#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itf s ASP 2 N 0.00 2.65 0.00 0.00 1.01 -1.26 -4.99 116.67 114.08 1itf s ASP 2 Ca 0.00 -2.51 0.00 0.00 0.71 0.00 0.00 52.55 50.75 1itf s ASP 2 Cb 0.00 -0.50 0.00 0.00 1.01 0.00 0.00 42.92 43.43 1itf s ASP 2 CO 0.00 -0.26 0.00 0.18 0.21 0.00 0.00 175.17 175.30 1itf n LEU 3 N 3.61 0.00 -4.77 1.23 4.32 -1.26 -5.06 117.00 115.07 1itf n LEU 3 Ca 0.17 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.78 1itf n LEU 3 Cb 0.40 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.19 1itf n LEU 3 CO 0.14 -0.33 0.85 -2.16 -1.22 0.00 0.00 177.39 174.67 1itf s PRO 4 N -0.66 3.84 -1.37 3.23 0.04 -1.26 -4.92 135.00 133.91 1itf s PRO 4 Ca 0.00 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 62.80 1itf s PRO 4 Cb 0.00 -2.52 0.10 0.00 0.04 0.00 0.00 34.50 32.12 1itf s PRO 4 CO 0.00 -0.50 2.21 1.04 0.04 0.00 0.00 177.00 179.79 1itf n GLN 5 N -0.28 3.78 -3.01 4.56 6.02 -1.26 -4.57 117.38 122.62 1itf n GLN 5 Ca 0.06 -3.19 -0.16 0.00 -0.01 0.00 0.00 57.00 53.70 1itf n GLN 5 Cb 0.47 -2.89 -0.00 0.00 1.02 0.00 0.00 30.24 28.84 1itf n GLN 5 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1itf n THR 6 N 3.20 -0.28 -1.38 5.09 -2.24 -1.26 -5.14 114.28 112.27 1itf n THR 6 Ca 0.53 -3.16 -0.29 0.00 -2.27 0.00 0.00 64.05 58.86 1itf n THR 6 Cb 0.32 -0.13 0.14 0.00 -2.10 0.00 0.00 70.33 68.55 1itf n THR 6 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1itf s HIS 7 N -0.83 2.43 0.00 4.78 3.76 -1.26 -5.06 115.29 119.11 1itf s HIS 7 Ca 0.33 1.03 0.00 0.00 -0.15 0.00 0.00 55.06 56.27 1itf s HIS 7 Cb 0.25 -3.25 0.00 0.00 1.11 0.00 0.00 32.58 30.69 1itf s HIS 7 CO -0.12 -2.39 0.00 -1.13 -0.85 0.00 0.00 174.74 170.25 1itf n SER 8 N -3.83 0.00 -4.08 1.40 3.41 -1.26 -5.12 113.62 104.14 1itf n SER 8 Ca 0.06 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.34 1itf n SER 8 Cb 0.57 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.38 1itf n SER 8 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1itf s LEU 9 N 0.00 4.28 -0.04 1.04 2.96 -1.26 -4.94 118.68 120.72 1itf s LEU 9 Ca 0.00 -1.73 0.19 0.00 -0.22 0.00 0.00 54.13 52.36 1itf s LEU 9 Cb 0.00 -1.66 -0.22 0.00 0.50 0.00 0.00 46.19 44.81 1itf s LEU 9 CO 0.00 -0.33 0.51 0.61 -1.32 0.00 0.00 176.35 175.82 1itf n GLY 10 N 4.44 -1.09 0.32 7.98 0.00 -1.26 -3.93 105.19 111.64 1itf n GLY 10 Ca -0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1itf n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1itf h SER 11 N 0.00 0.86 0.03 1.61 4.64 -1.95 0.45 113.55 119.19 1itf h SER 11 Ca -0.24 -0.14 -0.17 0.00 -0.47 0.00 0.00 61.79 60.77 1itf h SER 11 Cb 1.63 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1itf h SER 11 CO 0.03 0.80 -0.60 -0.09 -0.87 0.00 0.00 176.83 176.10 1itf h ARG 12 N 0.90 0.57 -0.03 4.77 9.65 -1.99 -0.72 114.38 127.54 1itf h ARG 12 Ca 0.20 -0.39 -0.22 0.00 -1.10 0.00 0.00 59.98 58.48 1itf h ARG 12 Cb 0.24 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 1itf h ARG 12 CO -0.01 1.00 -0.90 0.00 2.80 0.00 0.00 179.97 182.86 1itf h ARG 13 N 0.43 0.49 -0.19 0.20 2.47 -1.57 -0.65 114.38 115.56 1itf h ARG 13 Ca -0.00 -0.48 -0.06 0.00 -1.26 0.00 0.00 59.98 58.17 1itf h ARG 13 Cb 1.16 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.60 1itf h ARG 13 CO 0.11 1.13 -0.14 1.15 0.56 0.00 0.00 179.97 182.78 1itf h THR 14 N 0.29 1.32 -0.35 2.04 2.02 -0.07 -1.84 112.91 116.33 1itf h THR 14 Ca -0.07 -1.25 -0.14 0.00 0.77 0.00 0.00 66.41 65.72 1itf h THR 14 Cb 1.52 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 1itf h THR 14 CO 0.16 0.38 -0.33 -0.07 0.37 0.00 0.00 175.52 176.03 1itf h LEU 15 N 0.09 0.82 -1.29 2.58 3.38 -1.17 -2.25 115.31 117.47 1itf h LEU 15 Ca 0.04 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1itf h LEU 15 Cb 0.65 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1itf h LEU 15 CO 0.04 1.08 -0.29 0.00 0.09 0.00 0.00 178.44 179.35 1itf h MET 16 N 0.65 0.11 -0.55 1.13 -0.00 -1.09 -1.79 114.93 113.38 1itf h MET 16 Ca 0.07 -0.04 -0.09 0.00 -0.00 0.00 0.00 59.70 59.64 1itf h MET 16 Cb 0.87 -0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.44 1itf h MET 16 CO 0.08 0.39 -0.01 -0.07 -0.00 0.00 0.00 176.91 177.30 1itf h LEU 17 N 0.10 0.97 -1.37 -0.10 3.38 -1.01 -1.85 115.31 115.43 1itf h LEU 17 Ca 0.01 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1itf h LEU 17 Cb 0.57 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1itf h LEU 17 CO 0.04 1.05 0.34 -0.07 0.09 0.00 0.00 178.44 179.89 1itf h LEU 18 N 0.87 0.68 -0.18 1.67 3.38 -0.77 0.11 115.31 121.07 1itf h LEU 18 Ca 0.15 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1itf h LEU 18 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1itf h LEU 18 CO 0.03 0.53 0.01 0.00 0.09 0.00 0.00 178.44 179.10 1itf h ALA 19 N 1.59 0.24 -0.22 1.53 0.00 -0.82 -1.99 119.26 119.59 1itf h ALA 19 Ca 0.21 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1itf h ALA 19 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1itf h ALA 19 CO -0.04 -0.07 -0.18 1.96 0.00 0.00 0.00 179.25 180.92 1itf h GLN 20 N 0.07 0.37 -0.43 0.00 4.20 -0.84 -2.40 115.11 116.09 1itf h GLN 20 Ca 0.05 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1itf h GLN 20 Cb 0.35 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1itf h GLN 20 CO 0.01 0.55 0.06 0.52 -0.67 0.00 0.00 178.83 179.29 1itf h MET 21 N 0.34 0.66 -6.04 1.46 2.86 -0.55 -3.42 114.93 110.24 1itf h MET 21 Ca 0.06 -0.14 -0.70 0.00 -2.06 0.00 0.00 59.70 56.86 1itf h MET 21 Cb 0.52 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1itf h MET 21 CO 0.03 0.64 1.25 -2.13 1.06 0.00 0.00 176.91 177.77 1itf n ARG 22 N -4.28 1.00 -0.08 1.72 0.63 -0.77 -4.69 116.66 