 -0.44 0.00 0.00 54.58 53.69 1ibm n ASN 3 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1ibm n ASN 3 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1ibm n LYS 4 N -0.12 -3.90 -3.50 -3.83 5.02 -1.26 -5.06 118.16 105.51 1ibm n LYS 4 Ca 0.00 2.83 -0.19 0.00 -2.02 0.00 0.00 58.31 58.93 1ibm n LYS 4 Cb 0.00 -3.14 -0.01 0.00 -0.02 0.00 0.00 35.03 31.86 1ibm n LYS 4 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1ibm s ILE 5 N -2.11 3.75 -0.23 -0.18 -5.25 -1.26 -5.02 121.20 110.89 1ibm s ILE 5 Ca 0.00 -1.10 -0.30 0.00 -0.99 0.00 0.00 60.65 58.26 1ibm s ILE 5 Cb 0.00 -3.29 -0.07 0.00 2.95 0.00 0.00 42.46 42.06 1ibm s ILE 5 CO 0.00 -0.14 2.20 1.57 -1.79 0.00 0.00 174.94 176.79 1ibm n HIS 6 N -1.60 1.92 0.04 1.37 -0.00 -1.26 -4.79 115.22 110.91 1ibm n HIS 6 Ca 0.01 -0.06 0.22 0.00 -0.00 0.00 0.00 57.72 57.89 1ibm n HIS 6 Cb 0.59 -2.69 0.71 0.00 -0.00 0.00 0.00 29.99 28.60 1ibm n HIS 6 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ibm h PRO 7 N 14.30 0.00 0.00 1.57 0.13 -1.95 0.61 132.00 146.66 1ibm h PRO 7 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1ibm h PRO 7 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ibm h PRO 7 CO 0.97 0.00 -0.00 0.82 -0.23 0.00 0.00 178.00 179.56 1ibm h ILE 8 N 0.00 0.00 -1.19 -3.56 2.04 -1.86 -2.25 117.51 110.69 1ibm h ILE 8 Ca 0.24 -0.51 0.34 0.00 1.00 0.00 0.00 64.86 65.93 1ibm h ILE 8 Cb 1.32 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.31 1ibm h ILE 8 CO -0.00 0.00 0.80 1.23 0.00 0.00 0.00 178.15 180.17 1ibm h GLY 9 N -0.51 0.90 0.95 5.37 0.00 -1.72 2.18 103.07 110.23 1ibm h GLY 9 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1ibm h GLY 9 CO 0.00 -0.17 -0.21 -2.75 0.00 0.00 0.00 176.54 173.41 1ibm h PHE 10 N 0.20 0.81 -0.24 5.60 3.57 0.11 -3.13 116.94 123.86 1ibm h PHE 10 Ca 0.66 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.95 1ibm h PHE 10 Cb 2.08 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.64 1ibm h PHE 10 CO -0.00 0.94 0.00 0.54 -2.23 0.00 0.00 178.31 177.55 1ibm n ARG 11 N -4.32 2.13 -0.39 1.11 1.74 0.34 -4.52 116.66 112.76 1ibm n ARG 11 Ca -0.03 -1.70 0.31 0.00 -0.77 0.00 0.00 57.85 55.66 1ibm n ARG 11 Cb 0.42 -1.46 0.58 0.00 -1.02 0.00 0.00 32.46 30.98 1ibm n ARG 11 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ibm h LEU 12 N 3.49 0.35 -1.37 0.55 3.38 0.31 0.60 115.31 122.63 1ibm h LEU 12 Ca 0.00 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1ibm h LEU 12 Cb 0.76 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1ibm h LEU 12 CO 0.00 -0.11 -0.05 1.23 0.09 0.00 0.00 178.44 179.60 1ibm h GLY 13 N 0.21 0.38 0.00 0.83 0.00 -1.79 -3.41 103.07 99.29 1ibm h GLY 13 Ca 0.74 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1ibm h GLY 13 CO -0.43 0.21 0.00 1.39 0.00 0.00 0.00 176.54 177.71 1ibm n ILE 14 N -4.30 0.00 -0.46 2.60 2.08 0.21 -4.90 119.36 114.59 1ibm n ILE 14 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ibm n ILE 14 Cb 0.24 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.13 1ibm n ILE 14 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1ibm n THR 15 N 0.00 0.00 0.00 1.39 -2.24 -1.25 -4.41 114.28 107.77 1ibm n THR 15 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ibm n THR 15 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ibm n THR 15 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ibm n ARG 16 N -0.15 0.00 -3.88 -0.78 3.00 -1.26 -4.65 116.66 108.94 1ibm n ARG 16 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 1ibm n ARG 16 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1ibm n ARG 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ibm s ASP 17 N 0.00 5.69 1.14 6.15 1.01 -1.26 -4.37 116.67 125.02 1ibm s ASP 17 Ca 0.00 -0.25 -0.12 0.00 0.71 0.00 0.00 52.55 52.88 1ibm s ASP 17 Cb 0.00 -1.33 0.27 0.00 1.01 0.00 0.00 42.92 42.87 1ibm s ASP 17 CO 0.00 -0.21 1.04 0.26 0.21 0.00 0.00 175.17 176.47 1ibm s TRP 18 N -2.16 1.32 -0.28 4.23 0.51 -1.26 -4.93 118.94 116.36 1ibm s TRP 18 Ca 0.38 1.30 0.14 0.00 -2.12 0.00 0.00 56.10 55.80 1ibm s TRP 18 Cb -0.08 -3.13 0.82 0.00 -0.81 0.00 0.00 33.47 30.27 1ibm s TRP 18 CO 0.27 -3.81 1.75 0.39 -0.51 0.00 0.00 176.95 175.04 1ibm n GLU 19 N -4.89 4.84 -3.15 4.98 1.02 -1.26 -4.69 120.64 117.50 1ibm n GLU 19 Ca 0.04 -3.16 0.05 0.00 -0.02 0.00 0.00 57.16 54.07 1ibm n GLU 19 Cb 0.54 -2.25 -0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1ibm n GLU 19 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1ibm s SER 20 N -0.82 -0.85 -0.23 1.62 0.01 -1.26 -2.81 113.70 109.36 1ibm s SER 20 Ca 0.55 0.13 0.09 0.00 1.31 0.00 0.00 55.95 58.03 1ibm s SER 20 Cb 0.41 1.55 0.63 0.00 0.21 0.00 0.00 66.02 68.83 1ibm s SER 20 CO 0.16 -0.16 1.55 0.54 0.41 0.00 0.00 173.24 175.75 1ibm n ARG 21 N 5.24 3.64 -1.78 12.44 1.74 -1.06 -4.96 116.66 131.93 1ibm n ARG 21 Ca 0.07 -2.49 -0.14 0.00 -0.77 0.00 0.00 57.85 54.51 1ibm n ARG 21 Cb 0.56 -2.08 0.08 0.00 -1.02 0.00 0.00 32.46 30.00 1ibm n ARG 21 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1ibm n TRP 22 N 0.20 -3.17 -3.93 -1.55 4.27 -1.26 -4.86 117.44 107.14 1ibm n TRP 22 Ca 0.28 -1.06 -0.11 0.00 -3.89 0.00 0.00 57.50 52.71 1ibm n TRP 22 Cb 1.11 -0.46 -0.13 0.00 -1.36 0.00 0.00 31.31 30.46 1ibm n TRP 22 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1ibm s TYR 23 N -1.88 0.14 0.09 -2.67 6.04 -1.26 -5.03 117.35 112.78 1ibm s TYR 23 Ca 0.41 -0.18 -0.07 0.00 0.04 0.00 0.00 57.07 57.27 1ibm s TYR 23 Cb -0.02 -0.10 -0.01 0.00 -1.04 0.00 0.00 41.96 40.79 1ibm s TYR 23 CO 0.27 -0.06 0.14 0.00 -1.54 0.00 0.00 175.55 174.36 1ibm s ALA 24 N -0.50 0.02 0.51 3.97 0.00 -1.26 -4.97 121.76 119.52 1ibm s ALA 24 Ca -0.05 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1ibm s ALA 24 Cb -0.04 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.61 1ibm s ALA 24 CO -0.00 -0.49 0.60 0.20 0.00 0.00 0.00 175.76 176.07 1ibm s GLY 25 N -2.89 1.97 0.14 0.00 0.00 -1.26 -4.58 107.32 100.70 1ibm s GLY 25 Ca 0.07 -1.83 -0.18 0.00 0.00 0.00 0.00 44.72 42.78 1ibm s GLY 25 CO -0.09 -1.70 1.14 0.28 0.00 0.00 0.00 173.10 172.73 1ibm n LYS 26 N -1.95 -0.25 0.00 2.90 4.76 -1.26 0.10 118.16 122.46 1ibm n LYS 26 Ca 0.09 1.12 0.14 0.00 -2.87 0.00 0.00 58.31 56.78 1ibm n LYS 26 Cb 0.62 -1.65 0.52 0.00 -1.84 0.00 0.00 35.03 32.67 1ibm n LYS 26 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1ibm n LYS 27 N -5.00 1.00 0.00 1.97 2.85 -1.26 -4.38 118.16 113.34 1ibm n LYS 27 Ca 0.04 -0.49 0.00 0.00 -1.05 0.00 0.00 58.31 56.81 1ibm n LYS 27 Cb 0.24 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 1ibm n LYS 27 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1ibm n GLN 28 N -0.57 0.00 0.00 -1.58 1.13 0.28 -4.70 117.38 111.94 1ibm n GLN 28 Ca 0.15 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 1ibm n GLN 28 Cb 0.31 -0.58 0.00 0.00 0.11 0.00 0.00 30.24 30.08 1ibm n GLN 28 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1ibm n TYR 29 N -1.62 0.00 -0.25 1.08 9.36 0.07 -1.55 117.16 124.24 1ibm n TYR 29 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1ibm