#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 3.96 0.09 0.00 1.01 -1.26 -4.96 116.67 115.51 1itf s ASP 2 Ca 0.00 -2.32 -0.30 0.00 0.71 0.00 0.00 52.55 50.64 1itf s ASP 2 Cb 0.00 -1.12 -0.15 0.00 1.01 0.00 0.00 42.92 42.66 1itf s ASP 2 CO 0.00 -0.32 1.64 -0.07 0.21 0.00 0.00 175.17 176.63 1itf h LEU 3 N 7.20 -0.67 -8.24 1.23 -0.00 -2.03 -3.34 115.31 109.46 1itf h LEU 3 Ca -0.06 0.05 -0.42 0.00 -0.00 0.00 0.00 57.88 57.45 1itf h LEU 3 Cb 0.96 0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 41.77 1itf h LEU 3 CO 0.50 -0.41 1.05 -2.16 -0.00 0.00 0.00 178.44 177.43 1itf s PRO 4 N -6.07 2.89 -1.18 1.13 0.04 -1.26 -4.90 135.00 125.65 1itf s PRO 4 Ca -0.16 -0.38 -0.13 0.00 0.04 0.00 0.00 61.00 60.36 1itf s PRO 4 Cb 0.05 -4.98 0.19 0.00 0.04 0.00 0.00 34.50 29.80 1itf s PRO 4 CO 0.64 -2.88 1.36 -1.14 0.04 0.00 0.00 177.00 175.01 1itf s GLN 5 N 6.38 4.09 -0.20 4.56 0.74 -1.26 -4.69 119.66 129.28 1itf s GLN 5 Ca 0.61 -2.66 0.15 0.00 0.05 0.00 0.00 55.36 53.51 1itf s GLN 5 Cb -0.06 -4.96 0.45 0.00 1.10 0.00 0.00 33.01 29.54 1itf s GLN 5 CO 0.01 -1.67 1.18 0.25 -0.55 0.00 0.00 175.29 174.51 1itf n THR 6 N 4.30 1.65 -4.04 -0.34 -2.24 -1.26 -5.07 114.28 107.28 1itf n THR 6 Ca 0.34 -2.98 -0.11 0.00 -2.27 0.00 0.00 64.05 59.02 1itf n THR 6 Cb 0.42 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1itf n THR 6 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1itf n HIS 7 N -0.56 -0.16 -2.30 4.78 8.25 -1.26 -5.11 115.22 118.86 1itf n HIS 7 Ca 0.21 -0.92 -0.36 0.00 -0.26 0.00 0.00 57.72 56.39 1itf n HIS 7 Cb 0.89 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.85 1itf n HIS 7 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1itf s SER 8 N -2.11 6.06 0.09 0.41 0.15 -1.26 -4.99 113.70 112.04 1itf s SER 8 Ca 0.04 2.21 -0.27 0.00 0.70 0.00 0.00 55.95 58.63 1itf s SER 8 Cb -0.00 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.66 1itf s SER 8 CO 0.03 -0.99 0.84 -0.76 1.20 0.00 0.00 173.24 173.56 1itf s LEU 9 N -3.33 4.49 0.36 3.45 1.02 -1.26 -4.94 118.68 118.48 1itf s LEU 9 Ca 0.67 1.61 0.13 0.00 0.02 0.00 0.00 54.13 56.56 1itf s LEU 9 Cb -0.25 -3.38 0.70 0.00 0.02 0.00 0.00 46.19 43.28 1itf s LEU 9 CO 0.30 0.02 1.80 1.23 0.02 0.00 0.00 176.35 179.72 1itf h GLY 10 N 5.42 0.00 1.58 -3.19 0.00 -1.98 -2.48 103.07 102.43 1itf h GLY 10 Ca -0.44 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1itf h GLY 10 CO 0.70 0.00 0.09 1.76 0.00 0.00 0.00 176.54 179.09 1itf h SER 11 N 0.00 0.49 -0.45 0.19 0.02 -1.96 0.64 113.55 112.47 1itf h SER 11 Ca -0.00 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1itf h SER 11 Cb 0.71 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1itf h SER 11 CO 0.05 0.50 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.13 1itf h ARG 12 N 0.53 0.82 -0.10 3.45 9.65 -1.85 -0.48 114.38 126.40 1itf h ARG 12 Ca 0.12 -0.27 -0.22 0.00 -1.10 0.00 0.00 59.98 58.52 1itf h ARG 12 Cb 0.20 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1itf h ARG 12 CO -0.00 0.88 -0.78 0.00 2.80 0.00 0.00 179.97 182.87 1itf h ARG 13 N 0.66 0.71 -0.35 0.20 2.47 -1.43 -1.32 114.38 115.33 1itf h ARG 13 Ca 0.13 -0.63 -0.02 0.00 -1.26 0.00 0.00 59.98 58.20 1itf h ARG 13 Cb 0.53 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.98 1itf h ARG 13 CO 0.03 1.23 0.16 1.15 0.56 0.00 0.00 179.97 183.10 1itf h THR 14 N 0.40 1.17 -0.19 2.04 2.02 -0.85 -0.31 112.91 117.20 1itf h THR 14 Ca -0.07 -0.51 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 1itf h THR 14 Cb 1.43 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1itf h THR 14 CO 0.16 0.18 -0.26 -0.07 0.37 0.00 0.00 175.52 175.90 1itf h LEU 15 N 0.42 0.35 -0.69 2.58 3.38 -1.13 -1.94 115.31 118.28 1itf h LEU 15 Ca 0.12 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1itf h LEU 15 Cb 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1itf h LEU 15 CO -0.01 0.61 0.15 -0.03 0.09 0.00 0.00 178.44 179.25 1itf h MET 16 N 0.31 1.12 -0.27 1.13 4.05 -0.72 -0.70 114.93 119.86 1itf h MET 16 Ca 0.05 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1itf h MET 16 Cb 0.63 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 1itf h MET 16 CO 0.05 1.00 0.17 -0.07 0.23 0.00 0.00 176.91 178.29 1itf h LEU 17 N 1.06 0.32 -1.24 3.39 3.38 -0.59 -1.76 115.31 119.87 1itf h LEU 17 Ca 0.22 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.19 1itf h LEU 17 Cb 0.40 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1itf h LEU 17 CO 0.01 0.26 0.53 -0.07 0.09 0.00 0.00 178.44 179.25 1itf h LEU 18 N 0.35 0.85 -0.32 1.67 3.38 -0.96 0.13 115.31 120.40 1itf h LEU 18 Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1itf h LEU 18 Cb -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1itf h LEU 18 CO -0.02 0.58 0.20 0.00 0.09 0.00 0.00 178.44 179.28 1itf h ALA 19 N 1.53 0.41 0.00 1.53 0.00 -0.31 -1.84 119.26 120.59 1itf h ALA 19 Ca 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1itf h ALA 19 Cb 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1itf h ALA 19 CO -0.10 -0.09 -0.09 1.96 0.00 0.00 0.00 179.25 180.92 1itf h GLN 20 N 0.42 0.00 0.00 0.00 4.20 -0.63 -2.97 115.11 116.13 1itf h GLN 20 Ca 0.12 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1itf h GLN 20 Cb -0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1itf h GLN 20 CO -0.02 0.09 -0.15 0.52 -0.67 0.00 0.00 178.83 178.60 1itf h MET 21 N 0.00 0.00 -6.24 1.46 2.86 0.09 -3.43 114.93 109.66 1itf h MET 21 Ca -0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.08 1itf h MET 21 Cb 0.75 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 1itf h MET 21 CO 0.01 0.15 1.23 0.50 1.06 0.00 0.00 