110.20 1itf n ARG 22 Ca 0.03 0.31 -0.16 0.00 -0.92 0.00 0.00 57.85 57.11 1itf n ARG 22 Cb 0.24 -2.25 -0.14 0.00 0.45 0.00 0.00 32.46 30.76 1itf n ARG 22 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1itf n LYS 23 N 7.28 0.68 -4.09 -0.14 0.00 -1.26 -4.98 118.16 115.65 1itf n LYS 23 Ca 0.38 0.16 -0.25 0.00 -0.00 0.00 0.00 58.31 58.61 1itf n LYS 23 Cb 0.17 -1.60 -0.07 0.00 -0.00 0.00 0.00 35.03 33.53 1itf n LYS 23 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1itf s ILE 24 N -2.53 2.28 0.11 0.58 -4.36 -1.26 -5.13 121.20 110.89 1itf s ILE 24 Ca -0.22 -1.67 -0.05 0.00 -0.26 0.00 0.00 60.65 58.46 1itf s ILE 24 Cb 0.08 -2.95 -0.05 0.00 1.25 0.00 0.00 42.46 40.79 1itf s ILE 24 CO 0.73 0.00 0.35 -0.44 0.24 0.00 0.00 174.94 175.81 1itf s SER 25 N -3.94 6.49 0.40 4.36 0.01 -1.26 -4.98 113.70 114.78 1itf s SER 25 Ca 0.41 0.57 0.11 0.00 1.31 0.00 0.00 55.95 58.34 1itf s SER 25 Cb 0.03 -2.08 0.82 0.00 0.21 0.00 0.00 66.02 65.00 1itf s SER 25 CO 0.23 0.10 1.92 0.25 0.41 0.00 0.00 173.24 176.14 1itf h LEU 26 N 3.06 0.16 -0.61 2.44 5.85 -1.91 -1.44 115.31 122.86 1itf h LEU 26 Ca -0.47 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.09 1itf h LEU 26 Cb 1.17 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1itf h LEU 26 CO 0.72 0.34 -0.27 -0.26 -0.34 0.00 0.00 178.44 178.63 1itf h PHE 27 N 0.17 0.93 0.00 1.25 0.04 -2.00 -2.03 116.94 115.29 1itf h PHE 27 Ca 0.03 -0.23 -0.05 0.00 2.80 0.00 0.00 57.97 60.52 1itf h PHE 27 Cb 0.39 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1itf h PHE 27 CO 0.00 0.98 -0.25 0.77 -0.60 0.00 0.00 178.31 179.22 1itf h SER 28 N 0.69 0.00 -1.80 2.17 0.02 -1.73 -2.96 113.55 109.94 1itf h SER 28 Ca 0.08 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.34 1itf h SER 28 Cb 0.81 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.01 1itf h SER 28 CO 0.07 0.25 0.29 0.00 -1.14 0.00 0.00 176.83 176.29 1itf n LEU 30 N -0.51 0.33 0.16 0.00 4.77 -1.05 -3.11 117.00 117.60 1itf n LEU 30 Ca 0.47 -0.07 0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1itf n LEU 30 Cb 0.42 -0.04 0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1itf n LEU 30 CO 0.43 0.06 0.56 0.11 -1.33 0.00 0.00 177.39 177.22 1itf h LYS 31 N 0.51 0.00 -0.31 3.23 1.57 -1.88 -3.21 116.57 116.47 1itf h LYS 31 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1itf h LYS 31 Cb 0.16 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 1itf h LYS 31 CO 0.00 0.39 -0.03 -0.25 -0.57 0.00 0.00 179.45 178.98 1itf n ASP 32 N -3.22 2.97 -4.68 0.86 9.92 -1.18 -5.02 116.55 116.21 1itf n ASP 32 Ca 0.02 -3.48 -0.42 0.00 -0.53 0.00 0.00 54.79 50.38 1itf n ASP 32 Cb 0.67 -0.60 -0.03 0.00 -0.64 0.00 0.00 41.12 40.52 1itf n ASP 32 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1itf s ARG 33 N -3.09 4.14 -0.18 -1.24 6.06 -1.22 -4.85 118.95 118.57 1itf s ARG 33 Ca 0.43 2.60 -0.09 0.00 -2.50 0.00 0.00 55.73 56.17 1itf s ARG 33 Cb 0.38 -3.81 0.07 0.00 0.06 0.00 0.00 34.95 31.64 1itf s ARG 33 CO 0.03 -0.89 0.42 -1.58 -2.50 0.00 0.00 175.30 170.78 1itf s HIS 34 N 3.41 -0.68 -0.36 5.12 5.65 -1.26 -5.12 115.29 122.05 1itf s HIS 34 Ca 0.84 1.38 -0.20 0.00 0.25 0.00 0.00 55.06 57.33 1itf s HIS 34 Cb -0.45 0.28 0.00 0.00 -1.18 0.00 0.00 32.58 31.24 1itf s HIS 34 CO 0.38 -0.39 0.61 0.34 -0.65 0.00 0.00 174.74 175.02 1itf s ASP 35 N 1.83 6.39 0.09 9.88 -1.08 -1.26 -4.94 116.67 127.57 1itf s ASP 35 Ca -0.07 0.05 -0.16 0.00 -0.52 0.00 0.00 52.55 51.85 1itf s ASP 35 Cb -0.10 -2.31 -0.10 0.00 -1.46 0.00 0.00 42.92 38.96 1itf s ASP 35 CO -0.13 -0.58 1.41 -0.26 0.52 0.00 0.00 175.17 176.13 1itf h PHE 36 N 8.50 0.72 0.00 -5.34 0.04 -1.97 -3.48 116.94 115.41 1itf h PHE 36 Ca -0.27 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1itf h PHE 36 Cb 1.11 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.11 1itf h PHE 36 CO 0.74 0.90 0.00 0.41 -0.60 0.00 0.00 178.31 179.77 1itf n GLY 37 N 0.12 0.76 3.71 -1.45 0.00 -1.26 -5.01 105.19 102.05 1itf n GLY 37 Ca -0.04 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1itf n GLY 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1itf s PHE 38 N -1.45 2.91 -1.15 1.61 5.36 -1.26 -4.85 117.98 119.16 1itf s PHE 38 Ca 0.00 0.60 -0.17 0.00 -0.96 0.00 0.00 56.93 56.41 1itf s PHE 38 Cb 0.00 -3.89 -0.06 0.00 -0.34 0.00 0.00 43.02 38.74 1itf s PHE 38 CO 0.00 -3.34 2.14 -0.35 -1.46 0.00 0.00 175.22 172.21 1itf n PRO 39 N 4.45 2.30 0.19 10.12 -0.04 -1.26 -4.62 135.00 146.14 1itf n PRO 39 Ca 0.14 -2.19 0.14 0.00 -0.04 0.00 0.00 63.50 61.55 1itf n PRO 39 Cb 0.40 -3.05 0.55 0.00 -0.04 0.00 0.00 33.50 31.35 1itf n PRO 39 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1itf h GLN 40 N 6.73 0.00 -0.24 0.54 4.15 -1.95 -2.65 115.11 121.70 1itf h GLN 40 Ca 0.52 0.00 0.07 0.00 0.77 0.00 0.00 58.65 60.01 1itf h GLN 40 Cb 0.60 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1itf h GLN 40 CO 1.89 0.00 0.18 1.49 -1.93 0.00 0.00 178.83 180.45 1itf h GLU 41 N 0.00 0.00 -1.00 1.69 4.81 -2.01 0.27 114.58 118.35 1itf h GLU 41 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 1itf h GLU 41 Cb 0.49 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.56 1itf h GLU 41 CO 0.00 0.00 0.68 -1.91 -0.73 0.00 0.00 179.01 177.05 1itf n GLU 42 N -4.38 2.29 -2.76 1.92 4.07 -1.00 -4.30 120.64 116.49 1itf n GLU 42 Ca 0.03 -3.00 -0.04 0.00 -0.06 0.00 0.00 57.16 54.09 1itf n GLU 42 Cb 0.33 -2.18 0.05 0.00 -0.06 0.00 0.00 31.44 29.58 1itf n GLU 42 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1itf n PHE 43 N -1.09 0.75 0.00 4.31 3.72 0.96 -4.92 117.46 121.20 1itf n PHE 43 Ca 0.59 -2.32 0.00 0.00 -0.05 0.00 0.00 57.45 55.68 1itf n PHE 43 Cb 1.52 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 