n TYR 29 Cb 0.00 -0.13 -0.06 0.00 -0.63 0.00 0.00 39.34 38.52 1ibm n TYR 29 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ibm n ARG 30 N -1.79 -0.26 -0.04 2.98 1.74 -1.26 -1.13 116.66 116.89 1ibm n ARG 30 Ca 0.00 1.13 -0.12 0.00 -0.77 0.00 0.00 57.85 58.09 1ibm n ARG 30 Cb 0.00 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 1ibm n ARG 30 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ibm h HIS 31 N 0.00 0.27 0.00 -1.55 3.86 -1.58 0.28 115.15 116.43 1ibm h HIS 31 Ca 0.10 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1ibm h HIS 31 Cb 0.24 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1ibm h HIS 31 CO -0.83 0.50 0.01 -0.11 0.86 0.00 0.00 177.93 178.36 1ibm n LEU 32 N -4.75 0.00 -0.02 2.43 0.00 -0.64 -2.13 117.00 111.88 1ibm n LEU 32 Ca -0.06 0.20 -0.05 0.00 0.00 0.00 0.00 56.01 56.10 1ibm n LEU 32 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 43.42 43.42 1ibm n LEU 32 CO 0.36 -0.20 -0.52 -0.11 0.00 0.00 0.00 177.39 176.91 1ibm n LEU 33 N -1.19 0.80 -0.28 -1.96 0.00 -0.29 -4.14 117.00 109.95 1ibm n LEU 33 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 56.01 56.12 1ibm n LEU 33 Cb 0.01 -0.29 0.04 0.00 0.00 0.00 0.00 43.42 43.18 1ibm n LEU 33 CO 0.00 -0.15 0.64 0.25 0.00 0.00 0.00 177.39 178.12 1ibm h LEU 34 N -0.25 -1.13 0.32 -1.96 6.46 -0.65 0.62 115.31 118.72 1ibm h LEU 34 Ca -0.11 0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1ibm h LEU 34 Cb 0.81 0.61 -0.02 0.00 -0.73 0.00 0.00 40.66 41.33 1ibm h LEU 34 CO -0.07 -0.29 -0.32 -0.08 -0.62 0.00 0.00 178.44 177.07 1ibm h GLU 35 N -0.07 -0.64 -1.34 1.25 4.81 -1.68 -0.74 114.58 116.17 1ibm h GLU 35 Ca 0.31 0.04 0.41 0.00 -0.13 0.00 0.00 59.36 60.00 1ibm h GLU 35 Cb 0.58 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 30.00 1ibm h GLU 35 CO -0.82 -0.43 0.89 0.22 -0.73 0.00 0.00 179.01 178.15 1ibm h ASP 36 N -0.67 0.22 0.02 1.04 1.82 -0.48 0.42 116.42 118.78 1ibm h ASP 36 Ca -0.02 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1ibm h ASP 36 Cb 0.60 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1ibm h ASP 36 CO -0.06 -0.09 -0.01 -0.61 -1.61 0.00 0.00 179.24 176.87 1ibm h GLN 37 N 0.12 -0.02 -0.79 0.28 5.75 0.14 -3.12 115.11 117.47 1ibm h GLN 37 Ca 0.76 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 59.42 1ibm h GLN 37 Cb 2.50 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 31.00 1ibm h GLN 37 CO -0.29 0.65 0.52 0.00 -2.65 0.00 0.00 178.83 177.07 1ibm h ARG 38 N -0.72 0.44 -0.00 1.69 3.08 0.73 -0.22 114.38 119.38 1ibm h ARG 38 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ibm h ARG 38 Cb 0.68 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1ibm h ARG 38 CO 0.00 0.29 -0.01 0.82 -1.07 0.00 0.00 179.97 180.01 1ibm h ILE 39 N 0.45 0.00 -1.07 2.04 2.04 -0.72 0.33 117.51 120.59 1ibm h ILE 39 Ca 0.39 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.55 1ibm h ILE 39 Cb 0.87 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 1ibm h ILE 39 CO -0.14 0.00 0.75 0.03 0.00 0.00 0.00 178.15 178.79 1ibm h ARG 40 N -0.01 0.11 -0.13 2.37 3.08 -1.33 -2.32 114.38 116.15 1ibm h ARG 40 Ca 0.00 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1ibm h ARG 40 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1ibm h ARG 40 CO -0.00 0.07 -0.08 0.78 -1.07 0.00 0.00 179.97 179.67 1ibm h GLY 41 N 0.11 -2.44 1.64 0.04 0.00 0.14 0.27 103.07 102.83 1ibm h GLY 41 Ca 0.53 1.11 -0.13 0.00 0.00 0.00 0.00 47.33 48.84 1ibm h GLY 41 CO -0.09 -0.88 -0.47 1.41 0.00 0.00 0.00 176.54 176.51 1ibm h LEU 42 N -0.00 0.43 -0.63 3.11 3.38 -1.09 -1.59 115.31 118.91 1ibm h LEU 42 Ca 0.02 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1ibm h LEU 42 Cb 0.06 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1ibm h LEU 42 CO -0.12 0.84 0.29 -0.07 0.09 0.00 0.00 178.44 179.46 1ibm h LEU 43 N 0.32 0.36 -0.04 1.67 -0.00 -0.92 0.83 115.31 117.53 1ibm h LEU 43 Ca 0.02 0.06 -0.25 0.00 -0.00 0.00 0.00 57.88 57.71 1ibm h LEU 43 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1ibm h LEU 43 CO 0.08 0.22 -1.08 -0.33 -0.00 0.00 0.00 178.44 177.33 1ibm h GLU 44 N 0.52 0.36 -0.21 1.13 5.08 -0.46 -1.10 114.58 119.90 1ibm h GLU 44 Ca 0.30 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1ibm h GLU 44 Cb 0.31 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1ibm h GLU 44 CO -0.25 1.16 -0.06 0.87 -1.00 0.00 0.00 179.01 179.73 1ibm h LYS 45 N 0.16 0.33 0.00 2.33 1.79 -0.30 -3.37 116.57 117.51 1ibm h LYS 45 Ca -0.11 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1ibm h LYS 45 Cb 1.75 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.35 1ibm h LYS 45 CO 0.18 0.41 0.00 0.39 -1.08 0.00 0.00 179.45 179.35 1ibm n GLU 46 N -4.30 0.00 0.00 3.15 -0.58 0.28 -4.68 120.64 114.51 1ibm n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ibm n GLU 46 Cb 0.24 -0.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.71 1ibm n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ibm n LEU 47 N -2.33 0.00 -0.03 -4.62 4.32 -0.42 -3.93 117.00 110.00 1ibm n LEU 47 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.83 1ibm n LEU 47 Cb 0.00 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.67 1ibm n LEU 47 CO 0.00 0.00 0.28 0.22 -1.22 0.00 0.00 177.39 176.67 1ibm h TYR 48 N 2.21 0.19 -0.90 -1.77 3.20 -1.77 -3.09 116.97 115.04 1ibm h TYR 48 Ca 0.00 -0.14 0.25 0.00 3.14 0.00 0.00 58.73 61.98 1ibm h TYR 48 Cb 0.00 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1ibm h TYR 48 CO 0.11 1.10 0.63 0.66 -1.64 0.00 0.00 178.16 179.02 1ibm h SER 49 N -0.77 0.12 1.53 -2.11 4.64 -1.95 2.31 113.55 117.32 1ibm h SER 49 Ca -0.05 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1ibm h SER 49 Cb 1.21 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ibm h SER 49 CO 0.05 0.04 -0.01 0.00 -0.87 0.00 0.00 176.83 176.04 1ibm h ALA 50 N 1.57 1.00 -5.21 5.18 0.00 -1.85 -3.47 119.26 116.49 1ibm h ALA 50 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1ibm h ALA 50 Cb 1.58 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 1ibm h ALA 50 CO -0.06 0.01 -1.16 0.41 0.00 0.00 0.00 179.25 178.45 1ibm n GLY 51 N 0.60 -4.25 3.59 0.00 0.00 0.78 -2.10 105.19 103.81 1ibm n GLY 51 Ca 0.02 0.86 -0.34 0.00 0.00 0.00 0.00 46.02 46.55 1ibm n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ibm s LEU 52 N -1.25 3.66 0.00 0.99 2.34 -1.25 -1.86 118.68 121.31 1ibm s LEU 52 Ca -0.09 0.01 0.00 0.00 0.06 0.00 0.00 54.13 54.11 1ibm s LEU 52 Cb 0.01 -1.92 0.00 0.00 -0.56 0.00 0.00 46.19 43.72 1ibm s LEU 52 CO 0.72 0.16 0.03 0.00 -1.06 0.00 0.00 176.35 176.20 1ibm n ALA 53 N 3.64 0.00 -1.96 1.48 0.00 -1.03 -4.89 120.51 117.76 1ibm n ALA 53 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.04 1ibm n ALA 53 Cb 0.52 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.03 1ibm n ALA 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ibm s ARG 54 N -0.06 2.26 -0.44 0.00 6.06 -1.26 -4.97 118.95 120.54 1ibm s ARG 54 Ca 0.00 -0.59 0.04 0.00 -2.50 0.00 0.00 55.73 52.69 1ibm s ARG 54 Cb 0.00 -2.32 0.27 0.00 0.06 