176.91 179.87 1itf s ARG 22 N -3.68 3.85 -0.13 1.72 3.52 -1.04 -4.85 118.95 118.35 1itf s ARG 22 Ca 0.01 2.16 0.02 0.00 -0.13 0.00 0.00 55.73 57.79 1itf s ARG 22 Cb 0.10 -4.14 -0.24 0.00 -1.56 0.00 0.00 34.95 29.11 1itf s ARG 22 CO 0.61 -1.26 0.33 1.63 -0.81 0.00 0.00 175.30 175.79 1itf n LYS 23 N 7.75 0.70 -4.24 5.12 4.01 -1.26 -4.97 118.16 125.28 1itf n LYS 23 Ca 0.21 0.23 -0.24 0.00 -0.51 0.00 0.00 58.31 58.00 1itf n LYS 23 Cb 0.43 -1.69 -0.08 0.00 -0.51 0.00 0.00 35.03 33.19 1itf n LYS 23 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1itf s ILE 24 N -2.56 2.76 0.17 -0.18 -4.36 -1.26 -5.11 121.20 110.66 1itf s ILE 24 Ca -0.18 -1.85 -0.24 0.00 -0.26 0.00 0.00 60.65 58.12 1itf s ILE 24 Cb 0.07 -2.88 -0.08 0.00 1.25 0.00 0.00 42.46 40.82 1itf s ILE 24 CO 0.76 -0.18 0.76 -0.44 0.24 0.00 0.00 174.94 176.09 1itf s SER 25 N -3.78 7.33 0.27 4.36 0.01 -1.26 -4.95 113.70 115.69 1itf s SER 25 Ca 0.36 1.60 -0.04 0.00 1.31 0.00 0.00 55.95 59.19 1itf s SER 25 Cb -0.01 -2.48 0.36 0.00 0.21 0.00 0.00 66.02 64.09 1itf s SER 25 CO 0.21 0.19 1.95 0.25 0.41 0.00 0.00 173.24 176.24 1itf h LEU 26 N 4.20 1.05 -0.90 2.44 5.85 -1.93 -1.02 115.31 125.00 1itf h LEU 26 Ca -0.47 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.27 1itf h LEU 26 Cb 1.20 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 1itf h LEU 26 CO 0.66 0.76 0.57 -0.26 -0.34 0.00 0.00 178.44 179.83 1itf h PHE 27 N 1.24 1.07 -0.41 1.25 0.04 -2.00 0.23 116.94 118.36 1itf h PHE 27 Ca 0.34 0.03 0.03 0.00 2.80 0.00 0.00 57.97 61.17 1itf h PHE 27 Cb -0.13 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 37.65 1itf h PHE 27 CO -0.00 0.60 0.27 1.03 -0.60 0.00 0.00 178.31 179.61 1itf h SER 28 N 1.09 0.38 -1.98 2.17 0.87 -1.59 -1.91 113.55 112.58 1itf h SER 28 Ca 0.37 -0.01 -0.76 0.00 -1.23 0.00 0.00 61.79 60.17 1itf h SER 28 Cb 0.06 -0.09 -0.28 0.00 -0.44 0.00 0.00 62.40 61.64 1itf h SER 28 CO -0.14 0.26 0.90 0.00 -0.53 0.00 0.00 176.83 177.33 1itf n LEU 30 N -0.49 1.28 -0.02 0.00 4.32 -0.72 -3.38 117.00 117.98 1itf n LEU 30 Ca 0.52 -0.59 0.07 0.00 -0.02 0.00 0.00 56.01 55.99 1itf n LEU 30 Cb 0.27 -0.13 -0.15 0.00 -1.62 0.00 0.00 43.42 41.79 1itf n LEU 30 CO 0.49 0.30 -0.79 0.29 -1.22 0.00 0.00 177.39 176.46 1itf n LYS 31 N 0.13 0.66 -0.69 3.23 4.76 -1.26 -4.33 118.16 120.66 1itf n LYS 31 Ca 0.12 -0.15 -0.01 0.00 -2.87 0.00 0.00 58.31 55.40 1itf n LYS 31 Cb 0.23 -1.47 0.21 0.00 -1.84 0.00 0.00 35.03 32.16 1itf n LYS 31 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1itf n ASP 32 N -2.27 2.87 -4.65 4.39 2.03 -1.22 -4.99 116.55 112.71 1itf n ASP 32 Ca -0.08 -3.55 -0.41 0.00 0.52 0.00 0.00 54.79 51.28 1itf n ASP 32 Cb 0.61 -0.61 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1itf n ASP 32 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1itf s ARG 33 N -3.12 4.21 0.01 -0.67 3.52 -1.24 -4.78 118.95 116.88 1itf s ARG 33 Ca 0.44 0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 56.80 1itf s ARG 33 Cb 0.39 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 1itf s ARG 33 CO 0.02 -0.35 0.02 -1.01 -0.81 0.00 0.00 175.30 173.18 1itf s HIS 34 N 2.25 0.16 -0.10 5.12 3.76 -1.26 -5.10 115.29 120.12 1itf s HIS 34 Ca 0.32 -0.32 -0.26 0.00 -0.15 0.00 0.00 55.06 54.65 1itf s HIS 34 Cb -0.16 -0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.39 1itf s HIS 34 CO 0.10 -0.18 0.84 0.34 -0.85 0.00 0.00 174.74 174.99 1itf s ASP 35 N -1.15 7.07 -0.17 1.40 2.15 -1.26 -4.96 116.67 119.76 1itf s ASP 35 Ca -0.13 1.31 -0.22 0.00 0.43 0.00 0.00 52.55 53.94 1itf s ASP 35 Cb -0.08 -2.47 -0.19 0.00 -0.30 0.00 0.00 42.92 39.88 1itf s ASP 35 CO -0.00 -0.29 0.39 -0.26 -0.17 0.00 0.00 175.17 174.83 1itf h PHE 36 N 7.04 0.00 0.00 -5.34 -1.00 -1.99 -3.50 116.94 112.14 1itf h PHE 36 Ca -0.35 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.43 1itf h PHE 36 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1itf h PHE 36 CO 0.69 1.09 0.00 0.41 -1.61 0.00 0.00 178.31 178.89 1itf n GLY 37 N 1.54 0.67 3.72 -1.45 0.00 -1.26 -5.01 105.19 103.39 1itf n GLY 37 Ca -0.20 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.84 3.57 -1.44 1.61 5.36 -1.26 -4.70 117.98 120.28 1itf s PHE 38 Ca 0.00 1.52 -0.14 0.00 -0.96 0.00 0.00 56.93 57.35 1itf s PHE 38 Cb 0.00 -3.27 0.05 0.00 -0.34 0.00 0.00 43.02 39.46 1itf s PHE 38 CO 0.00 -0.64 2.17 -0.35 -1.46 0.00 0.00 175.22 174.94 1itf n PRO 39 N 3.45 2.92 0.18 10.12 -0.04 -1.26 -4.61 135.00 145.75 1itf n PRO 39 Ca 0.06 -2.71 0.07 0.00 -0.04 0.00 0.00 63.50 60.88 1itf n PRO 39 Cb 0.48 -3.28 0.11 0.00 -0.04 0.00 0.00 33.50 30.77 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 6.10 0.00 -0.15 0.54 5.75 -1.96 -3.04 115.11 122.34 1itf h GLN 40 Ca 0.55 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 59.09 1itf h GLN 40 Cb 0.66 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 1itf h GLN 40 CO 1.84 0.28 0.12 1.05 -2.65 0.00 0.00 178.83 179.47 1itf h GLU 41 N 0.00 0.00 -0.94 1.69 4.11 -2.01 0.13 114.58 117.56 1itf h GLU 41 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.84 1itf h GLU 41 Cb 1.19 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.15 1itf h GLU 41 CO 0.04 0.00 0.63 -1.91 0.07 0.00 0.00 179.01 177.84 1itf n GLU 42 N -4.32 2.54 0.00 1.06 2.13 -1.15 -4.29 120.64 116.61 1itf n GLU 42 Ca 0.01 -3.24 0.00 0.00 0.66 0.00 0.00 57.16 54.58 1itf n GLU 42 Cb 0.24 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.73 1itf n GLU 42 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1itf n PHE 43 N -1.00 0.00 -0.06 4.31 3.01 0.44 -4.92 117.46 119.24 1itf n PHE 43 Ca 0.59 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 