40.02 1itf n PHE 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1itf n GLY 44 N -0.49 0.57 3.77 1.37 0.00 -1.25 -4.61 105.19 104.54 1itf n GLY 44 Ca 0.05 0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1itf n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1itf s ASN 45 N 1.24 6.78 -1.26 1.61 0.02 -1.26 -2.47 114.94 119.59 1itf s ASN 45 Ca 0.00 2.30 0.00 0.00 -1.02 0.00 0.00 52.86 54.14 1itf s ASN 45 Cb 0.00 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.65 1itf s ASN 45 CO 0.00 -0.49 0.00 1.67 0.02 0.00 0.00 177.10 178.30 1itf n GLN 46 N 0.39 -0.86 -3.80 -0.60 7.27 -1.26 -4.99 117.38 113.54 1itf n GLN 46 Ca 0.03 0.88 -0.13 0.00 0.07 0.00 0.00 57.00 57.85 1itf n GLN 46 Cb 0.46 -4.92 -0.13 0.00 2.41 0.00 0.00 30.24 28.07 1itf n GLN 46 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1itf s PHE 47 N -2.47 -0.20 0.00 3.69 0.08 -1.03 -4.82 117.98 113.22 1itf s PHE 47 Ca 0.00 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.55 1itf s PHE 47 Cb 0.00 0.05 0.00 0.00 -0.57 0.00 0.00 43.02 42.50 1itf s PHE 47 CO 0.00 -0.12 0.00 0.00 -0.10 0.00 0.00 175.22 175.00 1itf n GLN 48 N 3.25 0.00 0.00 0.44 10.64 -1.26 -4.69 117.38 125.76 1itf n GLN 48 Ca -0.15 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.04 1itf n GLN 48 Cb 0.57 0.00 0.16 0.00 -0.86 0.00 0.00 30.24 30.11 1itf n GLN 48 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1itf n LYS 49 N 0.00 0.91 -0.13 2.61 4.01 -1.26 -3.10 118.16 121.20 1itf n LYS 49 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1itf n LYS 49 Cb 0.00 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 1itf n LYS 49 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1itf n ALA 50 N -0.59 1.27 0.00 7.82 0.00 -1.26 -3.04 120.51 124.71 1itf n ALA 50 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1itf n ALA 50 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1itf n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1itf n GLU 51 N -0.00 0.00 0.00 0.00 1.02 -1.20 -4.24 120.64 116.22 1itf n GLU 51 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 1itf n GLU 51 Cb 0.55 -0.77 0.66 0.00 -0.02 0.00 0.00 31.44 31.86 1itf n GLU 51 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1itf n THR 52 N -2.37 0.00 -0.22 2.62 -2.24 -1.18 -4.29 114.28 106.60 1itf n THR 52 Ca 0.00 -0.13 -0.01 0.00 -2.27 0.00 0.00 64.05 61.64 1itf n THR 52 Cb 0.37 0.08 0.06 0.00 -2.10 0.00 0.00 70.33 68.74 1itf n THR 52 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1itf h ILE 53 N 1.24 0.31 -0.12 2.28 2.04 -1.84 1.46 117.51 122.88 1itf h ILE 53 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 1itf h ILE 53 Cb 0.33 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1itf h ILE 53 CO 0.00 0.00 -0.24 1.55 0.00 0.00 0.00 178.15 179.46 1itf h PRO 54 N -0.04 0.20 -0.10 2.37 0.13 -1.86 0.29 132.00 133.01 1itf h PRO 54 Ca 0.30 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.32 1itf h PRO 54 Cb 0.50 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1itf h PRO 54 CO -0.67 0.44 -0.13 0.28 -0.23 0.00 0.00 178.00 177.69 1itf h VAL 55 N 0.19 1.38 -0.12 1.56 2.07 -0.39 -2.34 116.25 118.60 1itf h VAL 55 Ca 0.03 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1itf h VAL 55 Cb 0.53 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1itf h VAL 55 CO 0.04 0.38 -0.04 -0.07 0.02 0.00 0.00 177.57 177.90 1itf h LEU 56 N -0.18 0.16 -0.19 2.57 3.38 0.20 -0.10 115.31 121.16 1itf h LEU 56 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1itf h LEU 56 Cb 0.67 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1itf h LEU 56 CO 0.03 0.24 0.01 -0.74 0.09 0.00 0.00 178.44 178.06 1itf h HIS 57 N 0.18 0.36 -0.00 1.13 2.76 -0.75 0.00 115.15 118.82 1itf h HIS 57 Ca 0.04 -0.06 -0.13 0.00 -2.20 0.00 0.00 60.37 58.02 1itf h HIS 57 Cb 0.20 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 1itf h HIS 57 CO 0.00 0.52 -0.62 1.49 -1.30 0.00 0.00 177.93 178.02 1itf h GLU 58 N 0.09 0.01 -0.11 5.26 4.57 -1.02 0.18 114.58 123.57 1itf h GLU 58 Ca 0.05 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1itf h GLU 58 Cb 0.37 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1itf h GLU 58 CO 0.01 0.63 -0.02 1.98 -1.18 0.00 0.00 179.01 180.42 1itf h MET 59 N 0.01 0.20 0.00 1.92 4.05 -0.86 0.76 114.93 121.01 1itf h MET 59 Ca -0.01 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 1itf h MET 59 Cb 1.09 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.88 1itf h MET 59 CO 0.08 0.51 -0.08 0.82 0.23 0.00 0.00 176.91 178.47 1itf h ILE 60 N -0.11 0.19 -0.04 1.77 2.04 -0.94 0.61 117.51 121.02 1itf h ILE 60 Ca 0.03 -0.78 -0.21 0.00 1.00 0.00 0.00 64.86 64.90 1itf h ILE 60 Cb 0.43 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1itf h ILE 60 CO 0.01 0.08 -0.86 -0.61 0.00 0.00 0.00 178.15 176.77 1itf h GLN 61 N 0.00 0.46 -0.06 2.37 5.75 -0.62 0.31 115.11 123.32 1itf h GLN 61 Ca -0.00 -0.44 -0.18 0.00 -0.15 0.00 0.00 58.65 57.88 1itf h GLN 61 Cb 0.65 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 1itf h GLN 61 CO 0.01 1.08 -0.73 1.96 -2.65 0.00 0.00 178.83 178.50 1itf h GLN 62 N 0.28 0.31 0.00 1.69 1.08 -0.26 -2.32 115.11 115.90 1itf h GLN 62 Ca -0.06 -0.26 -0.14 0.00 -1.45 0.00 0.00 58.65 56.73 1itf h GLN 62 Cb 1.47 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.94 1itf h GLN 62 CO 0.15 0.91 -0.68 0.82 -0.95 0.00 0.00 178.83 179.08 1itf h ILE 63 N 0.21 1.40 -0.04 2.54 2.04 -0.80 0.15 117.51 123.00 1itf h ILE 63 Ca -0.03 -2.40 -0.00 0.00 1.00 0.00 0.00 64.86 63.42 1itf h ILE 63 Cb 1.30 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1itf h ILE 63 CO 0.12 0.67 0.01 0.15 0.00 0.00 0.00 178.15 179.09 1itf h PHE 64 N 