0.00 0.00 34.95 32.96 1ibm s ARG 54 CO 0.00 -1.05 1.05 0.28 -2.50 0.00 0.00 175.30 173.07 1ibm n VAL 55 N -2.67 0.00 -0.60 7.11 0.31 -1.26 -2.07 118.33 119.15 1ibm n VAL 55 Ca 0.09 -1.29 -0.06 0.00 -0.01 0.00 0.00 64.34 63.06 1ibm n VAL 55 Cb 0.60 1.40 0.05 0.00 -0.91 0.00 0.00 33.84 34.98 1ibm n VAL 55 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ibm n ASP 56 N 1.20 -1.28 -3.59 4.52 5.68 -1.26 -4.87 116.55 116.95 1ibm n ASP 56 Ca 0.06 -0.62 -0.11 0.00 -0.50 0.00 0.00 54.79 53.62 1ibm n ASP 56 Cb 0.67 -0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 1ibm n ASP 56 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1ibm s ILE 57 N -1.42 0.03 -0.05 2.12 1.01 -1.12 -3.77 121.20 118.00 1ibm s ILE 57 Ca 0.15 -0.43 -0.22 0.00 0.00 0.00 0.00 60.65 60.16 1ibm s ILE 57 Cb -0.01 -1.22 0.05 0.00 0.01 0.00 0.00 42.46 41.28 1ibm s ILE 57 CO 0.12 -0.15 0.48 -1.61 0.00 0.00 0.00 174.94 173.78 1ibm s GLU 58 N -3.80 0.82 0.15 2.79 2.02 -1.26 -2.55 118.70 116.87 1ibm s GLU 58 Ca 0.04 0.10 -0.15 0.00 0.02 0.00 0.00 54.97 54.98 1ibm s GLU 58 Cb -0.00 0.38 0.02 0.00 0.10 0.00 0.00 34.13 34.63 1ibm s GLU 58 CO -0.10 -0.23 0.41 1.03 0.02 0.00 0.00 175.26 176.39 1ibm s ARG 59 N -1.08 1.15 -0.38 1.61 0.52 -1.26 -0.62 118.95 118.89 1ibm s ARG 59 Ca -0.11 -0.83 0.05 0.00 -0.52 0.00 0.00 55.73 54.32 1ibm s ARG 59 Cb -0.03 0.46 0.30 0.00 0.52 0.00 0.00 34.95 36.20 1ibm s ARG 59 CO 0.06 -0.46 1.25 0.00 0.02 0.00 0.00 175.30 176.17 1ibm n ALA 60 N -0.24 -1.50 -0.47 2.13 0.00 -1.24 -4.65 120.51 114.54 1ibm n ALA 60 Ca -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1ibm n ALA 60 Cb 0.63 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1ibm n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibm n ALA 61 N 0.14 -2.69 -2.95 0.00 0.00 -1.26 -4.63 120.51 109.11 1ibm n ALA 61 Ca -0.04 0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1ibm n ALA 61 Cb 0.74 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 1ibm n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ibm n ASP 62 N -0.29 0.13 -3.67 0.00 8.00 -1.26 -4.83 116.55 114.63 1ibm n ASP 62 Ca 0.00 -0.40 -0.09 0.00 0.71 0.00 0.00 54.79 55.01 1ibm n ASP 62 Cb 0.00 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.51 1ibm n ASP 62 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ibm s ASN 63 N -3.10 -0.70 -0.09 -2.24 0.01 -1.06 -4.36 114.94 103.39 1ibm s ASN 63 Ca 0.05 1.16 -0.00 0.00 -0.71 0.00 0.00 52.86 53.36 1ibm s ASN 63 Cb -0.03 1.04 0.02 0.00 0.41 0.00 0.00 41.25 42.69 1ibm s ASN 63 CO 0.31 -0.21 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.94 1ibm s VAL 64 N 1.49 0.83 0.00 1.60 1.01 -1.23 -3.61 120.40 120.49 1ibm s VAL 64 Ca -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1ibm s VAL 64 Cb -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1ibm s VAL 64 CO -0.16 0.32 0.33 0.00 0.00 0.00 0.00 175.10 175.59 1ibm n ALA 65 N 4.70 -0.02 -2.77 5.51 0.00 0.21 -0.56 120.51 127.59 1ibm n ALA 65 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 1ibm n ALA 65 Cb 0.50 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.00 1ibm n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ibm n VAL 66 N -0.58 -2.66 -0.01 0.00 0.31 -1.26 -2.50 118.33 111.64 1ibm n VAL 66 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1ibm n VAL 66 Cb 0.00 -3.53 0.00 0.00 -0.91 0.00 0.00 33.84 29.40 1ibm n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ibm n THR 67 N -2.77 0.84 -0.63 2.52 -1.04 -1.25 -3.36 114.28 108.59 1ibm n THR 67 Ca -0.11 -0.17 -0.25 0.00 -2.04 0.00 0.00 64.05 61.48 1ibm n THR 67 Cb 0.57 -1.09 -0.03 0.00 -1.82 0.00 0.00 70.33 67.96 1ibm n THR 67 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ibm n VAL 68 N 1.42 0.00 -4.13 12.58 0.31 -1.21 -4.41 118.33 122.90 1ibm n VAL 68 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1ibm n VAL 68 Cb 0.25 -0.03 -0.10 0.00 -0.91 0.00 0.00 33.84 33.05 1ibm n VAL 68 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1ibm s HIS 69 N 0.19 3.20 0.19 3.52 3.76 -0.88 -1.88 115.29 123.39 1ibm s HIS 69 Ca 0.38 -0.00 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 1ibm s HIS 69 Cb -0.54 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.08 1ibm s HIS 69 CO 0.25 0.14 0.06 0.08 -0.85 0.00 0.00 174.74 174.43 1ibm s VAL 70 N 0.25 0.38 -0.18 -0.90 1.01 0.03 -2.45 120.40 118.54 1ibm s VAL 70 Ca 0.02 -1.97 0.07 0.00 0.00 0.00 0.00 61.98 60.09 1ibm s VAL 70 Cb -0.13 -2.31 -0.22 0.00 0.00 0.00 0.00 36.38 33.73 1ibm s VAL 70 CO 0.01 -0.26 0.12 0.00 0.00 0.00 0.00 175.10 174.97 1ibm n ALA 71 N -0.27 1.35 -3.50 5.51 0.00 -0.78 0.30 120.51 123.13 1ibm n ALA 71 Ca -0.03 -1.01 -0.29 0.00 0.00 0.00 0.00 53.44 52.10 1ibm n ALA 71 Cb 0.65 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 1ibm n ALA 71 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ibm n LYS 72 N -3.12 2.57 -0.35 0.00 5.02 -0.89 -4.72 118.16 116.67 1ibm n LYS 72 Ca -0.35 -4.62 0.24 0.00 -2.02 0.00 0.00 58.31 51.56 1ibm n LYS 72 Cb 1.06 -2.30 0.49 0.00 -0.02 0.00 0.00 35.03 34.27 1ibm n LYS 72 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1ibm h PRO 73 N 4.63 0.37 -0.44 1.97 0.13 -1.85 -0.10 132.00 136.71 1ibm h PRO 73 Ca 0.19 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.38 1ibm h PRO 73 Cb 0.68 -0.08 -0.10 0.00 0.13 0.00 0.00 31.00 31.63 1ibm h PRO 73 CO 0.86 0.25 -0.30 0.78 -0.23 0.00 0.00 178.00 179.35 1ibm h GLY 74 N 0.38 -0.15 -0.36 1.56 0.00 -1.98 0.05 103.07 102.58 1ibm h GLY 74 Ca 0.66 0.39 0.23 0.00 0.00 0.00 0.00 47.33 48.61 1ibm h GLY 74 CO -0.41 -0.21 0.28 -2.08 0.00 0.00 0.00 176.54 174.12 1ibm h VAL 75 N -0.21 0.37 0.31 4.60 2.07 -1.36 -0.40 116.25 121.62 1ibm h VAL 75 Ca 0.19 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1ibm h VAL 75 Cb 0.53 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1ibm h VAL 75 CO -0.56 0.05 -0.20 0.58 0.02 0.00 0.00 177.57 177.45 1ibm h VAL 76 N 0.26 0.00 -0.86 2.57 2.07 -1.07 -3.16 116.25 116.05 1ibm h VAL 76 Ca 0.55 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.15 1ibm h VAL 76 Cb 1.08 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.75 1ibm h VAL 76 CO -0.61 0.00 -0.49 -0.38 0.02 0.00 0.00 177.57 176.11 1ibm n ILE 77 N -3.54 -0.57 0.00 4.57 2.08 -0.35 -3.31 119.36 118.24 1ibm n ILE 77 Ca -0.06 2.08 0.00 0.00 0.56 0.00 0.00 62.75 65.33 1ibm n ILE 77 Cb 0.20 -2.59 0.00 0.00 -0.75 0.00 0.00 39.64 36.51 1ibm n ILE 77 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ibm n GLY 78 N -1.24 2.45 0.00 7.39 0.00 -0.31 0.11 105.19 113.60 1ibm n GLY 78 Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1ibm n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ibm n ARG 79 N 0.00 0.00 0.00 1.61 1.85 -1.26 -4.89 116.66 113.97 1ibm n ARG 79 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1ibm n ARG 79 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1ibm n ARG 79 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ibm n GLY 80 N 0.00 2.84 0.00 2.89 0.00 -1.26 -3.14 105.19 106.52 1ibm