#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itf n ASP 2 N 0.00 5.95 0.06 0.00 5.75 -1.26 -4.35 116.55 122.70 1itf n ASP 2 Ca 0.00 -3.09 0.00 0.00 -0.01 0.00 0.00 54.79 51.69 1itf n ASP 2 Cb 0.00 -1.45 0.00 0.00 -1.03 0.00 0.00 41.12 38.64 1itf n ASP 2 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1itf n LEU 3 N 3.35 -0.06 -4.88 -2.12 4.77 -1.26 -5.11 117.00 111.68 1itf n LEU 3 Ca 0.47 0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 56.35 1itf n LEU 3 Cb 0.33 0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1itf n LEU 3 CO 0.79 -0.62 0.38 -2.16 -1.33 0.00 0.00 177.39 174.45 1itf s PRO 4 N -1.39 3.75 -0.48 3.23 0.04 -1.26 -5.02 135.00 133.87 1itf s PRO 4 Ca 0.00 0.36 0.05 0.00 0.04 0.00 0.00 61.00 61.45 1itf s PRO 4 Cb 0.00 -2.46 0.40 0.00 0.04 0.00 0.00 34.50 32.48 1itf s PRO 4 CO 0.00 0.04 1.06 1.04 0.04 0.00 0.00 177.00 179.18 1itf n GLN 5 N -1.15 3.32 -2.73 4.56 6.02 -1.26 -4.75 117.38 121.39 1itf n GLN 5 Ca 0.01 -4.58 -0.09 0.00 -0.01 0.00 0.00 57.00 52.33 1itf n GLN 5 Cb 0.54 -2.22 0.07 0.00 1.02 0.00 0.00 30.24 29.64 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 -0.40 0.36 -2.32 5.09 -2.24 -1.26 -5.14 114.28 108.37 1itf n THR 6 Ca 0.36 -2.37 -0.26 0.00 -2.27 0.00 0.00 64.05 59.51 1itf n THR 6 Cb 0.59 0.81 0.11 0.00 -2.10 0.00 0.00 70.33 69.74 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 -1.29 2.00 0.00 4.78 3.76 -1.26 -5.05 115.29 118.22 1itf s HIS 7 Ca 0.26 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 1itf s HIS 7 Cb 0.41 -3.33 0.00 0.00 1.11 0.00 0.00 32.58 30.76 1itf s HIS 7 CO -0.04 -1.84 0.00 0.45 -0.85 0.00 0.00 174.74 172.46 1itf n SER 8 N -3.08 0.00 -4.58 1.40 2.88 -1.26 -5.09 113.62 103.89 1itf n SER 8 Ca 0.13 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.25 1itf n SER 8 Cb 0.60 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 1itf n SER 8 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1itf s LEU 9 N 0.00 3.44 -0.11 2.46 2.96 -1.26 -4.77 118.68 121.41 1itf s LEU 9 Ca 0.00 0.83 0.11 0.00 -0.22 0.00 0.00 54.13 54.85 1itf s LEU 9 Cb 0.00 -3.16 -0.15 0.00 0.50 0.00 0.00 46.19 43.38 1itf s LEU 9 CO 0.00 -1.88 0.07 0.61 -1.32 0.00 0.00 176.35 173.82 1itf n GLY 10 N 5.44 -0.58 0.16 7.98 0.00 -1.26 -4.16 105.19 112.78 1itf n GLY 10 Ca 0.20 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.46 -0.20 1.61 4.64 -1.93 0.26 113.55 118.39 1itf h SER 11 Ca -0.29 -0.26 -0.08 0.00 -0.47 0.00 0.00 61.79 60.69 1itf h SER 11 Cb 1.60 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.55 1itf h SER 11 CO 0.02 0.61 -0.13 -0.09 -0.87 0.00 0.00 176.83 176.36 1itf h ARG 12 N 0.29 0.60 -0.13 4.77 9.65 -1.98 -0.59 114.38 126.99 1itf h ARG 12 Ca 0.09 -0.19 -0.13 0.00 -1.10 0.00 0.00 59.98 58.65 1itf h ARG 12 Cb 0.35 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 1itf h ARG 12 CO 0.01 0.72 -0.48 0.00 2.80 0.00 0.00 179.97 183.01 1itf h ARG 13 N 0.55 0.33 -0.35 0.20 2.47 -1.65 0.09 114.38 116.01 1itf h ARG 13 Ca 0.10 -0.19 -0.13 0.00 -1.26 0.00 0.00 59.98 58.50 1itf h ARG 13 Cb 0.55 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1itf h ARG 13 CO 0.03 0.75 -0.29 1.15 0.56 0.00 0.00 179.97 182.17 1itf h THR 14 N 0.27 1.28 -0.11 2.04 2.02 0.05 -1.90 112.91 116.56 1itf h THR 14 Ca 0.01 -1.45 -0.13 0.00 0.77 0.00 0.00 66.41 65.61 1itf h THR 14 Cb 0.95 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1itf h THR 14 CO 0.08 0.48 -0.51 -0.07 0.37 0.00 0.00 175.52 175.87 1itf h LEU 15 N 0.61 0.34 -0.88 2.58 3.38 -0.95 -2.38 115.31 118.01 1itf h LEU 15 Ca 0.06 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1itf h LEU 15 Cb 0.87 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1itf h LEU 15 CO 0.08 0.79 -0.52 0.00 0.09 0.00 0.00 178.44 178.87 1itf h MET 16 N 0.24 0.10 -0.56 1.13 -0.00 -0.87 -1.58 114.93 113.40 1itf h MET 16 Ca 0.01 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.70 59.62 1itf h MET 16 Cb 0.98 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.56 1itf h MET 16 CO 0.08 0.60 0.25 -0.07 -0.00 0.00 0.00 176.91 177.78 1itf h LEU 17 N 0.08 0.74 -0.71 -0.10 3.38 -1.03 -1.82 115.31 115.86 1itf h LEU 17 Ca -0.00 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1itf h LEU 17 Cb 0.95 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1itf h LEU 17 CO 0.07 0.68 0.45 -0.07 0.09 0.00 0.00 178.44 179.66 1itf h LEU 18 N 0.76 0.74 -0.68 1.67 3.38 -0.95 0.16 115.31 120.38 1itf h LEU 18 Ca 0.19 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1itf h LEU 18 Cb 0.15 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1itf h LEU 18 