0.00 0.07 0.04 1.37 3.04 -0.12 -0.85 116.94 120.50 1itf h PHE 64 Ca -0.01 -0.01 -0.23 0.00 3.98 0.00 0.00 57.97 61.71 1itf h PHE 64 Cb 1.27 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 1itf h PHE 64 CO 0.00 0.29 -1.05 -0.91 -2.02 0.00 0.00 178.31 174.62 1itf h ASN 65 N -0.17 0.19 -0.13 0.41 4.21 -1.44 0.22 115.58 118.89 1itf h ASN 65 Ca 0.01 -0.19 -0.02 0.00 1.21 0.00 0.00 56.30 57.31 1itf h ASN 65 Cb 0.26 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 1itf h ASN 65 CO 0.00 1.11 0.03 0.25 -1.29 0.00 0.00 177.43 177.53 1itf h LEU 66 N 0.05 0.25 0.00 1.61 5.85 -0.64 0.05 115.31 122.48 1itf h LEU 66 Ca -0.06 -0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.46 1itf h LEU 66 Cb 1.77 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 1itf h LEU 66 CO 0.15 0.28 -2.02 0.49 -0.34 0.00 0.00 178.44 177.00 1itf n PHE 67 N -4.40 0.21 0.24 1.25 3.01 -0.33 -4.14 117.46 113.30 1itf n PHE 67 Ca -0.00 0.07 0.14 0.00 1.01 0.00 0.00 57.45 58.67 1itf n PHE 67 Cb 0.16 -0.82 0.39 0.00 -0.01 0.00 0.00 39.48 39.20 1itf n PHE 67 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1itf h SER 68 N 0.00 0.00 -3.42 4.37 0.87 -0.20 -3.19 113.55 111.98 1itf h SER 68 Ca -0.25 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.74 1itf h SER 68 Cb 1.61 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 63.73 1itf h SER 68 CO 0.02 0.01 0.08 0.35 -0.53 0.00 0.00 176.83 176.75 1itf n THR 69 N -3.10 3.30 0.26 2.23 -2.24 -0.03 -4.61 114.28 110.09 1itf n THR 69 Ca 0.02 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1itf n THR 69 Cb 0.43 -1.10 0.73 0.00 -2.10 0.00 0.00 70.33 68.29 1itf n THR 69 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1itf h LYS 70 N 0.66 0.00 0.00 -0.78 1.79 -1.91 0.33 116.57 116.66 1itf h LYS 70 Ca -0.47 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.90 1itf h LYS 70 Cb 1.36 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.00 1itf h LYS 70 CO 0.51 0.09 -0.43 0.38 -1.08 0.00 0.00 179.45 178.92 1itf h ASP 71 N 0.00 0.00 0.25 0.86 3.04 -1.93 -2.53 116.42 116.11 1itf h ASP 71 Ca -0.00 0.00 -0.33 0.00 -3.24 0.00 0.00 57.03 53.46 1itf h ASP 71 Cb 0.20 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.44 1itf h ASP 71 CO 0.01 0.43 -2.02 -0.24 -2.04 0.00 0.00 179.24 175.38 1itf n SER 72 N -3.49 0.82 -0.01 4.15 2.88 -0.40 -2.90 113.62 114.67 1itf n SER 72 Ca 0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1itf n SER 72 Cb 0.57 0.16 0.31 0.00 -0.75 0.00 0.00 64.21 64.50 1itf n SER 72 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1itf h SER 73 N 0.01 0.50 1.14 -3.46 0.02 -0.40 -0.42 113.55 110.94 1itf h SER 73 Ca -0.41 -0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.29 1itf h SER 73 Cb 2.08 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 64.47 1itf h SER 73 CO 0.05 0.54 -0.88 0.00 -1.14 0.00 0.00 176.83 175.40 1itf h ALA 74 N 1.52 0.56 -0.50 3.77 0.00 -1.60 -3.29 119.26 119.72 1itf h ALA 74 Ca 0.12 -0.75 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 1itf h ALA 74 Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1itf h ALA 74 CO 0.00 0.97 -0.15 0.00 0.00 0.00 0.00 179.25 180.07 1itf h ALA 75 N 1.27 0.78 -1.25 0.00 0.00 -1.16 -3.45 119.26 115.44 1itf h ALA 75 Ca -0.05 -0.36 -0.56 0.00 0.00 0.00 0.00 54.91 53.94 1itf h ALA 75 Cb 1.60 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 1itf h ALA 75 CO 0.09 0.66 -0.43 -1.58 0.00 0.00 0.00 179.25 177.99 1itf s TRP 76 N -4.77 2.35 0.17 0.00 0.52 -0.27 -4.97 118.94 111.97 1itf s TRP 76 Ca -0.11 -0.65 -0.31 0.00 0.02 0.00 0.00 56.10 55.05 1itf s TRP 76 Cb 0.13 -1.97 -0.09 0.00 -1.15 0.00 0.00 33.47 30.39 1itf s TRP 76 CO 0.86 -0.03 1.41 -0.51 0.02 0.00 0.00 176.95 178.70 1itf s ASP 77 N -4.04 6.77 0.45 2.95 1.11 -1.26 -4.79 116.67 117.86 1itf s ASP 77 Ca 0.38 2.47 0.18 0.00 0.18 0.00 0.00 52.55 55.76 1itf s ASP 77 Cb 0.01 -2.60 1.07 0.00 1.07 0.00 0.00 42.92 42.46 1itf s ASP 77 CO 0.22 -0.66 1.97 1.05 1.18 0.00 0.00 175.17 178.93 1itf h GLU 78 N 6.05 0.00 0.13 8.23 4.11 -1.95 0.27 114.58 131.41 1itf h GLU 78 Ca -0.44 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.79 1itf h GLU 78 Cb 1.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.48 1itf h GLU 78 CO 0.83 0.21 -0.88 1.15 0.07 0.00 0.00 179.01 180.39 1itf h THR 79 N 0.00 1.46 -0.44 -1.06 2.02 -1.95 0.16 112.91 113.10 1itf h THR 79 Ca -0.00 -2.48 -0.05 0.00 0.77 0.00 0.00 66.41 64.65 1itf h THR 79 Cb 0.42 3.07 -0.02 0.00 -1.74 0.00 0.00 68.15 69.88 1itf h THR 79 CO 0.03 0.71 0.08 -0.07 0.37 0.00 0.00 175.52 176.64 1itf h LEU 80 N -0.24 0.63 -0.53 2.58 3.38 -1.89 -1.26 115.31 117.97 1itf h LEU 80 Ca -0.15 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 1itf h LEU 80 Cb 1.67 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1itf h LEU 80 CO 0.17 0.64 -0.67 -0.07 0.09 0.00 0.00 178.44 178.60 1itf h LEU 81 N 0.65 0.34 -0.02 1.67 3.38 -0.49 -1.59 115.31 119.25 1itf h LEU 81 Ca 0.14 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1itf h LEU 81 Cb 0.29 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1itf h LEU 81 CO 0.00 0.91 -0.16 -0.78 0.09 0.00 0.00 178.44 178.50 1itf h ASP 82 N 0.20 -0.47 -0.21 -0.43 3.58 0.47 0.40 116.42 119.96 1itf h ASP 82 Ca -0.02 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 1itf h ASP 82 Cb 1.21 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.45 1itf h ASP 82 CO 0.11 -0.22 -0.01 0.11 -2.88 0.00 0.00 179.24 176.35 1itf h LYS 83 N -0.26 0.50 -0.08 0.28 1.57 -1.33 -1.61 116.57 115.65 1itf h LYS 83 Ca 0.06 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1itf h LYS 83 Cb 0.33 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1itf h LYS 83 CO -0.17 