n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ibm n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibm n GLY 81 N -2.00 1.55 0.04 -0.02 0.00 -1.26 -5.03 105.19 98.46 1ibm n GLY 81 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1ibm n GLY 81 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ibm n GLU 82 N 0.00 0.09 -0.00 1.61 4.07 -1.19 -3.83 120.64 121.39 1ibm n GLU 82 Ca 0.00 0.09 -0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1ibm n GLU 82 Cb 0.00 -1.61 -0.00 0.00 -0.06 0.00 0.00 31.44 29.77 1ibm n GLU 82 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1ibm n ARG 83 N -1.76 0.01 0.04 5.31 0.63 0.17 -4.30 116.66 116.76 1ibm n ARG 83 Ca 0.06 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.01 1ibm n ARG 83 Cb 0.36 -0.74 0.10 0.00 0.45 0.00 0.00 32.46 32.63 1ibm n ARG 83 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1ibm n ILE 84 N -2.78 1.16 -0.08 5.15 3.06 0.31 0.21 119.36 126.38 1ibm n ILE 84 Ca -0.01 0.56 -0.11 0.00 -2.50 0.00 0.00 62.75 60.70 1ibm n ILE 84 Cb 0.51 -1.56 -0.15 0.00 0.54 0.00 0.00 39.64 38.97 1ibm n ILE 84 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1ibm n ARG 85 N -1.52 0.68 -0.02 9.51 3.00 -1.25 -3.60 116.66 123.46 1ibm n ARG 85 Ca -0.00 0.09 -0.13 0.00 -0.00 0.00 0.00 57.85 57.80 1ibm n ARG 85 Cb 0.20 -1.59 -0.10 0.00 0.00 0.00 0.00 32.46 30.97 1ibm n ARG 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ibm h VAL 86 N 0.00 1.40 -0.71 5.15 2.07 0.23 0.36 116.25 124.76 1ibm h VAL 86 Ca -0.49 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 65.81 1ibm h VAL 86 Cb 2.16 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 34.07 1ibm h VAL 86 CO 0.03 0.33 0.47 -0.07 0.02 0.00 0.00 177.57 178.34 1ibm h LEU 87 N -0.43 0.82 -0.67 2.57 3.38 -1.37 0.20 115.31 119.82 1ibm h LEU 87 Ca 0.00 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1ibm h LEU 87 Cb 0.55 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1ibm h LEU 87 CO 0.01 0.60 0.37 -0.09 0.09 0.00 0.00 178.44 179.41 1ibm h ARG 88 N 0.96 0.65 -0.01 1.13 2.43 -1.60 0.34 114.38 118.29 1ibm h ARG 88 Ca 0.26 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1ibm h ARG 88 Cb -0.10 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1ibm h ARG 88 CO -0.06 0.43 0.00 -1.91 -1.51 0.00 0.00 179.97 176.93 1ibm n GLU 89 N -4.80 1.11 -0.11 0.20 2.13 0.11 -3.67 120.64 115.62 1ibm n GLU 89 Ca 0.09 -0.17 -0.22 0.00 0.66 0.00 0.00 57.16 57.52 1ibm n GLU 89 Cb 0.19 -1.46 -0.07 0.00 0.27 0.00 0.00 31.44 30.36 1ibm n GLU 89 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1ibm n GLU 90 N -0.76 0.47 0.00 5.31 0.00 0.81 -4.31 120.64 122.15 1ibm n GLU 90 Ca 0.21 0.21 0.03 0.00 0.00 0.00 0.00 57.16 57.61 1ibm n GLU 90 Cb 0.14 -1.30 0.16 0.00 0.00 0.00 0.00 31.44 30.44 1ibm n GLU 90 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1ibm n LEU 91 N -4.06 0.00 -0.04 4.31 -0.00 0.82 0.49 117.00 118.52 1ibm n LEU 91 Ca -0.39 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 55.73 1ibm n LEU 91 Cb 0.75 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.29 1ibm n LEU 91 CO 0.05 0.00 0.28 0.00 -0.00 0.00 0.00 177.39 177.71 1ibm n ALA 92 N -0.80 3.97 0.05 1.47 0.00 -1.24 -2.22 120.51 121.73 1ibm n ALA 92 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 53.44 53.00 1ibm n ALA 92 Cb 0.02 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.42 1ibm n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ibm h LYS 93 N 0.19 0.00 0.00 0.00 1.79 -0.18 -2.82 116.57 115.55 1ibm h LYS 93 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ibm h LYS 93 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1ibm h LYS 93 CO 0.00 0.45 0.00 1.28 -1.08 0.00 0.00 179.45 180.10 1ibm n LEU 94 N -3.05 1.82 -0.21 2.94 4.77 -1.22 -4.51 117.00 117.54 1ibm n LEU 94 Ca -0.07 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.02 1ibm n LEU 94 Cb 0.86 -0.14 0.10 0.00 -2.33 0.00 0.00 43.42 41.92 1ibm n LEU 94 CO 0.43 -0.14 1.03 0.71 -1.33 0.00 0.00 177.39 178.09 1ibm h THR 95 N 0.00 0.86 -6.89 -5.08 1.35 -1.67 -3.45 112.91 98.03 1ibm h THR 95 Ca 0.00 -0.18 -0.58 0.00 -0.55 0.00 0.00 66.41 65.11 1ibm h THR 95 Cb 0.00 0.29 -0.28 0.00 -1.73 0.00 0.00 68.15 66.44 1ibm h THR 95 CO 0.00 0.10 -0.85 0.61 -0.25 0.00 0.00 175.52 175.12 1ibm n GLY 96 N -1.29 -0.43 2.64 5.82 0.00 -1.06 -4.78 105.19 106.09 1ibm n GLY 96 Ca 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 1ibm n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ibm n LYS 97 N -4.24 2.05 -3.73 1.61 4.81 -1.26 -4.98 118.16 112.41 1ibm n LYS 97 Ca 0.09 -3.63 -0.32 0.00 -0.87 0.00 0.00 58.31 53.58 1ibm n LYS 97 Cb 0.47 -1.69 0.04 0.00 0.02 0.00 0.00 35.03 33.87 1ibm n LYS 97 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1ibm n ASN 98 N -0.50 -4.81 -4.74 3.14 2.85 -1.26 -2.57 115.26 107.37 1ibm n ASN 98 Ca 0.16 -1.04 -0.40 0.00 -0.11 0.00 0.00 54.58 53.19 1ibm n ASN 98 Cb 0.82 -3.24 -0.05 0.00 1.24 0.00 0.00 39.78 38.55 1ibm n ASN 98 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ibm s VAL 99 N -3.51 4.46 0.00 3.44 0.11 -1.26 -3.54 120.40 120.10 1ibm s VAL 99 Ca 0.44 1.92 0.00 0.00 -2.93 0.00 0.00 61.98 61.41 1ibm s VAL 99 Cb -0.16 -4.25 0.00 0.00 -1.53 0.00 0.00 36.38 30.44 1ibm s VAL 99 CO 0.87 0.39 0.00 0.00 -3.33 0.00 0.00 175.10 173.03 1ibm n ALA 100 N 2.41 0.00 0.00 1.54 0.00 0.28 -4.92 120.51 119.81 1ibm n ALA 100 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ibm n ALA 100 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1ibm n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ibm n LEU 101 N 0.00 0.00 -4.91 0.00 0.00 -1.04 -4.85 117.00 106.20 1ibm n LEU 101 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.72 1ibm n LEU 101 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 43.42 43.53 1ibm n LEU 101 CO 0.00 0.00 0.79 0.20 0.00 0.00 0.00 177.39 178.38 1ibm s ASN 102 N 0.00 4.16 0.00 1.96 0.01 -1.21 -4.98 114.94 114.88 1ibm s ASN 102 Ca 0.00 0.58 -0.03 0.00 -0.71 0.00 0.00 52.86 52.70 1ibm s ASN 102 Cb 0.00 -0.96 -0.01 0.00 0.41 0.00 0.00 41.25 40.69 1ibm s ASN 102 CO 0.00 -2.09 0.05 -0.69 -1.51 0.00 0.00 177.10 172.85 1ibm s VAL 103 N -3.61 0.07 0.07 1.60 1.01 -1.26 -3.31 120.40 114.97 1ibm s VAL 103 Ca 0.65 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1ibm s VAL 103 Cb -0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1ibm s VAL 103 CO 0.49 -0.33 -0.09 -1.10 0.00 0.00 0.00 175.10 174.07 1ibm s GLN 104 N -1.04 0.73 -0.13 2.72 -1.52 -0.79 -5.01 119.66 114.62 1ibm s GLN 104 Ca -0.11 -1.01 -0.03 0.00 -1.95 0.00 0.00 55.36 52.25 1ibm s GLN 104 Cb -0.07 -0.43 -0.03 0.00 -0.22 0.00 0.00 33.01 32.26 1ibm s GLN 104 CO 0.00 0.07 -0.02 -2.00 -0.25 0.00 0.00 175.29 173.09 1ibm s GLU 105 N -2.38 3.43 -0.55 2.91 2.12 -1.26 -0.79 118.70 122.18 1ibm s GLU 105 Ca -0.00 -0.47 -0.28 0.00 0.36 0.00 0.00 54.97 54.58 1ibm s GLU 105 Cb -0.05 -2.88 0.02 0.00 0.26 0.00 0.00 34.13 31.47 1ibm s GLU 105 CO -0.00 0.41 1.38 0.08 -0.54 0.00 0.00 175.26 176.59 1ibm s VAL 106 N -0.09 3.83 -0.87 3.70 1.01 0.86 -4.85 120.40 