CO -0.02 0.51 0.34 0.00 0.09 0.00 0.00 178.44 179.36 1itf h ALA 19 N 1.30 0.92 0.00 1.53 0.00 -0.58 0.93 119.26 123.36 1itf h ALA 19 Ca 0.28 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1itf h ALA 19 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1itf h ALA 19 CO -0.10 -0.05 -0.52 1.96 0.00 0.00 0.00 179.25 180.54 1itf h GLN 20 N 0.59 0.00 0.00 0.00 4.20 -0.53 -2.81 115.11 116.56 1itf h GLN 20 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1itf h GLN 20 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1itf h GLN 20 CO -0.25 0.52 0.00 0.52 -0.67 0.00 0.00 178.83 178.95 1itf h MET 21 N 0.00 0.00 -6.41 1.46 2.86 0.16 -3.42 114.93 109.58 1itf h MET 21 Ca -0.01 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.06 1itf h MET 21 Cb 0.94 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 1itf h MET 21 CO 0.07 0.00 1.16 0.50 1.06 0.00 0.00 176.91 179.70 1itf s ARG 22 N -3.48 3.48 -0.10 1.72 3.52 -0.18 -4.83 118.95 119.09 1itf s ARG 22 Ca 0.04 1.18 -0.01 0.00 -0.13 0.00 0.00 55.73 56.81 1itf s ARG 22 Cb 0.08 -4.10 -0.25 0.00 -1.56 0.00 0.00 34.95 29.12 1itf s ARG 22 CO 0.57 -1.68 0.45 1.63 -0.81 0.00 0.00 175.30 175.47 1itf n LYS 23 N 8.21 0.72 -4.16 5.12 4.01 -1.26 -4.95 118.16 125.86 1itf n LYS 23 Ca 0.19 0.27 -0.22 0.00 -0.51 0.00 0.00 58.31 58.04 1itf n LYS 23 Cb 0.47 -1.73 -0.06 0.00 -0.51 0.00 0.00 35.03 33.20 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 -2.57 3.70 0.26 -0.18 -4.36 -1.26 -5.11 121.20 111.68 1itf s ILE 24 Ca -0.17 -1.66 -0.23 0.00 -0.26 0.00 0.00 60.65 58.33 1itf s ILE 24 Cb 0.07 -3.08 -0.09 0.00 1.25 0.00 0.00 42.46 40.61 1itf s ILE 24 CO 0.79 -0.31 0.83 -0.44 0.24 0.00 0.00 174.94 176.04 1itf s SER 25 N -3.79 7.21 0.34 4.36 0.01 -1.26 -4.96 113.70 115.62 1itf s SER 25 Ca 0.34 1.62 0.03 0.00 1.31 0.00 0.00 55.95 59.25 1itf s SER 25 Cb -0.06 -2.50 0.61 0.00 0.21 0.00 0.00 66.02 64.29 1itf s SER 25 CO 0.23 0.00 1.93 0.25 0.41 0.00 0.00 173.24 176.05 1itf h LEU 26 N 3.38 0.59 -0.68 2.44 5.85 -1.92 -0.98 115.31 124.00 1itf h LEU 26 Ca -0.47 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.08 1itf h LEU 26 Cb 1.19 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1itf h LEU 26 CO 0.65 0.56 -0.02 -0.26 -0.34 0.00 0.00 178.44 179.03 1itf h PHE 27 N 0.65 1.10 -0.99 1.25 -1.00 -1.95 0.80 116.94 116.79 1itf h PHE 27 Ca 0.15 -0.19 0.02 0.00 2.81 0.00 0.00 57.97 60.77 1itf h PHE 27 Cb 0.16 -0.29 -0.05 0.00 3.61 0.00 0.00 35.95 39.38 1itf h PHE 27 CO 0.01 0.98 0.65 0.77 -1.61 0.00 0.00 178.31 179.11 1itf h SER 28 N 0.92 1.11 -1.78 2.17 0.02 -1.70 -2.20 113.55 112.10 1itf h SER 28 Ca 0.16 -0.02 -0.67 0.00 -0.84 0.00 0.00 61.79 60.43 1itf h SER 28 Cb 0.56 -0.27 -0.36 0.00 0.14 0.00 0.00 62.40 62.47 1itf h SER 28 CO 0.03 0.79 0.02 0.00 -1.14 0.00 0.00 176.83 176.53 1itf n LEU 30 N -0.47 2.90 0.07 0.00 -0.00 0.27 -4.26 117.00 115.50 1itf n LEU 30 Ca 0.44 -1.80 -0.13 0.00 -0.00 0.00 0.00 56.01 54.52 1itf n LEU 30 Cb 0.47 -0.22 -0.14 0.00 -0.00 0.00 0.00 43.42 43.53 1itf n LEU 30 CO 0.41 0.70 -0.16 0.50 -0.00 0.00 0.00 177.39 178.84 1itf h LYS 31 N 2.45 0.17 -0.63 1.47 3.64 -1.83 -3.25 116.57 118.59 1itf h LYS 31 Ca 0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1itf h LYS 31 Cb 0.73 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1itf h LYS 31 CO 0.00 1.05 0.00 -0.40 -2.27 0.00 0.00 179.45 177.83 1itf n ASP 32 N -3.41 5.23 -4.84 4.20 5.75 -1.26 -4.98 116.55 117.24 1itf n ASP 32 Ca -0.10 -2.67 -0.32 0.00 -0.01 0.00 0.00 54.79 51.69 1itf n ASP 32 Cb 1.01 -0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 40.41 1itf n ASP 32 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1itf s ARG 33 N -2.27 4.06 0.00 0.11 1.70 -1.23 -4.91 118.95 116.41 1itf s ARG 33 Ca 0.53 0.90 0.00 0.00 -0.47 0.00 0.00 55.73 56.69 1itf s ARG 33 Cb 0.37 -2.26 0.00 0.00 -0.57 0.00 0.00 34.95 32.49 1itf s ARG 33 CO 0.21 -0.04 0.00 -2.39 -1.08 0.00 0.00 175.30 172.00 1itf n HIS 34 N -0.85 0.00 -2.68 5.89 1.44 -1.26 -5.08 115.22 112.68 1itf n HIS 34 Ca 0.06 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.34 1itf n HIS 34 Cb 0.54 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.62 1itf n HIS 34 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1itf s ASP 35 N 0.00 7.28 0.20 4.39 2.15 -1.26 -4.93 116.67 124.50 1itf s ASP 35 Ca 0.00 1.59 -0.02 0.00 0.43 0.00 0.00 52.55 54.55 1itf s ASP 35 Cb 0.00 -2.56 0.14 0.00 -0.30 0.00 0.00 42.92 40.20 1itf s ASP 35 CO 0.00 -0.39 1.52 -0.26 -0.17 0.00 0.00 175.17 175.87 1itf h PHE 36 N 7.01 0.67 0.00 -5.34 0.04 -1.98 -3.47 116.94 113.88 1itf h PHE 36 