0.54 -0.21 0.35 -0.57 0.00 0.00 179.45 179.39 1itf h PHE 84 N 0.48 0.14 -0.13 -1.35 3.57 -0.07 -0.06 116.94 119.52 1itf h PHE 84 Ca 0.10 -0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.38 1itf h PHE 84 Cb 0.33 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1itf h PHE 84 CO 0.01 0.34 -0.73 1.88 -2.23 0.00 0.00 178.31 177.58 1itf h TYR 85 N 0.13 0.84 -0.23 0.41 0.05 0.67 -0.82 116.97 118.02 1itf h TYR 85 Ca 0.02 -0.36 -0.13 0.00 0.05 0.00 0.00 58.73 58.31 1itf h TYR 85 Cb 0.45 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1itf h TYR 85 CO 0.00 1.16 -0.42 1.15 -1.05 0.00 0.00 178.16 179.00 1itf h THR 86 N 0.43 1.30 -0.06 -2.88 2.02 -0.84 -0.38 112.91 112.51 1itf h THR 86 Ca -0.04 -1.59 -0.18 0.00 0.77 0.00 0.00 66.41 65.38 1itf h THR 86 Cb 1.33 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1itf h THR 86 CO 0.14 0.50 -0.73 -0.33 0.37 0.00 0.00 175.52 175.47 1itf h GLU 87 N 0.45 0.34 -0.26 6.66 4.39 -0.97 0.63 114.58 125.82 1itf h GLU 87 Ca 0.04 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.37 1itf h GLU 87 Cb 0.92 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1itf h GLU 87 CO 0.08 0.93 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.62 1itf h LEU 88 N 0.23 0.59 -0.57 1.33 3.38 -0.94 -1.37 115.31 117.96 1itf h LEU 88 Ca -0.03 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 1itf h LEU 88 Cb 1.30 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1itf h LEU 88 CO 0.12 0.90 -0.55 0.22 0.09 0.00 0.00 178.44 179.23 1itf h TYR 89 N 0.29 0.00 0.03 1.13 5.03 -1.06 0.68 116.97 123.07 1itf h TYR 89 Ca 0.05 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.36 1itf h TYR 89 Cb 0.70 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.98 1itf h TYR 89 CO 0.07 0.55 -0.01 0.37 -1.32 0.00 0.00 178.16 177.81 1itf h GLN 90 N 0.00 -0.04 -0.00 1.82 4.15 -0.76 0.18 115.11 120.46 1itf h GLN 90 Ca -0.01 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 1itf h GLN 90 Cb 1.17 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 1itf h GLN 90 CO 0.07 0.38 -0.31 0.37 -1.93 0.00 0.00 178.83 177.42 1itf h GLN 91 N -0.47 0.01 -0.20 1.69 5.75 -1.24 -1.69 115.11 118.96 1itf h GLN 91 Ca -0.00 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 1itf h GLN 91 Cb 0.44 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1itf h GLN 91 CO 0.01 0.31 -0.34 -0.07 -2.65 0.00 0.00 178.83 176.09 1itf h LEU 92 N 0.01 0.44 -0.36 -2.39 3.38 -0.58 0.52 115.31 116.32 1itf h LEU 92 Ca -0.00 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1itf h LEU 92 Cb 0.54 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1itf h LEU 92 CO 0.04 0.75 -0.22 -1.13 0.09 0.00 0.00 178.44 177.97 1itf h ASN 93 N 0.36 0.81 -0.45 -0.43 -0.73 0.25 -0.15 115.58 115.23 1itf h ASN 93 Ca 0.04 -0.42 -0.10 0.00 1.87 0.00 0.00 56.30 57.68 1itf h ASN 93 Cb 0.77 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 1itf h ASN 93 CO 0.06 1.06 -0.13 0.44 -0.37 0.00 0.00 177.43 178.49 1itf h ASP 94 N 0.56 0.90 -0.12 1.15 5.19 -1.20 -0.79 116.42 122.11 1itf h ASP 94 Ca 0.07 -0.37 -0.04 0.00 -0.62 0.00 0.00 57.03 56.07 1itf h ASP 94 Cb 0.77 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1itf h ASP 94 CO 0.06 1.06 -0.04 -0.07 -3.12 0.00 0.00 179.24 177.13 1itf h LEU 95 N 0.73 0.35 -0.04 1.55 3.38 -0.78 -2.76 115.31 117.73 1itf h LEU 95 Ca 0.11 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1itf h LEU 95 Cb 0.68 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1itf h LEU 95 CO 0.05 0.44 -0.33 -0.08 0.09 0.00 0.00 178.44 178.61 1itf h GLU 96 N 0.36 0.30 -0.90 1.13 4.81 -0.70 -2.86 114.58 116.73 1itf h GLU 96 Ca 0.08 -0.27 0.18 0.00 -0.13 0.00 0.00 59.36 59.22 1itf h GLU 96 Cb 0.31 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.64 1itf h GLU 96 CO 0.01 0.93 0.46 0.00 -0.73 0.00 0.00 179.01 179.69 1itf h ALA 97 N 0.38 1.41 -0.37 2.92 0.00 -0.94 0.46 119.26 123.12 1itf h ALA 97 Ca -0.03 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1itf h ALA 97 Cb 1.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1itf h ALA 97 CO 0.07 -0.15 0.16 0.00 0.00 0.00 0.00 179.25 179.33 1itf h VAL 99 N 0.45 1.24 0.23 0.00 2.07 -0.42 -3.18 116.25 116.64 1itf h VAL 99 Ca 0.12 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1itf h VAL 99 Cb 0.15 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1itf h VAL 99 CO -0.01 0.34 -0.21 0.40 0.02 0.00 0.00 177.57 178.11 1itf h ILE 100 N 0.62 0.54 -3.34 4.57 2.04 -0.00 -3.44 117.51 118.50 1itf h ILE 100 Ca 0.12 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.65 1itf h ILE 100 Cb 0.47 0.54 0.14 0.00 -0.74 0.00 0.00 36.82 37.23 1itf h ILE 100 CO 0.02 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.46 1itf n GLN 101 N -5.34 -1.24 -2.13 2.37 1.13 -1.17 -4.96 117.38 106.04 1itf n GLN 101 Ca -0.08 -1.54 -0.40 0.00 -1.94 0.00 0.00 57.00 53.03 1itf n GLN 101 Cb 0.25 -1.08 0.03 0.00 0.11 0.00 0.00 30.24 29.55 1itf n GLN 101 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1itf n GLY 102 N -1.88 5.70 3.63 1.08 0.00 -1.26 -4.96 105.19 107.49 1itf n GLY 102 Ca 0.13 -2.51 -0.30 0.00 0.00 0.00 0.00 46.02 43.33 1itf n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1itf s VAL 103 N -4.88 2.16 -0.71 1.61 1.01 -1.26 -4.72 120.40 113.61 1itf s VAL 103 Ca 0.48 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 1itf s VAL 103 Cb 0.37 -2.13 -0.14 0.00 0.00 0.00 0.00 36.38 34.47 1itf s VAL 103 CO -0.33 -0.07 2.44 0.61 0.00 0.00 0.00 175.10 177.74 1itf n GLY 104 N 0.22 -0.10 3.02 4.51 0.00 -1.26 -4.87 105.19 106.71 1itf n GLY 104 Ca 0.09 0.57 -0.10 0.00 0.00 0.00 0.00 46.02 46.58 1itf n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1itf s VAL 