123.99 1ibm s VAL 106 Ca 0.03 0.73 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 1ibm s VAL 106 Cb -0.13 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.79 1ibm s VAL 106 CO 0.02 -1.17 1.65 -1.10 0.00 0.00 0.00 175.10 174.50 1ibm s GLN 107 N 5.37 3.03 0.00 2.72 1.11 -1.26 -4.00 119.66 126.64 1ibm s GLN 107 Ca 0.51 -0.43 0.00 0.00 0.01 0.00 0.00 55.36 55.45 1ibm s GLN 107 Cb -0.10 -4.91 0.00 0.00 -1.01 0.00 0.00 33.01 26.98 1ibm s GLN 107 CO 0.26 -2.66 0.00 -1.71 0.01 0.00 0.00 175.29 171.18 1ibm n ASN 108 N 11.24 -1.55 0.25 5.90 5.15 -1.26 -4.95 115.26 130.03 1ibm n ASN 108 Ca 0.28 0.00 0.15 0.00 -0.60 0.00 0.00 54.58 54.41 1ibm n ASN 108 Cb 0.49 -0.78 0.83 0.00 -0.53 0.00 0.00 39.78 39.80 1ibm n ASN 108 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1ibm h PRO 109 N 0.00 0.00 0.00 1.20 0.13 -1.96 -2.61 132.00 128.76 1ibm h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ibm h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ibm h PRO 109 CO 0.00 0.00 0.04 -1.71 -0.23 0.00 0.00 178.00 176.10 1ibm n ASN 110 N -3.98 0.00 0.00 1.44 5.15 -1.26 -0.75 115.26 115.86 1ibm n ASN 110 Ca -0.01 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1ibm n ASN 110 Cb 0.19 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 1ibm n ASN 110 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ibm n LEU 111 N -1.05 1.06 -4.38 1.20 4.77 -0.98 -4.06 117.00 113.56 1ibm n LEU 111 Ca 0.00 -1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 54.50 1ibm n LEU 111 Cb 0.04 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 1ibm n LEU 111 CO 0.00 0.27 -0.11 -0.94 -1.33 0.00 0.00 177.39 175.27 1ibm s SER 112 N -0.30 5.84 0.27 -1.43 1.04 0.07 -4.95 113.70 114.24 1ibm s SER 112 Ca 0.00 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.30 1ibm s SER 112 Cb 0.00 -2.06 0.54 0.00 0.10 0.00 0.00 66.02 64.60 1ibm s SER 112 CO 0.00 -0.45 1.62 0.00 0.98 0.00 0.00 173.24 175.39 1ibm h ALA 113 N 8.50 0.92 -1.09 5.32 0.00 -1.84 0.17 119.26 131.25 1ibm h ALA 113 Ca -0.26 0.27 0.37 0.00 0.00 0.00 0.00 54.91 55.29 1ibm h ALA 113 Cb 1.10 0.48 -0.14 0.00 0.00 0.00 0.00 17.79 19.23 1ibm h ALA 113 CO 0.71 -0.46 0.65 -1.35 0.00 0.00 0.00 179.25 178.80 1ibm h PRO 114 N 0.08 0.20 0.00 0.00 0.11 -1.87 -0.35 132.00 130.18 1ibm h PRO 114 Ca 0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.56 1ibm h PRO 114 Cb 0.89 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1ibm h PRO 114 CO -0.75 0.13 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.02 1ibm h LEU 115 N 0.21 0.00 -1.93 2.35 3.38 -1.27 -2.99 115.31 115.07 1ibm h LEU 115 Ca 0.77 -0.60 0.36 0.00 0.09 0.00 0.00 57.88 58.50 1ibm h LEU 115 Cb 2.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.70 1ibm h LEU 115 CO -0.56 0.85 0.89 0.58 0.09 0.00 0.00 178.44 180.29 1ibm h VAL 116 N -1.00 0.37 0.44 1.22 2.07 -0.92 0.37 116.25 118.80 1ibm h VAL 116 Ca -0.02 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1ibm h VAL 116 Cb 0.66 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1ibm h VAL 116 CO -0.01 0.01 -0.21 0.00 0.02 0.00 0.00 177.57 177.37 1ibm h ALA 117 N 1.39 -0.71 -0.96 1.67 0.00 -1.19 -2.74 119.26 116.72 1ibm h ALA 117 Ca 0.61 -0.13 0.24 0.00 0.00 0.00 0.00 54.91 55.63 1ibm h ALA 117 Cb 2.36 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 20.25 1ibm h ALA 117 CO -0.05 -0.66 0.51 1.96 0.00 0.00 0.00 179.25 181.01 1ibm h GLN 118 N -0.96 0.47 0.68 0.00 4.20 -0.33 0.98 115.11 120.15 1ibm h GLN 118 Ca -0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1ibm h GLN 118 Cb 0.46 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1ibm h GLN 118 CO 0.10 0.31 -0.40 -0.09 -0.67 0.00 0.00 178.83 178.08 1ibm h ARG 119 N 0.49 -0.97 -0.59 1.46 9.65 -0.51 0.89 114.38 124.79 1ibm h ARG 119 Ca 0.62 0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 59.53 1ibm h ARG 119 Cb 1.20 0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 29.97 1ibm h ARG 119 CO -0.51 -0.65 0.24 0.28 2.80 0.00 0.00 179.97 182.13 1ibm h VAL 120 N -1.01 1.21 0.33 0.20 2.07 -0.94 0.84 116.25 118.95 1ibm h VAL 120 Ca -0.09 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1ibm h VAL 120 Cb 0.81 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1ibm h VAL 120 CO 0.10 0.26 -0.42 0.00 0.02 0.00 0.00 177.57 177.53 1ibm h ALA 121 N 1.42 -0.88 0.05 1.67 0.00 0.15 -1.11 119.26 120.56 1ibm h ALA 121 Ca 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ibm h ALA 121 Cb 0.16 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1ibm h ALA 121 CO -0.02 -1.04 -0.38 0.93 0.00 0.00 0.00 179.25 178.74 1ibm h GLU 122 N -0.80 -0.49 -0.74 0.00 5.08 0.16 -1.88 114.58 115.91 1ibm h GLU 122 Ca -0.02 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1ibm h GLU 122 Cb 0.74 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 30.00 1ibm h GLU 122 CO -0.12 -0.33 -0.58 1.96 -1.00 0.00 0.00 179.01 178.95 1ibm h GLN 123 N -0.51 -0.17 -0.87 2.33 4.20 -0.75 -0.25 115.11 119.09 1ibm h GLN 123 Ca 0.00 0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.92 1ibm h GLN 123 Cb 0.53 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.23 1ibm h GLN 123 CO -0.23 -0.11 0.38 0.82 -0.67 0.00 0.00 178.83 179.02 1ibm h ILE 124 N -0.18 0.53 0.00 2.54 2.04 -0.95 0.27 117.51 121.78 1ibm h ILE 124 Ca 0.12 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1ibm h ILE 124 Cb 0.49 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1ibm h ILE 124 CO -0.79 0.08 -0.29 -0.33 0.00 0.00 0.00 178.15 176.82 1ibm h GLU 125 N 0.44 0.00 -0.05 2.37 5.08 -0.25 -2.05 114.58 120.12 1ibm h GLU 125 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1ibm h GLU 125 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ibm h GLU 125 CO -0.49 0.29 0.00 0.54 -1.00 0.00 0.00 179.01 178.35 1ibm n ARG 126 N -3.90 1.22 -2.43 2.33 1.74 0.94 -4.89 116.66 111.66 1ibm n ARG 126 Ca -0.02 -0.32 -0.04 0.00 -0.77 0.00 0.00 57.85 56.70 1ibm n ARG 126 Cb 0.37 -1.32 0.02 0.00 -1.02 0.00 0.00 32.46 30.51 1ibm n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ibm n ARG 127 N -0.46 -1.66 -3.82 5.56 1.74 -0.77 -5.07 116.66 112.19 1ibm n ARG 127 Ca 0.14 0.20 -0.20 0.00 -0.77 0.00 0.00 57.85 57.22 1ibm n ARG 127 Cb 0.14 -3.31 -0.02 0.00 -1.02 0.00 0.00 32.46 28.25 1ibm n ARG 127 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1ibm s PHE 128 N -3.08 3.24 -0.50 -1.55 5.36 -1.01 -5.01 117.98 115.42 1ibm s PHE 128 Ca 0.03 -0.12 -0.27 0.00 -0.96 0.00 0.00 56.93 55.61 1ibm s PHE 128 Cb -0.01 -1.70 -0.05 0.00 -0.34 0.00 0.00 43.02 40.92 1ibm s PHE 128 CO 0.17 0.29 2.14 0.00 -1.46 0.00 0.00 175.22 176.36 1ibm s ALA 129 N -2.09 2.01 0.03 11.12 0.00 -1.26 -4.66 121.76 126.90 1ibm s ALA 129 Ca 0.38 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.03 1ibm s ALA 129 Cb -0.09 -4.28 -0.08 0.00 0.00 0.00 0.00 23.12 18.67 1ibm s ALA 129 CO 0.29 -3.99 1.24 0.28 0.00 0.00 0.00 175.76 173.58 1ibm h VAL 130 N 7.28 0.00 -1.17 0.00 2.07 -1.97 1.76 116.25 124.23 1ibm h VAL 130 Ca -0.27 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.59 