59.01 1itf n PHE 43 Cb 1.05 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.51 1itf n PHE 43 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1itf n GLY 44 N 0.81 -0.90 3.76 1.37 0.00 -1.15 -4.52 105.19 104.56 1itf n GLY 44 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1itf n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itf s ASN 45 N -5.40 7.40 -1.59 1.61 2.20 -1.26 -3.41 114.94 114.49 1itf s ASN 45 Ca -0.12 2.13 -0.03 0.00 -0.94 0.00 0.00 52.86 53.89 1itf s ASN 45 Cb 0.02 -2.62 0.01 0.00 -2.00 0.00 0.00 41.25 36.66 1itf s ASN 45 CO 0.18 -0.03 0.40 0.00 -2.94 0.00 0.00 177.10 174.71 1itf n GLN 46 N 1.26 -3.77 -2.71 3.55 6.02 -1.26 -4.87 117.38 115.59 1itf n GLN 46 Ca -0.01 0.90 -0.05 0.00 -0.01 0.00 0.00 57.00 57.82 1itf n GLN 46 Cb 0.46 -5.69 0.07 0.00 1.02 0.00 0.00 30.24 26.11 1itf n GLN 46 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1itf n PHE 47 N -4.29 -0.28 -4.21 1.08 3.72 -1.22 -4.86 117.46 107.40 1itf n PHE 47 Ca -0.15 -2.24 -0.13 0.00 -0.05 0.00 0.00 57.45 54.88 1itf n PHE 47 Cb 0.63 0.48 -0.10 0.00 -0.94 0.00 0.00 39.48 39.55 1itf n PHE 47 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1itf s GLN 48 N -1.90 0.95 -0.91 -1.08 -0.21 -1.26 -4.05 119.66 111.20 1itf s GLN 48 Ca 0.23 -1.39 -0.05 0.00 0.02 0.00 0.00 55.36 54.17 1itf s GLN 48 Cb 0.41 -0.43 -0.06 0.00 1.00 0.00 0.00 33.01 33.94 1itf s GLN 48 CO -0.04 0.03 0.80 1.63 -2.12 0.00 0.00 175.29 175.59 1itf n LYS 49 N -0.10 -1.92 -2.63 2.91 4.76 -1.26 -4.16 118.16 115.76 1itf n LYS 49 Ca -0.11 0.82 -0.01 0.00 -2.87 0.00 0.00 58.31 56.14 1itf n LYS 49 Cb 0.61 -5.34 0.00 0.00 -1.84 0.00 0.00 35.03 28.46 1itf n LYS 49 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1itf n ALA 50 N -2.92 -2.37 0.00 7.82 0.00 -1.26 -4.78 120.51 116.99 1itf n ALA 50 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1itf n ALA 50 Cb 0.60 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.36 0.00 0.00 0.00 1.02 -1.26 -4.05 120.64 114.99 1itf n GLU 51 Ca 0.02 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.30 1itf n GLU 51 Cb 0.47 -0.07 0.61 0.00 -0.02 0.00 0.00 31.44 32.43 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 -2.35 0.00 -0.19 2.62 -2.24 -1.26 -4.16 114.28 106.71 1itf n THR 52 Ca 0.00 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 1itf n THR 52 Cb 0.00 0.26 0.09 0.00 -2.10 0.00 0.00 70.33 68.58 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 1.72 0.80 -0.12 2.28 2.04 -1.92 0.90 117.51 123.22 1itf h ILE 53 Ca 0.00 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 1itf h ILE 53 Cb 0.39 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1itf h ILE 53 CO 0.00 0.07 -0.33 1.55 0.00 0.00 0.00 178.15 179.45 1itf h PRO 54 N 0.39 0.23 -0.14 2.37 0.13 -1.84 0.93 132.00 134.07 1itf h PRO 54 Ca 0.28 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 65.22 1itf h PRO 54 Cb 0.32 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.43 1itf h PRO 54 CO -0.27 0.54 -0.29 0.28 -0.23 0.00 0.00 178.00 178.02 1itf h VAL 55 N 0.20 1.36 -0.49 1.56 2.07 -1.30 -2.45 116.25 117.22 1itf h VAL 55 Ca 0.03 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 1itf h VAL 55 Cb 0.68 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1itf h VAL 55 CO 0.05 0.46 0.19 -0.07 0.02 0.00 0.00 177.57 178.23 1itf h LEU 56 N 0.06 0.63 0.35 2.57 3.38 0.96 0.71 115.31 123.96 1itf h LEU 56 Ca 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1itf h LEU 56 Cb 0.89 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1itf h LEU 56 CO 0.07 0.58 -0.18 -0.74 0.09 0.00 0.00 178.44 178.25 1itf h HIS 57 N 0.69 -0.46 0.00 1.13 2.76 -0.64 0.24 115.15 118.88 1itf h HIS 57 Ca 0.17 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.29 1itf h HIS 57 Cb 0.15 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1itf h HIS 57 CO 0.01 -0.28 -0.17 0.93 -1.30 0.00 0.00 177.93 177.11 1itf h GLU 58 N -0.48 0.00 -0.21 5.26 5.08 -1.18 -1.97 114.58 121.08 1itf h GLU 58 Ca -0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1itf h GLU 58 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1itf h GLU 58 CO 0.07 0.17 -0.46 1.98 -1.00 0.00 0.00 179.01 179.77 1itf h MET 59 N 0.00 0.54 -0.11 2.33 4.05 -0.06 -1.30 114.93 120.39 1itf h MET 59 Ca -0.00 -0.30 -0.13 0.00 -0.28 0.00 0.00 59.70 58.99 1itf h MET 59 Cb 0.59 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1itf h MET 59 CO 0.02 0.89 -0.50 0.82 0.23 0.00 0.00 176.91 178.37 1itf h ILE 60 N 0.44 1.34 -0.19 1.77 1.08 0.15 -0.72 117.51 121.39 1itf h ILE 60 Ca 0.03 -1.74 -0.12 0.00 -0.39 0.00 0.00 64.86 62.64 1itf h ILE 60 Cb 0.97 1.82 -0.01 0.00 -3.07 0.00 0.00 36.82 36.52 1itf h ILE 60 CO 0.09 0.52 -0.38 -0.61 -0.69 0.00 0.00 178.15 177.07 1itf h GLN 61 N 0.23 0.41 -0.23 2.37 5.75 -1.07 0.44 115.11 123.02 1itf h GLN 61 Ca 0.01 -0.20 -0.16 0.00 -0.15 0.00 0.00 58.65 58.15 1itf h GLN 61 Cb 0.97 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.51 1itf h GLN 61 CO 0.08 0.74 -0.50 1.96 -2.65 0.00 0.00 178.83 178.46 1itf h GLN 62 N 0.35 0.74 0.00 1.69 1.08 -0.87 -1.96 115.11 116.14 1itf h GLN 62 Ca 0.03 -0.49 -0.07 0.00 -1.45 0.00 0.00 58.65 56.67 1itf h GLN 62 Cb 0.83 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 1itf h GLN 62 CO 0.07 1.12 -0.35 0.82 -0.95 0.00 0.00 178.83 179.54 1itf h ILE 63 N 0.47 0.76 -0.14 2.54 2.04 -0.99 0.28 117.51 122.47 1itf h ILE 63 Ca 0.00 -1.