105 N 11.22 0.10 0.47 1.61 1.01 -1.26 -4.51 120.40 129.04 1itf s VAL 105 Ca 1.06 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1itf s VAL 105 Cb -0.41 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1itf s VAL 105 CO 0.28 -0.46 0.82 0.42 0.00 0.00 0.00 175.10 176.17 1itf s THR 106 N -1.42 4.81 0.00 3.92 -4.23 -1.26 -4.98 115.64 112.47 1itf s THR 106 Ca -0.15 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 1itf s THR 106 Cb -0.09 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1itf s THR 106 CO -0.00 -0.74 0.00 1.21 -0.54 0.00 0.00 174.62 174.55 1itf n GLU 107 N -1.87 0.00 -0.13 3.99 4.07 -1.26 -4.81 120.64 120.63 1itf n GLU 107 Ca 0.02 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.08 1itf n GLU 107 Cb 0.54 -0.10 0.03 0.00 -0.06 0.00 0.00 31.44 31.86 1itf n GLU 107 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1itf h THR 108 N 0.00 0.70 -4.21 6.31 2.02 -2.05 -3.43 112.91 112.25 1itf h THR 108 Ca 0.00 -0.04 -0.52 0.00 0.77 0.00 0.00 66.41 66.62 1itf h THR 108 Cb 0.00 0.56 0.13 0.00 -1.74 0.00 0.00 68.15 67.11 1itf h THR 108 CO 0.00 0.02 0.36 -2.16 0.37 0.00 0.00 175.52 174.11 1itf s PRO 109 N -6.17 2.37 0.00 6.66 0.04 -1.26 -4.93 135.00 131.71 1itf s PRO 109 Ca -0.13 1.49 0.27 0.00 0.04 0.00 0.00 61.00 62.66 1itf s PRO 109 Cb 0.14 -1.89 1.20 0.00 0.04 0.00 0.00 34.50 34.00 1itf s PRO 109 CO 0.71 -1.60 1.88 1.28 0.04 0.00 0.00 177.00 179.30 1itf n LEU 110 N -2.81 0.00 -0.15 -3.56 7.99 -1.26 -3.68 117.00 113.52 1itf n LEU 110 Ca 0.11 0.44 0.26 0.00 -0.01 0.00 0.00 56.01 56.81 1itf n LEU 110 Cb 0.52 -0.44 0.70 0.00 -0.11 0.00 0.00 43.42 44.08 1itf n LEU 110 CO 0.49 -0.04 1.24 0.00 -1.51 0.00 0.00 177.39 177.57 1itf h MET 111 N 0.00 0.04 -0.07 3.23 -0.00 -1.92 0.36 114.93 116.57 1itf h MET 111 Ca 0.00 -0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.74 1itf h MET 111 Cb 0.40 -0.01 -0.06 0.00 -0.00 0.00 0.00 31.60 31.94 1itf h MET 111 CO 0.00 0.03 -0.33 -0.22 -0.00 0.00 0.00 176.91 176.39 1itf h LYS 112 N 0.04 -0.43 0.00 -0.10 3.64 -1.88 -1.01 116.57 116.84 1itf h LYS 112 Ca 0.39 0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.59 1itf h LYS 112 Cb 1.51 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.39 1itf h LYS 112 CO -0.02 -0.28 -1.40 1.49 -2.27 0.00 0.00 179.45 176.97 1itf h GLU 113 N -0.44 0.00 -0.15 1.90 4.81 -1.64 -3.32 114.58 115.74 1itf h GLU 113 Ca 0.08 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1itf h GLU 113 Cb 0.56 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1itf h GLU 113 CO -0.31 0.44 0.04 0.22 -0.73 0.00 0.00 179.01 178.67 1itf h ASP 114 N 0.00 0.03 -0.54 1.04 3.58 -0.10 1.19 116.42 121.63 1itf h ASP 114 Ca -0.18 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 1itf h ASP 114 Cb 1.73 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.77 1itf h ASP 114 CO 0.07 0.04 0.25 0.77 -2.88 0.00 0.00 179.24 177.49 1itf h SER 115 N 0.11 0.71 0.12 2.28 4.64 -1.35 0.22 113.55 120.29 1itf h SER 115 Ca 0.07 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.13 1itf h SER 115 Cb 0.05 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1itf h SER 115 CO -0.08 0.65 -0.42 0.40 -0.87 0.00 0.00 176.83 176.51 1itf h ILE 116 N 0.73 1.31 -0.33 0.95 2.04 -1.57 -2.34 117.51 118.30 1itf h ILE 116 Ca 0.18 -1.57 -0.07 0.00 1.00 0.00 0.00 64.86 64.40 1itf h ILE 116 Cb 0.13 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1itf h ILE 116 CO -0.02 0.48 -0.10 0.25 0.00 0.00 0.00 178.15 178.76 1itf h LEU 117 N 0.31 0.53 -0.08 1.44 6.46 0.20 0.28 115.31 124.45 1itf h LEU 117 Ca 0.03 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1itf h LEU 117 Cb 0.87 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1itf h LEU 117 CO 0.07 0.67 0.01 0.00 -0.62 0.00 0.00 178.44 178.57 1itf h ALA 118 N 1.39 0.11 0.00 1.25 0.00 -0.58 -0.65 119.26 120.78 1itf h ALA 118 Ca 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1itf h ALA 118 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1itf h ALA 118 CO 0.03 -0.22 -0.18 0.28 0.00 0.00 0.00 179.25 179.16 1itf h VAL 119 N -0.12 0.81 -0.08 0.00 2.07 -1.13 -1.13 116.25 116.67 1itf h VAL 119 Ca 0.02 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1itf h VAL 119 Cb 0.32 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1itf h VAL 119 CO 0.00 0.18 -0.03 -0.09 0.02 0.00 0.00 177.57 177.65 1itf h ARG 120 N 0.00 0.15 0.00 1.57 1.12 0.22 -0.76 114.38 116.69 1itf h ARG 120 Ca -0.00 -0.07 -0.05 0.00 -1.11 0.00 0.00 59.98 58.75 1itf h ARG 120 Cb 0.40 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.35 1itf h ARG 120 CO 0.02 0.51 -0.26 1.57 -3.11 0.00 0.00 179.97 178.71 1itf h LYS 121 N -0.21 0.00 0.16 0.20 2.10 -0.87 0.26 116.57 118.20 1itf h LYS 121 Ca 0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1itf h LYS 121 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1itf h LYS 121 CO 0.01 0.26 -0.08 -0.92 -2.00 0.00 0.00 179.45 176.72 1itf h TYR 122 N 0.00 -0.20 0.00 0.07 3.20 -0.96 -1.74 116.97 117.34 1itf h TYR 122 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1itf h TYR 122 Cb 0.67 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1itf h TYR 122 CO 0.00 0.17 -0.28 0.74 -1.64 0.00 0.00 178.16 177.15 1itf h PHE 123 N -0.61 0.00 -0.58 -3.82 -1.00 -1.02 -2.08 116.94 107.83 1itf h PHE 123 Ca -0.02 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.72 1itf h PHE 123 Cb 0.46 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.99 1itf h PHE 123 CO 0.05 0.28 0.23 0.37 -1.61 0.00 0.00 178.31 177.62 1itf h GLN 124 N 0.00 0.87 -0.47 1.51 4.15 -0.79 0.36 115.11 120.74 1itf h GLN 124 Ca -0.00 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 1itf h GLN 124 