1ibm h VAL 130 Cb 1.22 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1ibm h VAL 130 CO 1.16 0.00 0.98 -0.09 0.02 0.00 0.00 177.57 179.64 1ibm h ARG 131 N -0.53 0.00 0.00 1.57 2.43 -2.00 0.55 114.38 116.41 1ibm h ARG 131 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1ibm h ARG 131 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1ibm h ARG 131 CO 0.06 0.00 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.41 1ibm h ARG 132 N 0.00 0.00 -0.23 0.20 2.43 -1.76 -2.72 114.38 112.31 1ibm h ARG 132 Ca 0.56 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.77 1ibm h ARG 132 Cb 2.52 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 32.03 1ibm h ARG 132 CO -0.01 0.00 -0.08 0.00 -1.51 0.00 0.00 179.97 178.38 1ibm n ALA 133 N -2.30 0.00 0.24 2.80 0.00 0.59 0.82 120.51 122.66 1ibm n ALA 133 Ca -0.00 0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.58 1ibm n ALA 133 Cb 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1ibm n ALA 133 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ibm h ILE 134 N 0.00 0.00 -1.22 0.00 2.04 -1.25 0.11 117.51 117.18 1ibm h ILE 134 Ca 0.09 -0.27 0.40 0.00 1.00 0.00 0.00 64.86 66.09 1ibm h ILE 134 Cb 0.15 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.09 1ibm h ILE 134 CO -0.23 0.00 0.77 0.11 0.00 0.00 0.00 178.15 178.80 1ibm h LYS 135 N -0.90 0.13 0.01 2.37 1.57 0.75 -0.15 116.57 120.35 1ibm h LYS 135 Ca -0.06 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1ibm h LYS 135 Cb 0.48 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1ibm h LYS 135 CO 0.11 0.09 -0.00 1.96 -0.57 0.00 0.00 179.45 181.03 1ibm h GLN 136 N 0.14 -0.01 -0.98 3.15 4.20 -0.17 -2.74 115.11 118.70 1ibm h GLN 136 Ca 0.79 0.00 0.39 0.00 0.06 0.00 0.00 58.65 59.89 1ibm h GLN 136 Cb 2.32 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 29.96 1ibm h GLN 136 CO -0.46 -0.00 0.57 0.00 -0.67 0.00 0.00 178.83 178.26 1ibm n ALA 137 N -2.01 1.00 -0.04 3.87 0.00 0.35 0.13 120.51 123.81 1ibm n ALA 137 Ca -0.00 0.86 -0.13 0.00 0.00 0.00 0.00 53.44 54.17 1ibm n ALA 137 Cb 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 1ibm n ALA 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ibm h VAL 138 N 0.00 1.35 0.11 0.00 2.07 -1.14 -0.50 116.25 118.14 1ibm h VAL 138 Ca 0.76 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1ibm h VAL 138 Cb 2.14 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 33.82 1ibm h VAL 138 CO -0.60 0.36 -0.23 1.56 0.02 0.00 0.00 177.57 178.68 1ibm h GLN 139 N -0.13 -0.40 -0.36 1.57 1.08 0.14 0.46 115.11 117.46 1ibm h GLN 139 Ca 0.02 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.28 1ibm h GLN 139 Cb 0.62 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.09 1ibm h GLN 139 CO 0.03 -0.27 -0.22 0.00 -0.95 0.00 0.00 178.83 177.42 1ibm h ARG 140 N -0.42 -0.01 -0.65 1.46 3.08 -0.30 2.51 114.38 120.06 1ibm h ARG 140 Ca 0.03 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.25 1ibm h ARG 140 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1ibm h ARG 140 CO -0.13 -0.01 0.46 0.28 -1.07 0.00 0.00 179.97 179.49 1ibm h VAL 141 N -0.01 0.73 0.00 2.04 2.07 -0.63 0.44 116.25 120.89 1ibm h VAL 141 Ca 0.06 -0.05 -0.15 0.00 0.82 0.00 0.00 66.70 67.38 1ibm h VAL 141 Cb 0.16 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1ibm h VAL 141 CO -0.34 0.03 -0.75 -0.03 0.02 0.00 0.00 177.57 176.49 1ibm h MET 142 N 0.14 0.00 0.35 1.57 4.05 0.57 -3.32 114.93 118.30 1ibm h MET 142 Ca 0.31 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.72 1ibm h MET 142 Cb 1.05 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 1ibm h MET 142 CO -0.04 0.70 -0.17 0.93 0.23 0.00 0.00 176.91 178.56 1ibm h GLU 143 N 0.00 -0.46 -3.67 0.39 5.08 0.84 -3.31 114.58 113.45 1ibm h GLU 143 Ca -0.02 0.03 -0.64 0.00 -1.00 0.00 0.00 59.36 57.73 1ibm h GLU 143 Cb 1.56 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1ibm h GLU 143 CO 0.09 -0.15 3.18 -1.13 -1.00 0.00 0.00 179.01 180.00 1ibm n SER 144 N -5.18 5.40 0.00 1.42 3.41 -0.59 -4.91 113.62 113.18 1ibm n SER 144 Ca -0.10 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1ibm n SER 144 Cb 0.27 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.75 1ibm n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ibm n GLY 145 N 3.95 1.42 0.87 5.00 0.00 -1.25 -4.86 105.19 110.32 1ibm n GLY 145 Ca 0.59 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1ibm n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibm n ALA 146 N 9.31 -2.01 0.25 4.61 0.00 -1.26 -4.47 120.51 126.95 1ibm n ALA 146 Ca 0.00 0.49 0.03 0.00 0.00 0.00 0.00 53.44 53.96 1ibm n ALA 146 Cb 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.49 1ibm n ALA 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ibm n LYS 147 N -3.07 1.77 0.00 0.00 4.81 -0.85 -5.00 118.16 115.83 1ibm n LYS 147 Ca -0.04 -0.55 0.00 0.00 -0.87 0.00 0.00 58.31 56.85 1ibm n LYS 147 Cb 0.37 -0.98 0.00 0.00 0.02 0.00 0.00 35.03 34.44 1ibm n LYS 147 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibm n GLY 148 N 0.62 1.41 3.40 3.14 0.00 -1.18 -2.50 105.19 110.08 1ibm n GLY 148 Ca 0.03 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1ibm n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibm s ALA 149 N -1.85 -1.39 -0.25 4.61 0.00 -0.25 0.12 121.76 122.75 1ibm s ALA 149 Ca 0.00 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.31 1ibm s ALA 149 Cb 0.00 0.55 0.07 0.00 0.00 0.00 0.00 23.12 23.74 1ibm s ALA 149 CO 0.00 -0.60 0.63 0.21 0.00 0.00 0.00 175.76 176.00 1ibm s LYS 150 N -2.95 0.69 0.19 0.00 2.20 0.17 -1.57 119.74 118.48 1ibm s LYS 150 Ca -0.03 1.01 0.11 0.00 -0.36 0.00 0.00 55.97 56.71 1ibm s LYS 150 Cb -0.00 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 1ibm s LYS 150 CO -0.06 -0.12 -0.22 0.08 -0.36 0.00 0.00 175.35 174.67 1ibm s VAL 151 N 1.00 2.45 -0.14 4.02 1.01 -0.62 0.11 120.40 128.22 1ibm s VAL 151 Ca -0.05 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 59.88 1ibm s VAL 151 Cb -0.05 -2.18 0.07 0.00 0.00 0.00 0.00 36.38 34.21 1ibm s VAL 151 CO -0.09 -0.13 0.19 -0.63 0.00 0.00 0.00 175.10 174.45 1ibm s ILE 152 N -1.70 -0.30 -0.43 2.22 1.01 0.37 -4.04 121.20 118.32 1ibm s ILE 152 Ca 0.22 0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.78 1ibm s ILE 152 Cb -0.08 -0.48 0.02 0.00 0.01 0.00 0.00 42.46 41.94 1ibm s ILE 152 CO 0.11 -0.01 0.78 -0.69 0.00 0.00 0.00 174.94 175.12 1ibm s VAL 153 N 2.32 4.67 0.00 2.92 1.01 -0.18 -0.23 120.40 130.90 1ibm s VAL 153 Ca 0.04 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1ibm s VAL 153 Cb -0.14 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1ibm s VAL 153 CO -0.09 -0.65 0.02 -1.54 0.00 0.00 0.00 175.10 172.85 1ibm n SER 154 N 6.63 0.00 0.00 3.32 3.41 0.22 -2.72 113.62 124.48 1ibm n SER 154 Ca 0.02 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1ibm n SER 154 Cb 0.48 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1ibm n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ibm n GLY 155 N -0.59 3.98 0.00 5.00 0.00 -1.25 -4.21 