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.30 1itf h ILE 63 Cb 1.11 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1itf h ILE 63 CO 0.11 0.34 -0.06 0.15 0.00 0.00 0.00 178.15 178.69 1itf h PHE 64 N 0.00 0.33 0.06 1.37 3.04 0.11 -1.36 116.94 120.49 1itf h PHE 64 Ca -0.00 -0.08 -0.24 0.00 3.98 0.00 0.00 57.97 61.62 1itf h PHE 64 Cb 0.95 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.38 1itf h PHE 64 CO 0.00 0.61 -1.06 -0.97 -2.02 0.00 0.00 178.31 174.86 1itf h ASN 65 N -0.03 0.44 0.10 0.41 -1.24 -1.32 0.33 115.58 114.28 1itf h ASN 65 Ca 0.03 -0.41 -0.02 0.00 0.71 0.00 0.00 56.30 56.62 1itf h ASN 65 Cb 0.51 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 1itf h ASN 65 CO 0.02 1.25 -0.08 0.25 -1.29 0.00 0.00 177.43 177.58 1itf h LEU 66 N 0.14 0.00 0.00 0.34 5.85 -0.92 0.58 115.31 121.30 1itf h LEU 66 Ca -0.10 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1itf h LEU 66 Cb 1.74 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1itf h LEU 66 CO 0.18 0.08 -2.00 0.49 -0.34 0.00 0.00 178.44 176.85 1itf n PHE 67 N -4.27 0.00 0.17 1.25 3.01 -0.52 -4.27 117.46 112.84 1itf n PHE 67 Ca -0.03 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.50 1itf n PHE 67 Cb 0.16 -0.55 0.09 0.00 -0.01 0.00 0.00 39.48 39.17 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 -2.96 4.37 0.87 0.10 -3.26 113.55 112.68 1itf h SER 68 Ca -0.09 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.88 1itf h SER 68 Cb 1.16 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 63.27 1itf h SER 68 CO 0.01 0.27 -0.15 0.35 -0.53 0.00 0.00 176.83 176.78 1itf n THR 69 N -3.16 2.46 0.27 2.23 -2.24 0.16 -4.55 114.28 109.44 1itf n THR 69 Ca 0.03 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1itf n THR 69 Cb 0.64 -0.86 0.73 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.76 0.00 0.00 -0.78 1.79 -1.91 0.21 116.57 116.65 1itf h LYS 70 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1itf h LYS 70 Cb 1.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 1itf h LYS 70 CO 0.51 0.08 0.00 0.38 -1.08 0.00 0.00 179.45 179.35 1itf h ASP 71 N 0.00 0.00 0.00 0.86 3.04 -1.94 -2.87 116.42 115.51 1itf h ASP 71 Ca -0.00 0.00 -0.28 0.00 -3.24 0.00 0.00 57.03 53.51 1itf h ASP 71 Cb 0.19 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.43 1itf h ASP 71 CO 0.01 0.00 -2.06 -1.20 -2.04 0.00 0.00 179.24 173.95 1itf n SER 72 N -2.38 1.61 0.13 4.15 7.64 0.07 -3.47 113.62 121.37 1itf n SER 72 Ca 0.03 -0.03 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1itf n SER 72 Cb 0.33 0.53 0.40 0.00 -1.01 0.00 0.00 64.21 64.46 1itf n SER 72 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1itf h SER 73 N 0.00 0.19 0.78 6.43 0.02 -0.70 -0.59 113.55 119.67 1itf h SER 73 Ca -0.42 -0.04 -0.25 0.00 -0.84 0.00 0.00 61.79 60.25 1itf h SER 73 Cb 1.86 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 64.31 1itf h SER 73 CO -0.00 0.36 -1.31 0.00 -1.14 0.00 0.00 176.83 174.73 1itf h ALA 74 N 1.67 0.54 -0.53 3.77 0.00 -1.71 -3.31 119.26 119.69 1itf h ALA 74 Ca 0.04 -1.15 -0.06 0.00 0.00 0.00 0.00 54.91 53.73 1itf h ALA 74 Cb 0.38 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1itf h ALA 74 CO 0.02 1.40 0.08 0.00 0.00 0.00 0.00 179.25 180.75 1itf h ALA 75 N 1.00 1.14 -1.08 0.00 0.00 -1.38 -3.45 119.26 115.49 1itf h ALA 75 Ca -0.13 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 53.95 1itf h ALA 75 Cb 1.88 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 19.37 1itf h ALA 75 CO 0.11 0.57 -0.45 -1.58 0.00 0.00 0.00 179.25 177.89 1itf s TRP 76 N -5.12 2.20 0.15 0.00 0.52 -0.31 -5.02 118.94 111.37 1itf s TRP 76 Ca -0.10 -0.73 -0.30 0.00 0.02 0.00 0.00 56.10 54.99 1itf s TRP 76 Cb 0.15 -1.87 -0.08 0.00 -1.15 0.00 0.00 33.47 30.52 1itf s TRP 76 CO 0.81 0.03 1.29 -0.51 0.02 0.00 0.00 176.95 178.60 1itf s ASP 77 N -3.99 6.94 0.50 2.95 1.01 -1.26 -4.78 116.67 118.04 1itf s ASP 77 Ca 0.32 2.29 0.24 0.00 0.71 0.00 0.00 52.55 56.10 1itf s ASP 77 Cb 0.02 -2.60 1.33 0.00 1.01 0.00 0.00 42.92 42.68 1itf s ASP 77 CO 0.18 -0.53 2.05 1.05 0.21 0.00 0.00 175.17 178.14 1itf h GLU 78 N 5.99 0.00 0.09 8.23 -0.00 -1.95 0.33 114.58 127.27 1itf h GLU 78 Ca -0.43 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 58.77 1itf h GLU 78 Cb 1.21 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.98 1itf h GLU 78 CO 0.80 0.14 -0.67 1.15 -0.00 0.00 0.00 179.01 180.43 1itf h THR 79 N 0.00 1.51 -0.81 -1.06 2.02 -1.95 0.24 112.91 112.87 1itf h THR 79 Ca -0.00 -2.37 -0.03 0.00 0.77 0.00 0.00 66.41 64.77 1itf h THR 79 Cb 0.32 3.04 -0.04 0.00 -1.74 0.00 0.00 68.15 69.73 1itf h THR 79 CO 0.02 0.67 0.38 -0.07 0.37 0.00 0.00 175.52 176.89 1itf h LEU 80 N -0.35 1.06 -0.73 2.58 3.38 -1.87 -1.27 115.31 118.11 1itf h LEU 80 Ca -0.11 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 1itf h LEU 80 Cb 1.48 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1itf h LEU 80 CO 0.13 0.90 -0.53 -0.07 0.09 0.00 0.00 178.44 178.96 1itf h LEU 81 N 1.16 0.31 -0.09 1.67 3.38 -0.38 -1.46 115.31 119.90 1itf h LEU 81 Ca 0.28 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1itf h LEU 81 Cb 0.13 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1itf h LEU 81 CO -0.03 0.78 -0.12 -0.78 0.09 0.00 0.00 178.44 178.38 1itf h ASP 82 N 0.22 -0.37 -0.22 -0.43 1.82 0.62 0.39 116.42 118.45 1itf h ASP 82 Ca 0.01 0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.65 1itf h ASP 82 Cb 1.01 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 41.18 1itf h ASP 82 CO 0.08 -0.16 -0.07 0.11 -1.61 0.00 0.00 179.24 177.59 1itf h LYS 83 N -0.16 0.58 -0.03 0.28 1.79 -1.26 -1.66 116.57 116.11 1itf h LYS 83 Ca 0.08 -0.16 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 1itf h LYS 83 Cb 0.27 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1itf h LYS 83 CO -0.19 0.65 -0.17 0.35 -1.08 0.00 0.00 