Ca -0.35 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.19 1itf h PHE 36 Cb 1.17 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1itf h PHE 36 CO 0.70 0.95 0.00 0.41 -0.60 0.00 0.00 178.31 179.77 1itf n GLY 37 N 0.20 0.23 3.69 -1.45 0.00 -1.26 -5.02 105.19 101.57 1itf n GLY 37 Ca -0.03 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 2.69 -1.42 1.61 5.36 -1.26 -4.72 117.98 120.24 1itf s PHE 38 Ca 0.00 0.64 -0.13 0.00 -0.96 0.00 0.00 56.93 56.48 1itf s PHE 38 Cb 0.00 -3.76 -0.02 0.00 -0.34 0.00 0.00 43.02 38.89 1itf s PHE 38 CO 0.00 -2.93 2.42 -0.35 -1.46 0.00 0.00 175.22 172.90 1itf n PRO 39 N 5.52 2.95 0.27 10.12 -0.04 -1.26 -4.63 135.00 147.92 1itf n PRO 39 Ca 0.14 -2.35 0.16 0.00 -0.04 0.00 0.00 63.50 61.41 1itf n PRO 39 Cb 0.43 -3.06 0.64 0.00 -0.04 0.00 0.00 33.50 31.47 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 5.89 0.00 -0.12 0.54 -0.00 -1.95 -2.11 115.11 117.35 1itf h GLN 40 Ca 0.65 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 59.30 1itf h GLN 40 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 1itf h GLN 40 CO 1.84 0.05 0.08 1.49 0.00 0.00 0.00 178.83 182.29 1itf h GLU 41 N 0.00 0.13 -0.79 1.69 4.57 -1.99 0.53 114.58 118.72 1itf h GLU 41 Ca -0.00 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 1itf h GLU 41 Cb 0.55 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.06 1itf h GLU 41 CO 0.01 0.09 0.10 -1.91 -1.18 0.00 0.00 179.01 176.11 1itf n GLU 42 N -4.52 3.17 -0.69 1.92 2.13 -0.79 -3.81 120.64 118.04 1itf n GLU 42 Ca -0.01 -2.05 0.03 0.00 0.66 0.00 0.00 57.16 55.79 1itf n GLU 42 Cb 0.10 -1.95 0.04 0.00 0.27 0.00 0.00 31.44 29.89 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 0.18 0.00 0.04 4.31 3.72 0.18 -4.91 117.46 120.99 1itf n PHE 43 Ca 0.23 -0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1itf n PHE 43 Cb 0.97 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 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 -0.14 -0.15 3.86 1.37 0.00 -1.11 -4.56 105.19 104.46 1itf n GLY 44 Ca 0.05 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.82 6.09 -1.01 1.61 0.02 -1.25 -4.19 114.94 111.38 1itf s ASN 45 Ca 0.00 0.23 0.00 0.00 -1.02 0.00 0.00 52.86 52.07 1itf s ASN 45 Cb 0.00 -1.83 0.00 0.00 0.02 0.00 0.00 41.25 39.44 1itf s ASN 45 CO 0.00 0.23 0.00 0.00 0.02 0.00 0.00 177.10 177.35 1itf n GLN 46 N 0.78 -1.27 -3.02 -0.60 1.13 -1.26 -4.83 117.38 108.30 1itf n GLN 46 Ca -0.10 0.79 -0.17 0.00 -1.94 0.00 0.00 57.00 55.58 1itf n GLN 46 Cb 0.52 -4.95 -0.03 0.00 0.11 0.00 0.00 30.24 25.90 1itf n GLN 46 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1itf n PHE 47 N -2.42 -1.83 -2.61 1.08 3.72 -1.26 -4.93 117.46 109.21 1itf n PHE 47 Ca -0.10 -2.68 0.01 0.00 -0.05 0.00 0.00 57.45 54.64 1itf n PHE 47 Cb 0.47 0.58 0.03 0.00 -0.94 0.00 0.00 39.48 39.62 1itf n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1itf n GLN 48 N 1.87 0.78 -2.71 -1.08 10.64 -1.26 -4.58 117.38 121.03 1itf n GLN 48 Ca 0.18 -2.48 -0.04 0.00 -1.83 0.00 0.00 57.00 52.83 1itf n GLN 48 Cb 0.56 -0.58 0.03 0.00 -0.86 0.00 0.00 30.24 29.39 1itf n GLN 48 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1itf n LYS 49 N -0.11 0.30 -1.67 2.61 3.00 -1.26 -4.92 118.16 116.12 1itf n LYS 49 Ca 0.02 -1.32 -0.21 0.00 -0.00 0.00 0.00 58.31 56.81 1itf n LYS 49 Cb 0.96 -0.58 -0.08 0.00 0.00 0.00 0.00 35.03 35.32 1itf n LYS 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1itf n ALA 50 N 2.65 -0.34 -0.05 3.14 0.00 -1.26 -4.77 120.51 119.87 1itf n ALA 50 Ca 0.14 0.32 -0.17 0.00 0.00 0.00 0.00 53.44 53.73 1itf n ALA 50 Cb 0.62 -2.07 -0.14 0.00 0.00 0.00 0.00 19.45 17.86 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 -2.44 0.70 0.10 0.00 -0.58 -1.26 -4.05 120.64 113.12 1itf n GLU 51 Ca -0.21 0.21 0.01 0.00 -0.42 0.00 0.00 57.16 56.74 1itf n GLU 51 Cb 0.69 -1.65 -0.02 0.00 -0.57 0.00 0.00 31.44 29.89 1itf n GLU 51 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1itf h THR 52 N 0.03 0.90 -0.85 2.62 1.35 -1.88 -3.37 112.91 111.72 1itf h THR 52 Ca -0.46 -2.33 0.16 0.00 -0.55 0.00 0.00 66.41 63.23 1itf h THR 52 Cb 2.02 2.40 -0.16 0.00 -1.73 0.00 0.00 68.15 70.68 1itf h THR 52 CO 0.03 0.51 -0.27 0.40 -0.25 0.00 0.00 175.52 175.94 1itf h ILE 53 N 0.00 0.12 -0.37 6.82 2.04 -1.94 1.44 117.51 125.61 1itf h ILE 53 Ca -0.04 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1itf h ILE 53 Cb 1.48 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1itf h ILE 53 CO 0.07 0.00 -0.07 1.55 0.00 0.00 0.00 178.15 179.70 1itf h PRO 54 N -0.03 0.61 -0.05 2.37 0.13 -1.81 0.11 132.00 133.34 1itf h