105.19 108.12 1ibm n GLY 155 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ibm n GLY 155 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ibm n ARG 156 N -1.36 0.00 -0.88 1.61 0.00 -1.26 -4.57 116.66 110.19 1ibm n ARG 156 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.51 1ibm n ARG 156 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 1ibm n ARG 156 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1ibm n ILE 157 N -0.56 0.20 -1.06 5.15 5.41 -1.26 -1.16 119.36 126.09 1ibm n ILE 157 Ca 0.00 -0.05 -0.06 0.00 1.00 0.00 0.00 62.75 63.64 1ibm n ILE 157 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 1ibm n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ibm n GLY 158 N 0.94 0.61 2.15 7.39 0.00 -1.26 -1.56 105.19 113.46 1ibm n GLY 158 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ibm n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibm n GLY 159 N 0.36 0.77 3.48 -0.02 0.00 -0.30 -4.94 105.19 104.54 1ibm n GLY 159 Ca -0.06 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.39 1ibm n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibm n ALA 160 N 0.51 0.27 -0.16 4.61 0.00 -0.60 -4.67 120.51 120.47 1ibm n ALA 160 Ca 0.00 0.18 0.24 0.00 0.00 0.00 0.00 53.44 53.87 1ibm n ALA 160 Cb 0.00 -2.26 0.38 0.00 0.00 0.00 0.00 19.45 17.56 1ibm n ALA 160 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ibm n GLU 161 N 6.88 0.01 -4.04 0.00 2.13 -1.26 -3.92 120.64 120.46 1ibm n GLU 161 Ca 0.41 0.96 -0.34 0.00 0.66 0.00 0.00 57.16 58.85 1ibm n GLU 161 Cb 0.09 -2.41 -0.15 0.00 0.27 0.00 0.00 31.44 29.25 1ibm n GLU 161 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1ibm s GLN 162 N -4.27 3.27 0.84 5.31 -0.44 -1.26 -5.11 119.66 118.00 1ibm s GLN 162 Ca -0.02 -0.69 -0.15 0.00 -2.50 0.00 0.00 55.36 52.00 1ibm s GLN 162 Cb 0.12 -2.86 -0.06 0.00 -1.64 0.00 0.00 33.01 28.58 1ibm s GLN 162 CO 0.41 -0.17 0.09 0.00 0.50 0.00 0.00 175.29 176.12 1ibm n ALA 163 N 4.65 -3.01 -3.00 1.58 0.00 -1.25 -4.71 120.51 114.77 1ibm n ALA 163 Ca -0.19 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1ibm n ALA 163 Cb 0.51 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1ibm n ALA 163 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ibm n ARG 164 N 0.01 0.00 -3.45 0.00 0.63 -1.26 -4.71 116.66 107.88 1ibm n ARG 164 Ca 0.06 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.00 1ibm n ARG 164 Cb 0.52 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.38 1ibm n ARG 164 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1ibm s THR 165 N -0.23 -0.27 -0.12 5.15 2.01 -1.26 -3.75 115.64 117.17 1ibm s THR 165 Ca 0.00 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1ibm s THR 165 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1ibm s THR 165 CO 0.00 0.00 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.13 1ibm s GLU 166 N 2.00 3.30 0.00 4.92 2.56 -1.10 -4.98 118.70 125.39 1ibm s GLU 166 Ca -0.04 -0.62 0.00 0.00 0.00 0.00 0.00 54.97 54.31 1ibm s GLU 166 Cb -0.04 -2.68 0.00 0.00 2.00 0.00 0.00 34.13 33.40 1ibm s GLU 166 CO -0.16 0.32 0.00 0.91 -0.56 0.00 0.00 175.26 175.77 1ibm n TRP 167 N 3.23 0.00 -0.30 5.30 7.02 -1.26 -1.01 117.44 130.41 1ibm n TRP 167 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 1ibm n TRP 167 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 1ibm n TRP 167 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ibm n ALA 168 N -3.00 -1.40 -3.64 6.99 0.00 -1.26 -4.23 120.51 113.97 1ibm n ALA 168 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1ibm n ALA 168 Cb 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 1ibm n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibm s ALA 169 N 0.00 -2.07 0.06 0.00 0.00 -1.26 -1.59 121.76 116.89 1ibm s ALA 169 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1ibm s ALA 169 Cb 0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1ibm s ALA 169 CO 0.00 -0.25 -0.04 -0.65 0.00 0.00 0.00 175.76 174.82 1ibm s GLN 170 N 0.45 0.61 0.59 0.00 -0.21 -0.61 -5.01 119.66 115.48 1ibm s GLN 170 Ca 0.01 -1.10 0.00 0.00 0.02 0.00 0.00 55.36 54.29 1ibm s GLN 170 Cb -0.05 0.04 0.00 0.00 1.00 0.00 0.00 33.01 34.00 1ibm s GLN 170 CO -0.09 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.43 1ibm n GLY 171 N 0.47 -4.38 3.15 3.09 0.00 -1.26 -1.09 105.19 105.16 1ibm n GLY 171 Ca -0.16 -0.74 -0.48 0.00 0.00 0.00 0.00 46.02 44.64 1ibm n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibm n ARG 172 N -1.80 0.00 -2.73 1.61 1.74 -1.04 -3.94 116.66 110.49 1ibm n ARG 172 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1ibm n ARG 172 Cb 0.26 -1.12 0.05 0.00 -1.02 0.00 0.00 32.46 30.63 1ibm n ARG 172 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ibm n VAL 173 N 0.63 0.52 -1.55 1.55 0.31 -1.26 -3.63 118.33 114.89 1ibm n VAL 173 Ca 0.17 -2.67 -0.20 0.00 -0.01 0.00 0.00 64.34 61.63 1ibm n VAL 173 Cb 0.16 0.72 -0.07 0.00 -0.91 0.00 0.00 33.84 33.73 1ibm n VAL 173 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ibm n PRO 174 N -0.16 0.65 0.00 5.55 -0.04 -1.26 -4.80 135.00 134.94 1ibm n PRO 174 Ca 0.07 -0.57 0.13 0.00 -0.04 0.00 0.00 63.50 63.09 1ibm n PRO 174 Cb 0.80 -3.47 0.60 0.00 -0.04 0.00 0.00 33.50 31.39 1ibm n PRO 174 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ibm n LEU 175 N 17.26 0.00 -0.02 1.53 4.77 -1.26 -2.88 117.00 136.41 1ibm n LEU 175 Ca 0.46 0.46 -0.09 0.00 -0.03 0.00 0.00 56.01 56.81 1ibm n LEU 175 Cb 0.44 -0.46 -0.14 0.00 -2.33 0.00 0.00 43.42 40.93 1ibm n LEU 175 CO 0.62 -0.04 -0.54 1.41 -1.33 0.00 0.00 177.39 177.52 1ibm n HIS 176 N -1.46 0.98 -2.17 -1.77 8.25 -1.26 -4.75 115.22 113.03 1ibm n HIS 176 Ca 0.08 0.35 -0.43 0.00 -0.26 0.00 0.00 57.72 57.46 1ibm n HIS 176 Cb 0.30 -1.18 -0.02 0.00 1.12 0.00 0.00 29.99 30.20 1ibm n HIS 176 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1ibm s THR 177 N -2.60 3.67 -1.17 1.59 -1.32 -1.14 -4.87 115.64 109.80 1ibm s THR 177 Ca -0.05 0.66 -0.20 0.00 -1.21 0.00 0.00 61.69 60.90 1ibm s THR 177 Cb 0.08 -3.93 -0.04 0.00 -1.51 0.00 0.00 72.50 67.10 1ibm s THR 177 CO 0.83 -0.61 1.92 -0.11 -2.21 0.00 0.00 174.62 174.44 1ibm n LEU 178 N 9.72 4.44 0.00 9.08 7.94 -1.26 -1.70 117.00 145.22 1ibm n LEU 178 Ca 0.20 -3.49 0.00 0.00 -1.11 0.00 0.00 56.01 51.61 1ibm n LEU 178 Cb 0.48 -1.60 0.00 0.00 0.53 0.00 0.00 43.42 42.83 1ibm n LEU 178 CO 0.70 -0.47 0.00 -1.14 -1.11 0.00 0.00 177.39 175.36 1ibm n ARG 179 N 7.69 0.00 -0.35 1.96 0.00 -1.26 -5.02 116.66 119.68 1ibm n ARG 179 Ca 0.48 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 58.41 1ibm n ARG 179 Cb 0.44 0.00 0.25 0.00 0.00 0.00 0.00 32.46 33.15 1ibm n ARG 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ibm h ALA 180 N 0.00 1.51 -4.80 5.13 0.00 -1.58 -3.41 119.26 116.11 1ibm h ALA 180 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ibm h ALA 180 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ibm h ALA 180 CO 0.00 0.13 -0.14 -1.71 0.00 0.00 0.00 179.25 177.52 1ibm n ASN 181 N -4.68 -6.52 -4.14 0.00 5.15 -1.26 -4.20 115.26 99.60 1ibm n ASN 181 