179.45 179.02 1itf h PHE 84 N 0.54 0.04 -0.03 -1.35 3.57 -0.03 -0.35 116.94 119.33 1itf h PHE 84 Ca 0.10 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.44 1itf h PHE 84 Cb 0.46 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.20 1itf h PHE 84 CO 0.02 0.21 -0.61 1.88 -2.23 0.00 0.00 178.31 177.57 1itf h TYR 85 N 0.04 0.67 -0.37 0.41 0.05 0.62 -1.79 116.97 116.60 1itf h TYR 85 Ca 0.01 -0.35 -0.06 0.00 0.05 0.00 0.00 58.73 58.38 1itf h TYR 85 Cb 0.32 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 1itf h TYR 85 CO 0.00 1.16 -0.03 1.15 -1.05 0.00 0.00 178.16 179.38 1itf h THR 86 N -0.01 1.22 -0.02 -2.88 2.02 -1.02 -0.43 112.91 111.79 1itf h THR 86 Ca -0.07 -0.92 -0.16 0.00 0.77 0.00 0.00 66.41 66.02 1itf h THR 86 Cb 1.30 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1itf h THR 86 CO 0.12 0.32 -0.72 -0.33 0.37 0.00 0.00 175.52 175.27 1itf h GLU 87 N 0.57 0.15 -0.33 6.66 4.39 -1.09 0.06 114.58 125.00 1itf h GLU 87 Ca 0.11 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 1itf h GLU 87 Cb 0.42 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1itf h GLU 87 CO 0.02 0.81 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.26 1itf h LEU 88 N 0.10 0.87 -0.13 1.33 3.38 -0.73 -1.73 115.31 118.41 1itf h LEU 88 Ca -0.02 -0.47 -0.23 0.00 0.09 0.00 0.00 57.88 57.25 1itf h LEU 88 Cb 1.28 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1itf h LEU 88 CO 0.11 1.17 -1.00 0.22 0.09 0.00 0.00 178.44 179.03 1itf h TYR 89 N 0.59 0.41 -0.18 1.13 3.20 -1.06 -0.95 116.97 120.10 1itf h TYR 89 Ca 0.05 -0.25 -0.02 0.00 3.14 0.00 0.00 58.73 61.65 1itf h TYR 89 Cb 0.93 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1itf h TYR 89 CO 0.07 1.10 0.02 0.37 -1.64 0.00 0.00 178.16 178.08 1itf h GLN 90 N 0.12 0.30 0.00 1.82 5.75 -0.97 1.00 115.11 123.13 1itf h GLN 90 Ca -0.07 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.28 1itf h GLN 90 Cb 1.67 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.17 1itf h GLN 90 CO 0.16 0.48 -0.29 0.37 -2.65 0.00 0.00 178.83 176.90 1itf h GLN 91 N 0.08 0.00 -0.27 1.69 4.15 -1.36 -1.95 115.11 117.45 1itf h GLN 91 Ca 0.05 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.36 1itf h GLN 91 Cb 0.33 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1itf h GLN 91 CO 0.01 0.29 -0.31 -0.07 -1.93 0.00 0.00 178.83 176.82 1itf h LEU 92 N 0.00 0.58 -0.33 -2.39 3.38 -0.49 0.58 115.31 116.63 1itf h LEU 92 Ca -0.00 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1itf h LEU 92 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1itf h LEU 92 CO 0.04 0.86 -0.26 -1.13 0.09 0.00 0.00 178.44 178.04 1itf h ASN 93 N 0.48 0.81 -0.47 -0.43 -1.24 -0.10 -0.52 115.58 114.11 1itf h ASN 93 Ca 0.06 -0.45 -0.10 0.00 0.71 0.00 0.00 56.30 56.52 1itf h ASN 93 Cb 0.78 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 1itf h ASN 93 CO 0.06 1.08 -0.11 -0.78 -1.29 0.00 0.00 177.43 176.40 1itf h ASP 94 N 0.54 0.91 -0.38 1.15 1.82 -1.25 -1.60 116.42 117.62 1itf h ASP 94 Ca 0.06 -0.36 -0.07 0.00 -0.39 0.00 0.00 57.03 56.27 1itf h ASP 94 Cb 0.82 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.56 1itf h ASP 94 CO 0.07 1.06 -0.01 -0.07 -1.61 0.00 0.00 179.24 178.67 1itf h LEU 95 N 0.75 0.74 -0.54 2.28 3.38 -0.80 -2.72 115.31 118.39 1itf h LEU 95 Ca 0.12 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1itf h LEU 95 Cb 0.66 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1itf h LEU 95 CO 0.05 0.81 -0.65 -0.08 0.09 0.00 0.00 178.44 178.66 1itf h GLU 96 N 0.71 0.00 -0.79 1.13 4.57 -0.92 -3.21 114.58 116.07 1itf h GLU 96 Ca 0.14 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.42 1itf h GLU 96 Cb 0.46 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.97 1itf h GLU 96 CO 0.02 0.65 0.43 0.00 -1.18 0.00 0.00 179.01 178.92 1itf h ALA 97 N 1.35 1.13 -0.37 2.92 0.00 -0.96 0.45 119.26 123.79 1itf h ALA 97 Ca -0.01 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1itf h ALA 97 Cb 1.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1itf h ALA 97 CO 0.08 0.02 -0.23 0.00 0.00 0.00 0.00 179.25 179.12 1itf h VAL 99 N 0.64 1.33 0.18 0.00 2.07 -1.06 -3.27 116.25 116.13 1itf h VAL 99 Ca 0.09 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 1itf h VAL 99 Cb 0.73 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1itf h VAL 99 CO 0.06 0.49 -0.09 0.40 0.02 0.00 0.00 177.57 178.45 1itf h ILE 100 N 0.21 0.73 -3.52 4.57 2.04 0.07 -3.46 117.51 118.15 1itf h ILE 100 Ca 0.01 -1.09 -0.41 0.00 1.00 0.00 0.00 64.86 64.37 1itf h ILE 100 Cb 0.90 1.24 0.19 0.00 -0.74 0.00 0.00 36.82 38.41 1itf h ILE 100 CO 0.07 0.19 0.17 -1.10 0.00 0.00 0.00 178.15 177.49 1itf s GLN 101 N -3.28 -1.18 -0.46 2.37 -1.52 -0.54 -4.91 119.66 110.15 1itf s GLN 101 Ca -0.12 -0.21 -0.03 0.00 -1.95 0.00 0.00 55.36 53.05 1itf s GLN 101 Cb 0.00 -1.61 0.13 0.00 -0.22 0.00 0.00 33.01 31.31 1itf s GLN 101 CO 0.43 -3.66 2.54 0.41 -0.25 0.00 0.00 175.29 174.76 1itf n GLY 102 N -1.39 4.43 3.96 3.09 0.00 -1.26 -4.89 105.19 109.13 1itf n GLY 102 Ca 0.15 -1.