PRO 54 Ca 0.37 -0.17 -0.14 0.00 -0.87 0.00 0.00 66.00 65.20 1itf h PRO 54 Cb 0.61 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1itf h PRO 54 CO -0.88 0.69 -0.59 0.28 -0.23 0.00 0.00 178.00 177.27 1itf h VAL 55 N 0.57 1.39 0.00 1.56 2.07 -0.26 -2.37 116.25 119.21 1itf h VAL 55 Ca 0.11 -1.96 -0.14 0.00 0.82 0.00 0.00 66.70 65.53 1itf h VAL 55 Cb 0.47 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1itf h VAL 55 CO 0.02 0.57 -0.66 -0.07 0.02 0.00 0.00 177.57 177.46 1itf h LEU 56 N 0.12 0.00 -0.17 2.57 3.38 0.24 0.15 115.31 121.61 1itf h LEU 56 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1itf h LEU 56 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1itf h LEU 56 CO 0.09 0.66 -0.07 -0.74 0.09 0.00 0.00 178.44 178.46 1itf h HIS 57 N 0.00 0.40 0.00 1.13 2.76 -0.45 0.45 115.15 119.44 1itf h HIS 57 Ca -0.01 -0.10 -0.12 0.00 -2.20 0.00 0.00 60.37 57.94 1itf h HIS 57 Cb 1.16 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.01 1itf h HIS 57 CO 0.00 0.65 -0.59 0.93 -1.30 0.00 0.00 177.93 177.62 1itf h GLU 58 N 0.03 0.00 -0.23 5.26 4.39 -1.41 -0.93 114.58 121.69 1itf h GLU 58 Ca 0.04 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 1itf h GLU 58 Cb 0.54 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1itf h GLU 58 CO 0.02 0.59 -0.08 1.98 -1.16 0.00 0.00 179.01 180.36 1itf h MET 59 N 0.00 0.47 0.00 2.33 1.85 -0.59 0.34 114.93 119.33 1itf h MET 59 Ca -0.01 -0.19 -0.05 0.00 -0.61 0.00 0.00 59.70 58.85 1itf h MET 59 Cb 1.30 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.30 1itf h MET 59 CO 0.08 0.72 -0.22 0.82 -0.40 0.00 0.00 176.91 177.90 1itf h ILE 60 N 0.19 0.48 -0.11 1.77 2.04 -0.89 -1.29 117.51 119.71 1itf h ILE 60 Ca 0.06 -1.22 -0.19 0.00 1.00 0.00 0.00 64.86 64.50 1itf h ILE 60 Cb 0.56 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1itf h ILE 60 CO 0.03 0.22 -0.72 -0.61 0.00 0.00 0.00 178.15 177.06 1itf h GLN 61 N 0.00 0.52 -0.23 2.37 5.75 -0.85 0.15 115.11 122.82 1itf h GLN 61 Ca -0.00 -0.41 -0.17 0.00 -0.15 0.00 0.00 58.65 57.91 1itf h GLN 61 Cb 0.85 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.48 1itf h GLN 61 CO 0.03 1.04 -0.55 1.96 -2.65 0.00 0.00 178.83 178.66 1itf h GLN 62 N 0.36 0.69 -0.07 1.69 4.20 -0.58 -2.28 115.11 119.12 1itf h GLN 62 Ca -0.03 -0.44 -0.14 0.00 0.06 0.00 0.00 58.65 58.09 1itf h GLN 62 Cb 1.31 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.13 1itf h GLN 62 CO 0.13 1.06 -0.60 0.82 -0.67 0.00 0.00 178.83 179.58 1itf h ILE 63 N 0.53 1.38 -0.35 2.54 2.04 -1.18 0.06 117.51 122.53 1itf h ILE 63 Ca 0.01 -1.96 -0.00 0.00 1.00 0.00 0.00 64.86 63.91 1itf h ILE 63 Cb 1.12 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 1itf h ILE 63 CO 0.11 0.58 0.21 0.15 0.00 0.00 0.00 178.15 179.20 1itf h PHE 64 N 0.19 0.46 0.05 1.37 3.04 -0.46 -0.01 116.94 121.57 1itf h PHE 64 Ca -0.00 -0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.69 1itf h PHE 64 Cb 1.10 -0.15 0.01 0.00 2.56 0.00 0.00 35.95 39.47 1itf h PHE 64 CO 0.02 0.33 -1.07 -0.97 -2.02 0.00 0.00 178.31 174.60 1itf h ASN 65 N 0.45 0.62 0.09 0.41 -0.73 -1.35 0.19 115.58 115.28 1itf h ASN 65 Ca 0.13 -0.54 -0.02 0.00 1.87 0.00 0.00 56.30 57.74 1itf h ASN 65 Cb 0.00 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.39 1itf h ASN 65 CO -0.02 1.36 -0.09 0.25 -0.37 0.00 0.00 177.43 178.56 1itf h LEU 66 N 0.23 0.00 0.00 0.34 5.85 -0.78 -0.75 115.31 120.21 1itf h LEU 66 Ca -0.12 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.43 1itf h LEU 66 Cb 1.73 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.72 1itf h LEU 66 CO 0.19 0.09 -1.99 0.49 -0.34 0.00 0.00 178.44 176.88 1itf n PHE 67 N -4.40 0.24 0.22 1.25 3.01 -0.04 -4.16 117.46 113.59 1itf n PHE 67 Ca -0.03 0.08 0.11 0.00 1.01 0.00 0.00 57.45 58.62 1itf n PHE 67 Cb 0.17 -0.83 0.35 0.00 -0.01 0.00 0.00 39.48 39.16 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 -3.32 4.37 0.87 -0.19 -3.27 113.55 112.01 1itf h SER 68 Ca -0.24 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.74 1itf h SER 68 Cb 1.60 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 63.71 1itf h SER 68 CO 0.02 0.14 0.01 0.35 -0.53 0.00 0.00 176.83 176.83 1itf n THR 69 N -3.19 3.09 0.24 2.23 -2.24 -0.32 -4.62 114.28 109.46 1itf n THR 69 Ca 0.02 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.39 1itf n THR 69 Cb 0.48 -1.04 0.59 0.00 -2.10 0.00 0.00 70.33 68.26 1itf n THR 69 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1itf h LYS 70 N 0.67 0.00 0.00 -0.78 1.63 -1.92 0.29 116.57 116.47 1itf h LYS 70 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1itf h LYS 70 Cb 1.