Cb 0.61 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1itf h GLN 124 CO 0.04 0.76 0.02 -0.09 -1.93 0.00 0.00 178.83 177.62 1itf h ARG 125 N 0.80 0.77 -0.57 1.69 9.65 -0.76 -1.72 114.38 124.24 1itf h ARG 125 Ca 0.19 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 1itf h ARG 125 Cb 0.21 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 1itf h ARG 125 CO -0.01 0.77 0.10 0.82 2.80 0.00 0.00 179.97 184.44 1itf h ILE 126 N 0.73 1.24 -0.52 1.20 2.04 -0.71 -0.02 117.51 121.47 1itf h ILE 126 Ca 0.15 -0.93 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 1itf h ILE 126 Cb 0.42 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1itf h ILE 126 CO 0.02 0.34 -0.07 0.74 0.00 0.00 0.00 178.15 179.18 1itf h THR 127 N 0.87 1.27 -0.16 -0.27 2.02 -0.30 -1.44 112.91 114.89 1itf h THR 127 Ca 0.18 -1.21 -0.16 0.00 0.77 0.00 0.00 66.41 66.00 1itf h THR 127 Cb 0.38 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1itf h THR 127 CO 0.01 0.42 -0.56 -0.07 0.37 0.00 0.00 175.52 175.69 1itf h LEU 128 N 0.84 0.54 -0.76 2.58 -0.00 -1.07 -1.83 115.31 115.61 1itf h LEU 128 Ca 0.14 -0.29 -0.07 0.00 -0.00 0.00 0.00 57.88 57.66 1itf h LEU 128 Cb 0.63 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 1itf h LEU 128 CO 0.04 0.99 0.18 0.22 -0.00 0.00 0.00 178.44 179.87 1itf h TYR 129 N 0.37 1.17 -0.37 1.13 3.20 -0.83 0.21 116.97 121.84 1itf h TYR 129 Ca 0.00 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.70 1itf h TYR 129 Cb 1.10 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1itf h TYR 129 CO 0.04 0.95 0.06 -0.07 -1.64 0.00 0.00 178.16 177.49 1itf h LEU 130 N 1.07 0.59 -1.41 2.82 3.38 -1.11 -1.36 115.31 119.29 1itf h LEU 130 Ca 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1itf h LEU 130 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1itf h LEU 130 CO 0.00 0.70 -0.17 0.11 0.09 0.00 0.00 178.44 179.17 1itf h LYS 131 N 0.45 0.00 -0.05 1.13 1.57 -1.00 0.70 116.57 119.38 1itf h LYS 131 Ca 0.11 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1itf h LYS 131 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1itf h LYS 131 CO 0.01 0.17 -0.09 1.49 -0.57 0.00 0.00 179.45 180.46 1itf h GLU 132 N 0.00 0.14 -0.03 3.15 4.81 -0.01 -2.88 114.58 119.77 1itf h GLU 132 Ca -0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1itf h GLU 132 Cb 0.60 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1itf h GLU 132 CO 0.02 0.67 0.00 1.63 -0.73 0.00 0.00 179.01 180.60 1itf n LYS 133 N -4.69 1.20 -3.25 1.92 4.01 -0.57 -4.89 118.16 111.90 1itf n LYS 133 Ca -0.08 -0.30 -0.21 0.00 -0.51 0.00 0.00 58.31 57.21 1itf n LYS 133 Cb 0.34 -1.38 0.05 0.00 -0.51 0.00 0.00 35.03 33.54 1itf n LYS 133 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1itf n LYS 134 N -0.54 -6.01 -3.35 1.97 5.02 0.17 -2.83 118.16 112.59 1itf n LYS 134 Ca 0.17 0.79 -0.16 0.00 -2.02 0.00 0.00 58.31 57.09 1itf n LYS 134 Cb 0.15 -5.56 0.08 0.00 -0.02 0.00 0.00 35.03 29.69 1itf n LYS 134 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1itf n TYR 135 N -4.62 -2.17 -1.88 2.13 4.01 0.22 -4.98 117.16 109.87 1itf n TYR 135 Ca -0.04 0.90 -0.31 0.00 -0.16 0.00 0.00 57.90 58.29 1itf n TYR 135 Cb 0.58 -4.83 0.02 0.00 -0.31 0.00 0.00 39.34 34.81 1itf n TYR 135 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1itf s SER 136 N -4.14 5.93 0.24 7.72 0.01 -1.13 -4.91 113.70 117.42 1itf s SER 136 Ca 0.08 1.30 -0.00 0.00 1.31 0.00 0.00 55.95 58.65 1itf s SER 136 Cb -0.01 -2.26 0.28 0.00 0.21 0.00 0.00 66.02 64.24 1itf s SER 136 CO 0.71 -1.05 1.64 1.55 0.41 0.00 0.00 173.24 176.50 1itf h PRO 137 N -0.44 0.54 -0.19 12.44 0.13 -1.94 -0.67 132.00 141.87 1itf h PRO 137 Ca -0.44 -0.25 -0.20 0.00 -0.87 0.00 0.00 66.00 64.24 1itf h PRO 137 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1itf h PRO 137 CO 0.63 0.81 -0.66 0.00 -0.23 0.00 0.00 178.00 178.55 1itf h ALA 139 N 0.73 1.04 -0.11 0.00 0.00 -1.85 -1.64 119.26 117.43 1itf h ALA 139 Ca -0.02 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1itf h ALA 139 Cb 1.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1itf h ALA 139 CO 0.13 0.64 -0.48 -1.49 0.00 0.00 0.00 179.25 178.05 1itf h TRP 140 N 1.01 0.33 -0.74 0.00 4.06 -0.99 -1.84 115.95 117.79 1itf h TRP 140 Ca 0.22 -0.10 -0.05 0.00 2.06 0.00 0.00 58.89 61.02 1itf h TRP 140 Cb 0.33 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 1itf h TRP 140 CO 0.02 0.70 0.27 1.49 -3.56 0.00 0.00 178.44 177.37 1itf h GLU 141 N 0.22 1.12 -0.51 0.49 4.57 -0.46 0.40 114.58 120.41 1itf h GLU 141 Ca 0.01 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 57.91 1itf h GLU 141 Cb 0.92 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.32 1itf h GLU 141 CO 0.08 0.93 0.08 0.28 -1.18 0.00 0.00 179.01 179.20 1itf h VAL 142 N 1.08 1.25 0.00 0.32 2.07 -1.07 -1.88 116.25 118.02 1itf h VAL 142 Ca 0.24 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1itf h VAL 142 Cb 0.25 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1itf h VAL 142 CO -0.02 0.34 -0.17 0.58 0.02 0.00 0.00 177.57 178.32 1itf h VAL 143 N 0.73 0.48 -0.06 2.57 2.07 -0.84 -0.52 116.25 120.69 1itf h VAL 143 Ca 0.16 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1itf h VAL 143 Cb 0.41 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1itf h VAL 143 CO 0.01 0.17 -0.09 -0.09 0.02 0.00 0.00 177.57 177.59 1itf h ARG 144 N 0.00 0.16 -0.11 1.57 1.12 0.51 0.25 114.38 117.88 1itf h ARG 144 Ca -0.00 -0.09 -0.09 0.00 -1.11 0.00 0.00 59.98 58.68 1itf h ARG 144 Cb 0.63 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.58 1itf h ARG 144 CO 0.02 0.65 -0.33 0.00 -3.11 0.00 0.00 179.97 177.20 1itf h ALA 145 N 0.50 1.23 -0.01 2.80 0.00 -1.21 -0.17 119.26 122.40 