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.53 2.06 -0.40 1.61 1.01 -1.25 -4.90 120.40 116.00 1itf s VAL 103 Ca 0.53 -0.31 -0.34 0.00 0.00 0.00 0.00 61.98 61.86 1itf s VAL 103 Cb 0.36 -2.75 -0.11 0.00 0.00 0.00 0.00 36.38 33.87 1itf s VAL 103 CO -0.18 0.00 2.24 0.61 0.00 0.00 0.00 175.10 177.77 1itf n GLY 104 N -3.28 0.42 3.15 4.51 0.00 -1.26 -4.90 105.19 103.83 1itf n GLY 104 Ca 0.15 0.92 -0.12 0.00 0.00 0.00 0.00 46.02 46.97 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 7.86 0.07 -0.02 1.61 1.01 -1.26 -4.38 120.40 125.30 1itf s VAL 105 Ca 1.10 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1itf s VAL 105 Cb -0.81 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 1itf s VAL 105 CO 0.47 -0.34 1.78 0.42 0.00 0.00 0.00 175.10 177.43 1itf s THR 106 N -1.36 3.35 -0.01 3.92 -4.23 -1.26 -4.92 115.64 111.13 1itf s THR 106 Ca -0.14 0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.78 1itf s THR 106 Cb -0.07 -3.28 -0.01 0.00 1.34 0.00 0.00 72.50 70.48 1itf s THR 106 CO 0.03 -0.04 0.31 -0.08 -0.54 0.00 0.00 174.62 174.30 1itf h GLU 107 N 9.93 -0.06 -0.32 3.99 4.81 -1.99 -3.44 114.58 127.50 1itf h GLU 107 Ca -0.43 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.57 1itf h GLU 107 Cb 1.20 0.01 -0.28 0.00 0.63 0.00 0.00 28.75 30.32 1itf h GLU 107 CO 0.95 -0.04 -0.73 2.41 -0.73 0.00 0.00 179.01 180.86 1itf n THR 108 N -2.50 0.61 -2.27 0.32 -1.04 -1.26 -5.09 114.28 103.05 1itf n THR 108 Ca -0.01 -2.09 -0.25 0.00 -2.04 0.00 0.00 64.05 59.66 1itf n THR 108 Cb 0.03 1.05 0.07 0.00 -1.82 0.00 0.00 70.33 69.66 1itf n THR 108 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1itf s PRO 109 N -1.78 2.19 0.22 -2.82 0.04 -1.26 -4.99 135.00 126.60 1itf s PRO 109 Ca 0.20 -0.36 0.05 0.00 0.04 0.00 0.00 61.00 60.93 1itf s PRO 109 Cb 0.40 -2.21 0.19 0.00 0.04 0.00 0.00 34.50 32.92 1itf s PRO 109 CO -0.06 -1.20 1.52 1.25 0.04 0.00 0.00 177.00 178.54 1itf h LEU 110 N -0.53 0.22 0.00 -3.56 7.12 -2.02 -2.70 115.31 113.84 1itf h LEU 110 Ca -0.44 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.43 1itf h LEU 110 Cb 1.31 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1itf h LEU 110 CO 0.58 0.83 0.00 1.15 -0.13 0.00 0.00 178.44 180.87 1itf n MET 111 N -3.80 0.11 0.08 1.25 0.00 -1.26 -2.30 117.12 111.21 1itf n MET 111 Ca -0.02 0.20 -0.13 0.00 0.00 0.00 0.00 57.70 57.74 1itf n MET 111 Cb 0.67 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 32.32 1itf n MET 111 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1itf h LYS 112 N 0.00 -0.56 0.00 3.17 3.64 -1.86 -3.12 116.57 117.84 1itf h LYS 112 Ca 0.00 0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.19 1itf h LYS 112 Cb 0.18 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1itf h LYS 112 CO 0.00 -0.37 -1.86 -1.91 -2.27 0.00 0.00 179.45 173.04 1itf n GLU 113 N -5.45 1.91 -0.30 1.90 2.13 -1.23 -4.54 120.64 115.07 1itf n GLU 113 Ca -0.06 -0.01 0.17 0.00 0.66 0.00 0.00 57.16 57.93 1itf n GLU 113 Cb 0.36 -1.32 0.44 0.00 0.27 0.00 0.00 31.44 31.19 1itf n GLU 113 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1itf h ASP 114 N 0.00 0.56 -0.03 4.31 3.58 -1.57 0.82 116.42 124.09 1itf h ASP 114 Ca -0.33 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 1itf h ASP 114 Cb 1.75 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.77 1itf h ASP 114 CO 0.02 0.19 0.02 0.77 -2.88 0.00 0.00 179.24 177.36 1itf h SER 115 N 0.54 0.04 0.43 2.28 4.64 -1.78 0.13 113.55 119.83 1itf h SER 115 Ca 0.54 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.73 1itf h SER 115 Cb 1.14 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1itf h SER 115 CO -0.28 0.09 -0.32 0.40 -0.87 0.00 0.00 176.83 175.85 1itf h ILE 116 N -0.01 1.08 -0.18 0.95 2.04 -1.11 -1.57 117.51 118.71 1itf h ILE 116 Ca 0.01 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.66 1itf h ILE 116 Cb 0.05 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1itf h ILE 116 CO -0.00 0.31 -0.22 -0.07 0.00 0.00 0.00 178.15 178.17 1itf h LEU 117 N 0.00 0.31 -0.27 1.44 3.38 0.15 0.35 115.31 120.68 1itf h LEU 117 Ca -0.00 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1itf h LEU 117 Cb 0.62 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1itf h LEU 117 CO 0.04 0.55 -0.10 0.00 0.09 0.00 0.00 178.44 179.02 1itf h ALA 118 N 1.48 0.38 0.00 1.53 0.00 0.21 -1.41 119.26 121.44 1itf h ALA 118 Ca 0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1itf h ALA 118 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1itf h ALA 118 CO 0.04 0.22 -0.23 0.28 0.00 0.00 0.00 179.25 179.55 1itf h VAL 119 N 0.29 0.69 -0.26 0.00 2.07 -0.97 -2.15 116.25 115.91 1itf h VAL 119 Ca 0.06 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 1itf h VAL 119 Cb 0.60 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1itf h VAL 119 CO 0.03 0.23 -0.21 0.03 0.02 0.00 0.00 177.57 177.67 1itf h ARG 120 N 0.00 0.60 -0.04 1.57 3.08 0.24 -0.64 114.38 119.19 1itf h ARG 120 Ca -0.00 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.64 1itf h ARG 120 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1itf h ARG 120 CO 0.03 0.89 -0.47 1.57 -1.07 0.00 0.00 179.97 180.92 1itf h LYS 121 N 0.32 0.10 0.12 0.04 2.10 -1.09 0.22 116.57 118.40 1itf h LYS 121 Ca 0.05 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1itf h LYS 121 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1itf h LYS 121 CO 0.05 0.56 -0.06 -0.92 -2.00 0.00 0.00 179.45 177.08 1itf h TYR 122 N 0.09 -0.15 0.00 0.07 3.20 -1.22 -2.14 116.97 116.82 1itf h TYR 122 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1itf h TYR 122 Cb 0.87 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1itf h TYR 122 CO 0.01 0.16 -0.19 0.74 -1.64 0.00 0.00 178.16 177.24 1itf h PHE 123 N -0.47 0.00 -0.61 -3.82 -1.00 -1.02 -2.15 116.94 107.88 1itf h PHE 123 Ca -0.02 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.71 1itf h PHE 123 Cb 0.38 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.91 1itf h PHE 123 CO 0.02 0.19 0.17 0.37 -1.61 0.00 0.00 178.31 177.46 1itf h GLN 124 N 0.00 0.95 -0.20 1.51 4.15 -0.26 0.62 115.11 121.88 1itf h GLN 124 Ca -0.00 -0.21 -0.12 0.00 0.77 0.00 0.00 58.65 59.08 1itf h GLN 124 Cb 0.57 