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 1itf h LYS 70 CO 0.51 0.19 0.00 0.38 -3.45 0.00 0.00 179.45 177.08 1itf h ASP 71 N 0.00 0.00 0.00 4.20 3.04 -1.94 -2.49 116.42 119.23 1itf h ASP 71 Ca -0.00 0.00 -0.32 0.00 -3.24 0.00 0.00 57.03 53.47 1itf h ASP 71 Cb 0.42 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.65 1itf h ASP 71 CO 0.02 0.00 -2.21 -1.20 -2.04 0.00 0.00 179.24 173.81 1itf n SER 72 N -2.84 0.97 0.20 4.15 7.64 -0.34 -3.42 113.62 119.98 1itf n SER 72 Ca 0.02 -0.02 0.04 0.00 1.01 0.00 0.00 58.87 59.91 1itf n SER 72 Cb 0.32 0.70 0.43 0.00 -1.01 0.00 0.00 64.21 64.66 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 0.03 0.73 6.43 0.02 -0.43 -0.94 113.55 119.39 1itf h SER 73 Ca -0.48 -0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.21 1itf h SER 73 Cb 2.02 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 64.52 1itf h SER 73 CO 0.01 0.28 -1.35 0.00 -1.14 0.00 0.00 176.83 174.63 1itf h ALA 74 N 1.72 0.51 -0.48 3.77 0.00 -1.63 -3.31 119.26 119.84 1itf h ALA 74 Ca 0.00 -1.16 -0.07 0.00 0.00 0.00 0.00 54.91 53.68 1itf h ALA 74 Cb 0.45 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1itf h ALA 74 CO 0.03 1.37 0.01 0.00 0.00 0.00 0.00 179.25 180.66 1itf h ALA 75 N 0.94 1.11 -0.87 0.00 0.00 -1.40 -3.45 119.26 115.60 1itf h ALA 75 Ca -0.15 -0.26 -0.61 0.00 0.00 0.00 0.00 54.91 53.89 1itf h ALA 75 Cb 1.90 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 19.40 1itf h ALA 75 CO 0.11 0.57 -0.44 -1.58 0.00 0.00 0.00 179.25 177.91 1itf s TRP 76 N -4.99 2.04 0.27 0.00 0.52 -0.42 -5.03 118.94 111.33 1itf s TRP 76 Ca -0.09 -0.79 -0.29 0.00 0.02 0.00 0.00 56.10 54.94 1itf s TRP 76 Cb 0.15 -1.83 -0.09 0.00 -1.15 0.00 0.00 33.47 30.54 1itf s TRP 76 CO 0.81 -0.02 1.17 -0.51 0.02 0.00 0.00 176.95 178.42 1itf s ASP 77 N -4.02 7.12 0.40 2.95 1.11 -1.26 -4.78 116.67 118.20 1itf s ASP 77 Ca 0.28 2.35 0.18 0.00 0.18 0.00 0.00 52.55 55.54 1itf s ASP 77 Cb 0.01 -2.63 0.86 0.00 1.07 0.00 0.00 42.92 42.24 1itf s ASP 77 CO 0.16 -0.28 1.85 1.05 1.18 0.00 0.00 175.17 179.13 1itf h GLU 78 N 4.04 0.00 0.12 8.23 4.11 -1.96 0.19 114.58 129.30 1itf h GLU 78 Ca -0.47 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.77 1itf h GLU 78 Cb 1.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.49 1itf h GLU 78 CO 0.68 0.32 -0.83 1.15 0.07 0.00 0.00 179.01 180.40 1itf h THR 79 N 0.00 1.47 -0.59 -1.06 2.02 -1.96 0.25 112.91 113.05 1itf h THR 79 Ca -0.00 -2.44 -0.05 0.00 0.77 0.00 0.00 66.41 64.69 1itf h THR 79 Cb 0.67 3.02 -0.03 0.00 -1.74 0.00 0.00 68.15 70.08 1itf h THR 79 CO 0.04 0.70 0.16 -0.07 0.37 0.00 0.00 175.52 176.73 1itf h LEU 80 N -0.24 0.83 -0.59 2.58 3.38 -1.92 -1.39 115.31 117.96 1itf h LEU 80 Ca -0.14 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.54 1itf h LEU 80 Cb 1.62 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1itf h LEU 80 CO 0.16 0.80 -0.63 -0.07 0.09 0.00 0.00 178.44 178.79 1itf h LEU 81 N 0.86 0.31 0.06 1.67 3.38 -0.64 -1.79 115.31 119.16 1itf h LEU 81 Ca 0.19 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1itf h LEU 81 Cb 0.28 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1itf h LEU 81 CO -0.01 0.86 -0.21 -0.78 0.09 0.00 0.00 178.44 178.40 1itf h ASP 82 N 0.20 -0.59 0.01 -0.43 3.58 0.57 0.33 116.42 120.09 1itf h ASP 82 Ca -0.01 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 1itf h ASP 82 Cb 1.15 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.42 1itf h ASP 82 CO 0.10 -0.28 -0.13 0.11 -2.88 0.00 0.00 179.24 176.16 1itf h LYS 83 N -0.36 0.26 -0.35 0.28 1.79 -1.34 -1.38 116.57 115.47 1itf h LYS 83 Ca 0.04 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1itf h LYS 83 Cb 0.41 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1itf h LYS 83 CO -0.15 0.40 0.04 0.35 -1.08 0.00 0.00 179.45 179.01 1itf h PHE 84 N 0.25 0.53 -0.03 -1.35 3.57 -0.19 -0.58 116.94 119.15 1itf h PHE 84 Ca 0.05 -0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1itf h PHE 84 Cb 0.39 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1itf h PHE 84 CO 0.01 0.50 -0.67 1.88 -2.23 0.00 0.00 178.31 177.79 1itf h TYR 85 N 0.51 0.16 -0.33 0.41 0.05 0.66 -0.47 116.97 117.96 1itf h TYR 85 Ca 0.11 -0.07 -0.15 0.00 0.05 0.00 0.00 58.73 58.68 1itf h TYR 85 Cb 0.27 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 1itf h TYR 85 CO 0.01 0.75 -0.38 1.15 -1.05 0.00 0.00 178.16 178.64 1itf h THR 86 N 0.08 1.28 -0.00 -2.88 2.02 -0.60 0.30 112.91 113.12 1itf h THR 86 Ca -0.01 -1.55 -0.16 0.00 0.77 0.00 0.00 66.41 65.45 1itf h THR 86 Cb 1.20 