Ca 0.19 0.12 -0.34 0.00 -0.60 0.00 0.00 54.58 53.95 1ibm n ASN 181 Cb 0.41 -4.35 -0.14 0.00 -0.53 0.00 0.00 39.78 35.17 1ibm n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ibm s ILE 182 N -2.72 2.87 0.15 -1.44 1.01 -1.26 -2.69 121.20 117.12 1ibm s ILE 182 Ca 0.07 -1.57 -0.31 0.00 0.00 0.00 0.00 60.65 58.84 1ibm s ILE 182 Cb -0.02 -2.73 -0.10 0.00 0.01 0.00 0.00 42.46 39.62 1ibm s ILE 182 CO 0.58 -0.20 1.63 -0.62 0.00 0.00 0.00 174.94 176.33 1ibm s ASP 183 N 1.28 6.55 0.04 3.58 3.68 0.39 -4.74 116.67 127.46 1ibm s ASP 183 Ca -0.03 2.64 0.08 0.00 2.13 0.00 0.00 52.55 57.36 1ibm s ASP 183 Cb -0.20 -2.59 -0.03 0.00 -1.45 0.00 0.00 42.92 38.65 1ibm s ASP 183 CO -0.02 -0.87 -0.20 -0.47 0.13 0.00 0.00 175.17 173.73 1ibm s TYR 184 N 1.56 2.50 -0.20 -5.34 5.04 -1.26 -0.71 117.35 118.93 1ibm s TYR 184 Ca 0.72 -0.30 -0.18 0.00 -2.44 0.00 0.00 57.07 54.88 1ibm s TYR 184 Cb -0.44 -1.44 0.05 0.00 0.35 0.00 0.00 41.96 40.48 1ibm s TYR 184 CO 0.32 0.22 0.53 0.20 -1.34 0.00 0.00 175.55 175.48 1ibm s GLY 185 N -1.40 -0.40 -0.02 8.97 0.00 -0.65 -4.43 107.32 109.40 1ibm s GLY 185 Ca 0.14 1.52 0.08 0.00 0.00 0.00 0.00 44.72 46.45 1ibm s GLY 185 CO 0.04 1.33 -0.26 -0.12 0.00 0.00 0.00 173.10 174.10 1ibm s PHE 186 N 0.36 2.34 -0.04 1.90 5.36 -1.26 -0.83 117.98 125.81 1ibm s PHE 186 Ca -0.01 -0.44 0.02 0.00 -0.96 0.00 0.00 56.93 55.54 1ibm s PHE 186 Cb -0.04 -1.50 0.01 0.00 -0.34 0.00 0.00 43.02 41.15 1ibm s PHE 186 CO -0.00 -0.04 -0.08 0.00 -1.46 0.00 0.00 175.22 173.64 1ibm s ALA 187 N -0.61 0.84 0.83 11.12 0.00 0.23 -4.89 121.76 129.29 1ibm s ALA 187 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1ibm s ALA 187 Cb -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1ibm s ALA 187 CO -0.01 0.07 0.00 -0.11 0.00 0.00 0.00 175.76 175.72 1ibm n LEU 188 N 3.68 0.00 0.00 0.00 -0.00 -1.26 0.22 117.00 119.64 1ibm n LEU 188 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 1ibm n LEU 188 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1ibm n LEU 188 CO 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.63 1ibm n ALA 189 N -3.00 0.00 -1.54 1.96 0.00 -1.23 -4.18 120.51 112.51 1ibm n ALA 189 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.90 1ibm n ALA 189 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ibm n ALA 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibm n ARG 190 N 0.00 0.61 -4.57 0.00 1.74 -1.26 -3.70 116.66 109.48 1ibm n ARG 190 Ca 0.00 0.22 -0.27 0.00 -0.77 0.00 0.00 57.85 57.03 1ibm n ARG 190 Cb 0.00 -1.75 -0.09 0.00 -1.02 0.00 0.00 32.46 29.60 1ibm n ARG 190 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ibm s THR 191 N 0.10 1.23 -0.35 0.55 2.01 -1.16 -4.86 115.64 113.15 1ibm s THR 191 Ca 0.84 -2.00 0.23 0.00 0.31 0.00 0.00 61.69 61.08 1ibm s THR 191 Cb -1.07 -2.60 0.24 0.00 0.01 0.00 0.00 72.50 69.09 1ibm s THR 191 CO 0.52 0.00 1.70 1.07 -0.69 0.00 0.00 174.62 177.22 1ibm n THR 192 N -0.93 0.90 0.00 -0.82 5.66 -1.26 -2.97 114.28 114.85 1ibm n THR 192 Ca -0.08 0.43 0.00 0.00 -3.05 0.00 0.00 64.05 61.35 1ibm n THR 192 Cb 0.66 -1.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 1ibm n THR 192 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ibm n TYR 193 N -2.27 0.00 0.00 1.09 0.18 -1.26 -5.13 117.16 109.77 1ibm n TYR 193 Ca 0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.79 1ibm n TYR 193 Cb 0.16 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.12 1ibm n TYR 193 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ibm n GLY 194 N 1.65 3.64 3.76 -7.48 0.00 -1.16 -5.10 105.19 100.49 1ibm n GLY 194 Ca 0.00 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1ibm n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibm s VAL 195 N -2.00 2.18 -0.22 1.61 1.01 -1.26 -3.01 120.40 118.71 1ibm s VAL 195 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1ibm s VAL 195 Cb 0.00 -3.10 0.09 0.00 0.00 0.00 0.00 36.38 33.37 1ibm s VAL 195 CO 0.00 0.03 0.20 -0.76 0.00 0.00 0.00 175.10 174.57 1ibm s LEU 196 N -1.03 0.03 0.85 3.92 1.43 -1.24 -4.92 118.68 117.72 1ibm s LEU 196 Ca 0.59 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1ibm s LEU 196 Cb -0.46 0.20 0.10 0.00 0.03 0.00 0.00 46.19 46.07 1ibm s LEU 196 CO 0.52 -0.35 1.09 -0.83 0.23 0.00 0.00 176.35 177.01 1ibm s GLY 197 N 2.27 1.62 -0.09 -3.19 0.00 -1.26 -3.53 107.32 103.14 1ibm s GLY 197 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 44.72 44.65 1ibm s GLY 197 CO -0.17 0.35 0.03 0.14 0.00 0.00 0.00 173.10 173.45 1ibm s VAL 198 N -3.02 0.20 -0.17 1.40 1.01 0.60 0.70 120.40 121.11 1ibm s VAL 198 Ca 0.62 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 1ibm s VAL 198 Cb -0.16 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1ibm s VAL 198 CO 0.56 0.09 0.18 -0.54 0.00 0.00 0.00 175.10 175.39 1ibm s LYS 199 N 2.03 4.07 -0.05 2.72 1.02 0.67 -0.60 119.74 129.60 1ibm s LYS 199 Ca 0.04 -0.10 0.05 0.00 0.02 0.00 0.00 55.97 55.97 1ibm s LYS 199 Cb -0.13 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.80 1ibm s LYS 199 CO -0.06 0.38 -0.20 0.00 -0.92 0.00 0.00 175.35 174.56 1ibm s ALA 200 N 0.09 1.74 -0.10 5.17 0.00 -0.01 0.14 121.76 128.79 1ibm s ALA 200 Ca 0.12 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 1ibm s ALA 200 Cb -0.12 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.46 1ibm s ALA 200 CO 0.01 0.32 -0.08 0.71 0.00 0.00 0.00 175.76 176.72 1ibm s TYR 201 N -0.02 1.43 -0.16 0.00 1.51 0.30 -1.63 117.35 118.78 1ibm s TYR 201 Ca -0.04 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1ibm s TYR 201 Cb -0.12 -1.18 0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1ibm s TYR 201 CO 0.03 -0.47 -0.12 0.42 -1.11 0.00 0.00 175.55 174.30 1ibm s ILE 202 N 1.55 1.53 -0.05 2.71 1.01 0.11 0.45 121.20 128.51 1ibm s ILE 202 Ca 0.02 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 1ibm s ILE 202 Cb -0.13 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1ibm s ILE 202 CO -0.06 0.36 0.50 0.12 0.00 0.00 0.00 174.94 175.86 1ibm s PHE 203 N 1.49 3.62 -0.32 3.97 5.36 0.33 -0.46 117.98 131.97 1ibm s PHE 203 Ca 0.03 1.02 -0.01 0.00 -0.96 0.00 0.00 56.93 57.01 1ibm s PHE 203 Cb -0.14 -2.52 0.12 0.00 -0.34 0.00 0.00 43.02 40.15 1ibm s PHE 203 CO -0.10 0.34 0.21 -0.51 -1.46 0.00 0.00 175.22 173.70 1ibm s LEU 204 N -0.04 0.44 0.40 6.12 1.43 -1.09 -2.00 118.68 123.93 1ibm s LEU 204 Ca 0.27 -1.46 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1ibm s LEU 204 Cb -0.17 -0.09 0.00 0.00 0.03 0.00 0.00 46.19 45.96 1ibm s LEU 204 CO 0.13 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1ibm n GLY 205 N 4.82 -2.13 0.00 -3.19 0.00 -1.26 -4.79 105.19 98.64 1ibm n GLY 205 Ca 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1ibm n GLY 205 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ibm n GLU 206 N -3.85 0.00 -0.01 1.61 1.02 -1.26 -4.40 120.64 113.75 1ibm n GLU 206 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1ibm n GLU 206 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1ibm n GLU 206 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59