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1itf h GLN 124 CO 0.02 0.86 -0.40 -0.09 -1.93 0.00 0.00 178.83 177.29 1itf h ARG 125 N 0.87 0.46 -0.39 1.69 2.43 -0.90 -2.03 114.38 116.50 1itf h ARG 125 Ca 0.19 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1itf h ARG 125 Cb 0.31 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1itf h ARG 125 CO -0.00 0.78 -0.10 0.82 -1.51 0.00 0.00 179.97 179.96 1itf h ILE 126 N 0.38 1.25 -0.34 1.20 2.04 -0.78 0.15 117.51 121.40 1itf h ILE 126 Ca 0.03 -1.11 -0.10 0.00 1.00 0.00 0.00 64.86 64.69 1itf h ILE 126 Cb 0.87 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1itf h ILE 126 CO 0.07 0.38 -0.16 0.74 0.00 0.00 0.00 178.15 179.18 1itf h THR 127 N 0.63 1.29 -0.08 -0.27 2.02 -0.59 -2.17 112.91 113.74 1itf h THR 127 Ca 0.11 -1.27 -0.11 0.00 0.77 0.00 0.00 66.41 65.91 1itf h THR 127 Cb 0.55 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1itf h THR 127 CO 0.03 0.42 -0.44 0.25 0.37 0.00 0.00 175.52 176.15 1itf h LEU 128 N 0.50 0.18 -0.55 2.58 7.12 -1.15 -2.05 115.31 121.94 1itf h LEU 128 Ca 0.08 -0.08 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1itf h LEU 128 Cb 0.69 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.75 1itf h LEU 128 CO 0.05 0.60 0.24 0.22 -0.13 0.00 0.00 178.44 179.42 1itf h TYR 129 N 0.14 0.82 -0.42 1.25 5.03 -0.47 0.19 116.97 123.50 1itf h TYR 129 Ca 0.01 -0.05 -0.10 0.00 2.58 0.00 0.00 58.73 61.17 1itf h TYR 129 Cb 0.83 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.85 1itf h TYR 129 CO 0.01 0.65 -0.15 -0.07 -1.32 0.00 0.00 178.16 177.28 1itf h LEU 130 N 0.75 0.79 -1.09 2.82 3.38 -1.18 -1.83 115.31 118.95 1itf h LEU 130 Ca 0.19 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1itf h LEU 130 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1itf h LEU 130 CO -0.02 0.95 -0.45 0.11 0.09 0.00 0.00 178.44 179.12 1itf h LYS 131 N 0.71 0.00 0.01 1.13 1.79 -0.84 0.48 116.57 119.84 1itf h LYS 131 Ca 0.11 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1itf h LYS 131 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1itf h LYS 131 CO 0.05 0.45 -0.00 1.49 -1.08 0.00 0.00 179.45 180.35 1itf h GLU 132 N 0.00 -0.01 -0.02 3.15 4.81 -0.17 -2.90 114.58 119.44 1itf h GLU 132 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1itf h GLU 132 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1itf h GLU 132 CO 0.06 0.54 0.00 1.63 -0.73 0.00 0.00 179.01 180.51 1itf n LYS 133 N -4.83 1.09 -3.74 1.92 4.01 -0.73 -4.89 118.16 111.00 1itf n LYS 133 Ca -0.09 -0.14 -0.25 0.00 -0.51 0.00 0.00 58.31 57.33 1itf n LYS 133 Cb 0.28 -1.33 0.04 0.00 -0.51 0.00 0.00 35.03 33.51 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 -0.67 -5.79 -3.40 1.97 5.02 0.28 -2.27 118.16 113.30 1itf n LYS 134 Ca 0.15 0.67 -0.17 0.00 -2.02 0.00 0.00 58.31 56.94 1itf n LYS 134 Cb 0.10 -5.47 0.08 0.00 -0.02 0.00 0.00 35.03 29.72 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 -4.52 -2.25 -1.64 2.13 4.01 0.14 -4.98 117.16 110.06 1itf n TYR 135 Ca -0.13 0.89 -0.31 0.00 -0.16 0.00 0.00 57.90 58.20 1itf n TYR 135 Cb 0.60 -4.66 0.05 0.00 -0.31 0.00 0.00 39.34 35.02 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 -4.02 5.36 0.10 7.72 0.01 -0.96 -4.90 113.70 117.01 1itf s SER 136 Ca 0.17 1.50 -0.14 0.00 1.31 0.00 0.00 55.95 58.78 1itf s SER 136 Cb -0.02 -2.37 -0.09 0.00 0.21 0.00 0.00 66.02 63.74 1itf s SER 136 CO 0.74 -1.44 1.40 1.55 0.41 0.00 0.00 173.24 175.90 1itf h PRO 137 N -0.72 0.75 -0.18 12.44 0.13 -1.93 -1.16 132.00 141.32 1itf h PRO 137 Ca -0.44 -0.43 -0.13 0.00 -0.87 0.00 0.00 66.00 64.12 1itf h PRO 137 Cb 1.22 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1itf h PRO 137 CO 0.59 1.06 -0.45 0.00 -0.23 0.00 0.00 178.00 178.96 1itf h ALA 139 N 1.14 1.03 -0.14 0.00 0.00 -1.84 -0.70 119.26 118.74 1itf h ALA 139 Ca 0.02 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1itf h ALA 139 Cb 0.94 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1itf h ALA 139 CO 0.08 0.60 -0.50 -1.49 0.00 0.00 0.00 179.25 177.94 1itf h TRP 140 N 0.76 0.47 -0.36 0.00 4.06 -0.95 -0.59 115.95 119.34 1itf h TRP 140 Ca 0.14 -0.16 -0.09 0.00 2.06 0.00 0.00 58.89 60.85 1itf h TRP 140 Cb 0.52 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 1itf h TRP 140 CO 0.03 0.81 -0.11 1.49 -3.56 0.00 0.00 178.44 177.10 1itf h GLU 141 N 0.30 0.71 -0.80 0.49 4.22 -0.91 0.39 114.58 118.99 1itf h GLU 141 Ca 0.01 -0.28 -0.02 0.00 0.08 0.00 0.00 59.36 59.15 1itf h GLU 141 Cb 0.99 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1itf h GLU 141 CO 0.09 0.88 0.42 0.28 -2.18 0.00 0.00 179.01 178.50 1itf h VAL 142 N 0.50 1.24 0.00 0.32 2.07 -0.98 -1.03 116.25 118.37 1itf h VAL 142 Ca 0.09 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 1itf h VAL 142 Cb 0.63 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1itf h VAL 142 CO 0.04 0.28 -0.34 0.58 0.02 0.00 0.00 177.57 178.15 1itf h VAL 143 N 1.12 0.81 0.08 2.57 2.07 -0.83 -0.70 116.25 121.38 1itf h VAL 143 Ca 0.28 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1itf h VAL 143 Cb 0.06 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1itf h VAL 143 CO -0.04 0.33 -0.04 -0.09 0.02 0.00 0.00 177.57 177.75 1itf h ARG 144 N 0.00 -0.11 -0.13 1.57 1.12 0.10 0.19 114.38 117.13 1itf h ARG 144 Ca -0.00 0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 58.78 1itf h ARG 144 Cb 0.86 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.83 1itf h ARG 144 CO 0.04 0.17 -0.36 0.00 -3.11 0.00 0.00 179.97 176.72 1itf h ALA 145 N 0.50 1.16 -0.09 2.80 0.00 -1.21 -1.13 119.26 121.29 1itf h ALA 145 Ca -0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 