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 1itf h THR 86 CO 0.10 0.51 -0.78 -0.33 0.37 0.00 0.00 175.52 175.38 1itf h GLU 87 N 0.62 0.00 -0.24 6.66 4.39 -1.10 0.05 114.58 124.96 1itf h GLU 87 Ca 0.05 -0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 1itf h GLU 87 Cb 0.97 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1itf h GLU 87 CO 0.09 0.78 -0.52 -0.07 -1.16 0.00 0.00 179.01 178.14 1itf h LEU 88 N 0.00 0.77 -0.05 1.33 3.38 -0.97 -0.77 115.31 119.01 1itf h LEU 88 Ca -0.01 -0.40 -0.23 0.00 0.09 0.00 0.00 57.88 57.33 1itf h LEU 88 Cb 1.38 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1itf h LEU 88 CO 0.10 1.15 -1.06 0.22 0.09 0.00 0.00 178.44 178.94 1itf h TYR 89 N 0.54 0.33 -0.07 1.13 5.03 -0.86 -1.58 116.97 121.49 1itf h TYR 89 Ca 0.02 -0.22 -0.04 0.00 2.58 0.00 0.00 58.73 61.07 1itf h TYR 89 Cb 1.08 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.34 1itf h TYR 89 CO 0.05 1.12 -0.12 0.37 -1.32 0.00 0.00 178.16 178.26 1itf h GLN 90 N 0.08 0.22 -0.34 1.82 4.15 -0.95 -0.05 115.11 120.03 1itf h GLN 90 Ca -0.08 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.16 1itf h GLN 90 Cb 1.76 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.45 1itf h GLN 90 CO 0.16 0.71 -0.01 0.37 -1.93 0.00 0.00 178.83 178.13 1itf h GLN 91 N -0.25 0.53 -0.56 1.69 5.75 -1.23 -1.52 115.11 119.53 1itf h GLN 91 Ca 0.01 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.36 1itf h GLN 91 Cb 0.69 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1itf h GLN 91 CO 0.03 0.57 0.24 -0.07 -2.65 0.00 0.00 178.83 176.94 1itf h LEU 92 N 0.51 0.75 0.15 -2.39 3.38 -1.16 -1.50 115.31 115.05 1itf h LEU 92 Ca 0.11 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1itf h LEU 92 Cb 0.35 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1itf h LEU 92 CO 0.01 0.70 -0.18 -1.13 0.09 0.00 0.00 178.44 177.93 1itf h ASN 93 N 0.75 -0.49 -0.25 -0.43 -0.73 0.02 0.12 115.58 114.57 1itf h ASN 93 Ca 0.19 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.38 1itf h ASN 93 Cb 0.17 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 1itf h ASN 93 CO -0.02 -0.27 0.03 -2.24 -0.37 0.00 0.00 177.43 174.57 1itf h ASP 94 N -0.38 0.41 -0.89 1.15 2.03 -1.38 -1.54 116.42 115.83 1itf h ASP 94 Ca 0.01 -0.27 0.19 0.00 -0.73 0.00 0.00 57.03 56.23 1itf h ASP 94 Cb 0.37 -0.11 -0.07 0.00 -0.83 0.00 0.00 39.33 38.69 1itf h ASP 94 CO -0.06 0.57 0.58 -0.07 -1.03 0.00 0.00 179.24 179.24 1itf h LEU 95 N 0.23 0.43 -0.18 0.15 3.38 -1.11 0.17 115.31 118.39 1itf h LEU 95 Ca 0.08 0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 1itf h LEU 95 Cb 0.34 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1itf h LEU 95 CO 0.01 0.18 -0.89 -0.08 0.09 0.00 0.00 178.44 177.75 1itf h GLU 96 N 0.44 0.56 -0.32 1.13 4.81 -0.19 -3.13 114.58 117.87 1itf h GLU 96 Ca 0.46 -0.54 0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1itf h GLU 96 Cb 1.09 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.54 1itf h GLU 96 CO -0.18 1.16 -0.11 0.00 -0.73 0.00 0.00 179.01 179.16 1itf h ALA 97 N 0.66 0.17 -0.94 2.92 0.00 0.03 0.24 119.26 122.35 1itf h ALA 97 Ca -0.08 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1itf h ALA 97 Cb 1.52 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 1itf h ALA 97 CO 0.17 -0.49 0.61 0.00 0.00 0.00 0.00 179.25 179.53 1itf h VAL 99 N 1.07 1.28 0.16 0.00 2.07 -0.87 -3.18 116.25 116.78 1itf h VAL 99 Ca 0.41 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.55 1itf h VAL 99 Cb 0.21 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1itf h VAL 99 CO -0.16 0.43 -0.28 0.40 0.02 0.00 0.00 177.57 177.98 1itf h ILE 100 N 0.32 0.40 -4.52 4.57 1.08 0.74 -3.44 117.51 116.67 1itf h ILE 100 Ca 0.04 0.00 -0.26 0.00 -0.39 0.00 0.00 64.86 64.25 1itf h ILE 100 Cb 0.75 0.40 0.05 0.00 -3.07 0.00 0.00 36.82 34.95 1itf h ILE 100 CO 0.06 0.00 0.07 0.00 -0.69 0.00 0.00 178.15 177.59 1itf n GLN 101 N -5.39 0.17 -2.69 2.37 3.00 -1.15 -5.02 117.38 108.67 1itf n GLN 101 Ca -0.07 -1.55 -0.35 0.00 -0.01 0.00 0.00 57.00 55.03 1itf n GLN 101 Cb 0.30 -0.39 -0.00 0.00 0.00 0.00 0.00 30.24 30.14 1itf n GLN 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1itf n GLY 102 N 0.59 5.89 2.19 1.08 0.00 -1.26 -4.63 105.19 109.05 1itf n GLY 102 Ca 0.09 -2.66 -0.26 0.00 0.00 0.00 0.00 46.02 43.19 1itf n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1itf n VAL 103 N -0.20 3.19 0.00 1.61 0.31 -1.26 -4.54 118.33 117.44 1itf n VAL 103 Ca 0.41 -2.44 0.00 0.00 -0.01 0.00 0.00 64.34 62.30 1itf n VAL 103 Cb 0.33 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 1itf n VAL 103 