1itf h ALA 145 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1itf h ALA 145 Cb 0.64 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1itf h ALA 145 CO 0.02 0.52 -0.74 0.93 0.00 0.00 0.00 179.25 179.98 1itf h GLU 146 N 0.19 0.11 0.05 0.00 4.39 -0.99 -0.94 114.58 117.39 1itf h GLU 146 Ca 0.02 -0.10 -0.24 0.00 0.34 0.00 0.00 59.36 59.38 1itf h GLU 146 Cb 0.69 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1itf h GLU 146 CO 0.05 0.80 -1.17 0.82 -1.16 0.00 0.00 179.01 178.35 1itf h ILE 147 N 0.07 1.55 -0.11 3.13 1.08 -0.13 -0.40 117.51 122.70 1itf h ILE 147 Ca -0.02 -3.22 -0.23 0.00 -0.39 0.00 0.00 64.86 61.01 1itf h ILE 147 Cb 1.30 2.85 0.01 0.00 -3.07 0.00 0.00 36.82 37.91 1itf h ILE 147 CO 0.11 0.91 -0.82 -0.03 -0.69 0.00 0.00 178.15 177.62 1itf h MET 148 N 0.03 0.71 -0.01 2.37 4.05 -1.03 0.08 114.93 121.13 1itf h MET 148 Ca -0.09 -0.61 -0.01 0.00 -0.28 0.00 0.00 59.70 58.72 1itf h MET 148 Cb 1.87 0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 32.81 1itf h MET 148 CO 0.15 1.22 -0.02 -0.09 0.23 0.00 0.00 176.91 178.40 1itf h ARG 149 N 0.47 0.03 -0.55 0.39 2.43 -1.22 -0.34 114.38 115.58 1itf h ARG 149 Ca -0.06 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1itf h ARG 149 Cb 1.45 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.97 1itf h ARG 149 CO 0.16 0.57 0.36 0.77 -1.51 0.00 0.00 179.97 180.33 1itf h SER 150 N -0.51 0.63 -0.65 -3.80 0.02 -1.12 0.19 113.55 108.30 1itf h SER 150 Ca 0.00 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1itf h SER 150 Cb 0.57 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1itf h SER 150 CO 0.00 0.45 0.29 0.15 -1.14 0.00 0.00 176.83 176.58 1itf h PHE 151 N 0.74 0.96 -0.31 3.45 3.04 -0.99 0.20 116.94 124.03 1itf h PHE 151 Ca 0.20 -0.06 -0.05 0.00 3.98 0.00 0.00 57.97 62.05 1itf h PHE 151 Cb -0.08 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.12 1itf h PHE 151 CO -0.04 0.74 -0.01 1.03 -2.02 0.00 0.00 178.31 178.01 1itf h SER 152 N 0.90 0.45 -0.14 0.41 0.87 -0.41 -1.17 113.55 114.46 1itf h SER 152 Ca 0.22 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 1itf h SER 152 Cb 0.16 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1itf h SER 152 CO -0.02 0.53 -0.41 -0.07 -0.53 0.00 0.00 176.83 176.32 1itf h LEU 153 N 0.47 0.73 -1.18 2.23 3.38 0.21 0.65 115.31 121.79 1itf h LEU 153 Ca 0.10 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1itf h LEU 153 Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1itf h LEU 153 CO 0.01 1.05 -0.29 0.28 0.09 0.00 0.00 178.44 179.57 1itf h SER 154 N 0.56 0.00 -0.10 -0.43 0.02 -0.33 -2.64 113.55 110.62 1itf h SER 154 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1itf h SER 154 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1itf h SER 154 CO 0.09 0.29 0.00 0.35 -1.14 0.00 0.00 176.83 176.42 1itf n THR 155 N -3.57 0.14 1.90 -2.27 -2.24 -0.50 -4.32 114.28 103.42 1itf n THR 155 Ca -0.01 -0.57 0.11 0.00 -2.27 0.00 0.00 64.05 61.31 1itf n THR 155 Cb 0.43 1.27 0.60 0.00 -2.10 0.00 0.00 70.33 70.53 1itf n THR 155 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1itf n ASN 156 N 1.09 0.23 0.00 3.42 5.15 0.22 -4.09 115.26 121.29 1itf n ASN 156 Ca 0.12 -1.39 0.00 0.00 -0.60 0.00 0.00 54.58 52.72 1itf n ASN 156 Cb 0.48 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 1itf n ASN 156 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1itf n LEU 157 N -0.67 0.00 0.11 1.20 7.99 -1.26 -1.90 117.00 122.47 1itf n LEU 157 Ca 0.16 0.36 0.19 0.00 -0.01 0.00 0.00 56.01 56.71 1itf n LEU 157 Cb 0.11 -0.36 0.76 0.00 -0.11 0.00 0.00 43.42 43.81 1itf n LEU 157 CO 0.12 -0.37 1.17 -0.61 -1.51 0.00 0.00 177.39 176.19 1itf h GLN 158 N 0.00 0.00 0.00 3.23 4.15 -1.94 0.19 115.11 120.73 1itf h GLN 158 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1itf h GLN 158 Cb 0.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1itf h GLN 158 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 178.83 174.99 1itf n GLU 159 N -3.97 0.13 0.05 1.69 4.07 -0.80 -1.64 120.64 120.16 1itf n GLU 159 Ca 0.06 0.51 0.07 0.00 -0.06 0.00 0.00 57.16 57.74 1itf n GLU 159 Cb 0.50 -1.82 0.31 0.00 -0.06 0.00 0.00 31.44 30.36 1itf n GLU 159 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1itf n SER 160 N -2.08 0.20 -0.03 4.31 2.88 0.65 -4.89 113.62 114.67 1itf n SER 160 Ca 0.00 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1itf n SER 160 Cb 0.11 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1itf n SER 160 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1itf n LEU 161 N -1.74 0.00 -2.57 2.46 4.77 -0.65 -4.81 117.00 114.46 1itf n LEU 161 Ca 0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.73 1itf n LEU 161 Cb 0.13 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1itf n LEU 161 CO 0.11 0.00 0.17 -1.14 -1.33 0.00 0.00 177.39 175.21 1itf n ARG 162 N 0.03 3.33 -2.81 3.23 0.63 -1.26 -5.01 116.66 114.80 1itf n ARG 162 Ca 0.00 -4.53 -0.43 0.00 -0.92 0.00 0.00 57.85 51.97 1itf n ARG 162 Cb 0.00 -2.22 -0.04 0.00 0.45 0.00 0.00 32.46 30.65 1itf n ARG 162 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1itf s SER 163 N -3.51 6.27 -1.27 6.15 1.04 -1.26 -4.92 113.70 116.20 1itf s SER 163 Ca 0.48 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 56.31 1itf s SER 163 Cb 0.38 -2.44 0.16 0.00 0.10 0.00 0.00 66.02 64.21 1itf s SER 163 CO -0.17 -1.35 2.28 1.17 0.98 0.00 0.00 173.24 176.14 1itf n LYS 164 N 7.73 4.76 0.00 4.02 0.00 -1.26 -5.32 118.16 128.10 1itf n LYS 164 Ca 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 58.31 54.62 1itf n LYS 164 Cb 0.47 -2.60 0.00 0.00 0.00 0.00 0.00 35.03 32.90 1itf n LYS 164 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49