1itf h ALA 145 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1itf h ALA 145 CO 0.02 0.55 -0.61 0.93 0.00 0.00 0.00 179.25 180.14 1itf h GLU 146 N 0.23 0.33 0.01 0.00 4.39 -0.95 0.03 114.58 118.61 1itf h GLU 146 Ca 0.03 -0.23 -0.23 0.00 0.34 0.00 0.00 59.36 59.27 1itf h GLU 146 Cb 0.74 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1itf h GLU 146 CO 0.06 0.84 -0.96 0.82 -1.16 0.00 0.00 179.01 178.60 1itf h ILE 147 N 0.24 1.40 -0.02 3.13 1.08 -0.36 -0.65 117.51 122.33 1itf h ILE 147 Ca -0.01 -2.48 -0.19 0.00 -0.39 0.00 0.00 64.86 61.80 1itf h ILE 147 Cb 1.14 2.45 -0.01 0.00 -3.07 0.00 0.00 36.82 37.33 1itf h ILE 147 CO 0.10 0.74 -0.82 -0.03 -0.69 0.00 0.00 178.15 177.45 1itf h MET 148 N 0.23 0.28 -0.08 2.37 1.85 -1.16 0.19 114.93 118.60 1itf h MET 148 Ca -0.08 -0.27 -0.14 0.00 -0.61 0.00 0.00 59.70 58.60 1itf h MET 148 Cb 1.60 0.07 0.01 0.00 0.43 0.00 0.00 31.60 33.71 1itf h MET 148 CO 0.17 0.95 -0.50 -0.09 -0.40 0.00 0.00 176.91 177.04 1itf h ARG 149 N 0.17 0.48 -0.18 0.39 1.12 -0.99 -0.52 114.38 114.86 1itf h ARG 149 Ca -0.04 -0.41 -0.07 0.00 -1.11 0.00 0.00 59.98 58.35 1itf h ARG 149 Cb 1.42 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 31.46 1itf h ARG 149 CO 0.13 1.05 -0.18 0.66 -3.11 0.00 0.00 179.97 178.52 1itf h SER 150 N 0.05 0.29 -0.20 -3.80 4.64 -1.13 -0.05 113.55 113.35 1itf h SER 150 Ca -0.04 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.12 1itf h SER 150 Cb 1.16 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1itf h SER 150 CO 0.10 0.49 -0.20 0.15 -0.87 0.00 0.00 176.83 176.51 1itf h PHE 151 N 0.28 0.59 -0.54 4.77 3.04 -0.86 -0.99 116.94 123.23 1itf h PHE 151 Ca 0.05 -0.17 -0.04 0.00 3.98 0.00 0.00 57.97 61.79 1itf h PHE 151 Cb 0.48 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.85 1itf h PHE 151 CO 0.01 0.84 0.18 1.03 -2.02 0.00 0.00 178.31 178.35 1itf h SER 152 N 0.17 0.73 -0.00 0.41 0.87 -0.73 -0.52 113.55 114.47 1itf h SER 152 Ca 0.03 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1itf h SER 152 Cb 0.74 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1itf h SER 152 CO 0.05 0.68 0.00 -0.07 -0.53 0.00 0.00 176.83 176.96 1itf h LEU 153 N 0.78 0.00 -0.96 2.23 3.38 -0.85 0.50 115.31 120.40 1itf h LEU 153 Ca 0.18 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1itf h LEU 153 Cb 0.21 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1itf h LEU 153 CO -0.01 0.25 0.63 0.77 0.09 0.00 0.00 178.44 180.16 1itf h SER 154 N -0.24 1.11 -0.06 -0.43 4.64 -0.87 -2.43 113.55 115.26 1itf h SER 154 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1itf h SER 154 Cb 0.25 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1itf h SER 154 CO 0.00 0.81 0.00 0.35 -0.87 0.00 0.00 176.83 177.12 1itf n THR 155 N -4.41 0.06 0.28 2.95 -2.24 -0.23 -3.96 114.28 106.73 1itf n THR 155 Ca 0.11 -0.37 0.15 0.00 -2.27 0.00 0.00 64.05 61.67 1itf n THR 155 Cb 0.02 0.82 0.75 0.00 -2.10 0.00 0.00 70.33 69.81 1itf n THR 155 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1itf h ASN 156 N 3.19 0.00 0.87 3.42 -1.24 0.54 -0.94 115.58 121.42 1itf h ASN 156 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1itf h ASN 156 Cb 0.68 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.73 1itf h ASN 156 CO 0.00 0.00 -0.03 -0.07 -1.29 0.00 0.00 177.43 176.04 1itf h LEU 157 N 0.00 0.00 -1.99 0.34 -0.00 -1.74 -2.09 115.31 109.83 1itf h LEU 157 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1itf h LEU 157 Cb 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1itf h LEU 157 CO 0.00 0.03 -0.00 1.56 -0.00 0.00 0.00 178.44 180.03 1itf h GLN 158 N 0.00 0.00 -0.01 1.13 1.08 -1.47 -1.65 115.11 114.20 1itf h GLN 158 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1itf h GLN 158 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1itf h GLN 158 CO 0.00 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.27 1itf n GLU 159 N -3.09 1.17 -1.78 1.46 1.02 -0.79 -4.52 120.64 114.12 1itf n GLU 159 Ca -0.01 -0.25 -0.42 0.00 -0.02 0.00 0.00 57.16 56.47 1itf n GLU 159 Cb 0.22 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1itf n GLU 159 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1itf n SER 160 N -0.67 3.75 -2.84 1.62 3.41 -0.62 -4.94 113.62 113.32 1itf n SER 160 Ca 0.22 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 1itf n SER 160 Cb 0.17 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.54 1itf n SER 160 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1itf n LEU 161 N 7.19 0.00 -2.76 1.04 4.32 -1.26 -4.87 117.00 120.65 1itf n LEU 161 Ca 0.51 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 56.19 1itf n LEU 161 Cb 0.41 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.17 1itf n LEU 161 CO 0.89 -0.76 1.77 0.54 -1.22 0.00 0.00 177.39 178.62 1itf n ARG 162 N -1.00 2.99 -1.48 3.23 1.74 -1.26 -4.67 116.66 116.20 1itf n ARG 162 Ca 0.00 -2.70 -0.30 0.00 -0.77 0.00 0.00 57.85 54.08 1itf n ARG 162 Cb 0.00 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.17 1itf n ARG 162 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1itf n SER 163 N 0.99 6.91 -2.71 0.55 7.64 -1.26 -4.21 113.62 121.53 1itf n SER 163 Ca 0.52 -3.42 -0.03 0.00 1.01 0.00 0.00 58.87 56.95 1itf n SER 163 Cb 0.46 -1.13 0.10 0.00 -1.01 0.00 0.00 64.21 62.64 1itf n SER 163 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1itf n LYS 164 N 0.20 1.42 0.00 1.43 2.85 -1.26 -5.24 118.16 117.55 1itf n LYS 164 Ca 0.49 -1.94 0.06 0.00 -1.05 0.00 0.00 58.31 55.87 1itf n LYS 164 Cb 0.49 -0.20 0.05 0.00 -0.65 0.00 0.00 35.03 34.71 1itf n LYS 164 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44