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1itf n GLY 104 N -0.05 1.35 3.40 2.92 0.00 -1.26 -4.73 105.19 106.81 1itf n GLY 104 Ca 0.45 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 3.09 0.36 1.61 1.01 -1.26 -4.08 120.40 119.12 1itf s VAL 105 Ca 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1itf s VAL 105 Cb 0.00 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 1itf s VAL 105 CO 0.00 0.54 -0.05 0.42 0.00 0.00 0.00 175.10 176.00 1itf s THR 106 N 0.14 2.05 0.00 3.92 -4.23 -1.26 -4.74 115.64 111.52 1itf s THR 106 Ca -0.07 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 1itf s THR 106 Cb -0.15 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1itf s THR 106 CO 0.05 -0.14 0.00 -0.62 -0.54 0.00 0.00 174.62 173.37 1itf n GLU 107 N -0.82 2.54 0.11 3.99 1.02 -1.26 -4.86 120.64 121.36 1itf n GLU 107 Ca -0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.97 1itf n GLU 107 Cb 0.65 -0.41 -0.06 0.00 -0.02 0.00 0.00 31.44 31.60 1itf n GLU 107 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1itf h THR 108 N 0.00 0.46 -3.91 2.62 2.02 -2.05 -3.42 112.91 108.64 1itf h THR 108 Ca 0.00 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.68 1itf h THR 108 Cb 0.00 0.46 0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1itf h THR 108 CO 0.00 0.00 0.47 -2.16 0.37 0.00 0.00 175.52 174.20 1itf s PRO 109 N -6.07 4.26 0.00 6.66 0.04 -1.26 -4.92 135.00 133.70 1itf s PRO 109 Ca -0.15 1.74 0.17 0.00 0.04 0.00 0.00 61.00 62.81 1itf s PRO 109 Cb 0.08 -2.79 0.76 0.00 0.04 0.00 0.00 34.50 32.59 1itf s PRO 109 CO 0.65 -0.12 1.56 1.47 0.04 0.00 0.00 177.00 180.60 1itf n LEU 110 N 0.36 0.00 -0.07 -3.56 -0.00 -1.26 -3.12 117.00 109.34 1itf n LEU 110 Ca 0.03 0.48 0.14 0.00 -0.00 0.00 0.00 56.01 56.66 1itf n LEU 110 Cb 0.47 -0.48 0.53 0.00 -0.00 0.00 0.00 43.42 43.94 1itf n LEU 110 CO 0.50 -0.19 1.19 0.00 -0.00 0.00 0.00 177.39 178.88 1itf h MET 111 N 0.00 0.33 -0.29 1.47 -0.00 -1.93 0.18 114.93 114.68 1itf h MET 111 Ca 0.00 -0.02 -0.12 0.00 -0.00 0.00 0.00 59.70 59.56 1itf h MET 111 Cb 0.29 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.80 1itf h MET 111 CO 0.00 0.22 -0.31 0.87 -0.00 0.00 0.00 176.91 177.69 1itf h LYS 112 N 0.34 0.61 0.00 -0.10 1.79 -1.87 -2.63 116.57 114.71 1itf h LYS 112 Ca 0.28 -0.27 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1itf h LYS 112 Cb 0.64 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1itf h LYS 112 CO -0.07 0.85 -0.35 1.49 -1.08 0.00 0.00 179.45 180.29 1itf h GLU 113 N 0.53 0.00 -0.68 3.15 4.57 -1.27 -3.27 114.58 117.60 1itf h GLU 113 Ca 0.06 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1itf h GLU 113 Cb 0.80 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 1itf h GLU 113 CO 0.07 0.20 0.17 0.22 -1.18 0.00 0.00 179.01 178.49 1itf h ASP 114 N 0.00 1.02 -0.19 1.04 3.58 -0.37 0.90 116.42 122.40 1itf h ASP 114 Ca -0.01 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 1itf h ASP 114 Cb 1.17 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 1itf h ASP 114 CO 0.03 0.97 0.07 0.77 -2.88 0.00 0.00 179.24 178.19 1itf h SER 115 N 1.03 0.27 -0.15 2.28 4.64 -1.57 0.71 113.55 120.76 1itf h SER 115 Ca 0.22 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1itf h SER 115 Cb 0.35 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1itf h SER 115 CO 0.00 0.38 -0.16 0.40 -0.87 0.00 0.00 176.83 176.59 1itf h ILE 116 N 0.14 1.24 -0.32 0.95 2.04 -1.54 -2.10 117.51 117.92 1itf h ILE 116 Ca 0.06 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 1itf h ILE 116 Cb 0.21 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1itf h ILE 116 CO -0.00 0.36 -0.04 0.25 0.00 0.00 0.00 178.15 178.72 1itf h LEU 117 N 0.49 0.47 -0.34 1.44 6.46 0.13 0.37 115.31 124.33 1itf h LEU 117 Ca 0.08 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1itf h LEU 117 Cb 0.55 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1itf h LEU 117 CO 0.04 0.57 0.04 0.00 -0.62 0.00 0.00 178.44 178.47 1itf h ALA 118 N 1.49 0.46 0.00 1.25 0.00 -0.22 -0.69 119.26 121.55 1itf h ALA 118 Ca 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1itf h ALA 118 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1itf h ALA 118 CO 0.02 0.17 -0.19 0.28 0.00 0.00 0.00 179.25 179.53 1itf h VAL 119 N 0.40 0.60 -0.13 0.00 2.07 -0.88 -1.90 116.25 116.43 1itf h VAL 119 Ca 0.10 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1itf h VAL 119 Cb 0.38 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1itf h VAL 119 CO 0.01 0.19 -0.09 -0.09 0.02 0.00 0.00 177.57 177.61 1itf h ARG 120 N 0.00 0.29 0.00 1.57 2.43 0.76 -0.56 114.38 118.86 1itf h ARG 120 Ca -0.00 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1itf h ARG 120 Cb 0.56 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1itf h ARG 120 CO 0.02 0.65 -0.40 1.57 -1.51 0.00 0.00 179.97 180.30 1itf h LYS 121 N -0.08 0.00 0.00 0.20 2.10 -0.99 0.16 116.57 117.96 1itf h LYS 121 Ca 0.03 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1itf h LYS 121 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1itf h LYS 121 CO 0.02 0.40 -0.00 -0.92 -2.00 0.00 0.00 179.45 176.95 1itf h TYR 122 N 0.00 -0.01 0.00 0.07 3.20 -1.18 -1.99 116.97 117.06 1itf h TYR 122 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1itf h TYR 122 Cb 0.80 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1itf h TYR 122 CO 0.00 0.38 -0.31 0.74 -1.64 0.00 0.00 178.16 177.33 1itf h PHE 123 N -0.39 0.00 -0.60 -3.82 -1.00 -0.98 -2.22 116.94 107.93 1itf h PHE 123 Ca -0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1itf h PHE 123 Cb 0.39 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 1itf h PHE 123 CO 0.06 0.31 0.08 0.37 -1.61 0.00 0.00 178.31 177.52 1itf h GLN 124 N 0.00 1.01 -0.43 1.51 5.75 -0.52 0.56 115.11 122.99 1itf h GLN 124 Ca -0.00 -0.28 -0.12 0.00 -0.15 0.00 0.00 58.65 58.10 1itf h GLN 124 Cb 0.80 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 1itf h GLN 124 CO 0.04 0.96 -0.19 -0.09 -2.65 0.00 0.00 178.83 176.89 1itf h ARG 125 N 0.91 0.84 -0.56 1.69 2.43 -1.07 -1.98 114.38 116.64 1itf h ARG 125 Ca 0.18 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1itf h ARG 125 Cb 0.45 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1itf h ARG 125 CO 0.02 0.96 0.14 0.82 -1.51 0.00 0.00 179.97 180.40 1itf h ILE 126 N 0.74 1.23 -0.40 1.20 2.04 -0.92 0.98 117.51 122.38 1itf h ILE 126 Ca 0.11 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 1itf h ILE 126 Cb 0.72 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1itf h ILE 126 CO 0.06 0.31 -0.02 0.74 0.00 0.00 0.00 178.15 179.24 1itf h THR 127 N 0.84 1.26 -0.16 -0.27 2.02 -0.55 -1.31 112.91 114.74 1itf h THR 127 Ca 0.18 -1.05 -0.08 0.00 0.77 0.00 0.00 66.41 66.24 1itf h THR 127 Cb 0.30 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1itf h THR 127 CO -0.00 0.35 -0.25 0.25 0.37 0.00 0.00 175.52 176.24 1itf h LEU 128 N 0.54 0.29 -0.38 2.58 5.85 -1.04 -1.78 115.31 121.36 1itf h LEU 128 Ca 0.11 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1itf h LEU 128 Cb 0.50 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1itf h LEU 128 CO 0.02 0.55 0.17 0.22 -0.34 0.00 0.00 178.44 179.06 1itf h TYR 129 N 0.27 0.57 -0.76 1.25 3.20 -0.36 0.31 116.97 121.45 1itf h TYR 129 Ca 0.04 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1itf h TYR 129 Cb 0.59 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 1itf h TYR 129 CO 0.01 0.50 0.28 -0.07 -1.64 0.00 0.00 178.16 177.24 1itf h LEU 130 N 0.48 1.06 -0.68 2.82 3.38 -0.88 -0.63 115.31 120.85 1itf h LEU 130 Ca 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1itf h LEU 130 Cb 0.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1itf h LEU 130 CO -0.01 0.95 0.00 0.11 0.09 0.00 0.00 178.44 179.58 1itf h LYS 131 N 1.11 0.00 0.02 1.13 1.57 -0.92 0.64 116.57 120.12 1itf h LYS 131 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1itf h LYS 131 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1itf h LYS 131 CO -0.02 0.00 -0.01 1.49 -0.57 0.00 0.00 179.45 180.35 1itf h GLU 132 N 0.00 -0.02 -0.01 3.15 4.81 0.78 -3.17 114.58 120.12 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 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1itf h GLU 132 CO 0.00 0.75 0.00 1.63 -0.73 0.00 0.00 179.01 180.66 1itf n LYS 133 N -4.70 1.05 -3.56 1.92 4.01 -0.36 -4.89 118.16 111.64 1itf n LYS 133 Ca -0.09 -0.08 -0.23 0.00 -0.51 0.00 0.00 58.31 57.40 1itf n LYS 133 Cb 0.38 -1.42 0.08 0.00 -0.51 0.00 0.00 35.03 33.55 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 -0.83 -7.73 -3.40 1.97 5.02 0.07 -2.75 118.16 110.51 1itf n LYS 134 Ca 0.20 0.81 -0.17 0.00 -2.02 0.00 0.00 58.31 57.14 1itf n LYS 134 Cb 0.11 -5.81 0.09 0.00 -0.02 0.00 0.00 35.03 29.40 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 -4.90 -2.23 -1.62 2.13 4.01 0.20 -4.99 117.16 109.77 1itf n TYR 135 Ca -0.01 0.92 -0.30 0.00 -0.16 0.00 0.00 57.90 58.35 1itf n TYR 135 Cb 0.57 -4.92 0.06 0.00 -0.31 0.00 0.00 39.34 34.74 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 -4.19 5.10 0.11 7.72 0.01 -1.11 -4.90 113.70 116.43 1itf s SER 136 Ca 0.08 1.43 -0.15 0.00 1.31 0.00 0.00 55.95 58.63 1itf s SER 136 Cb -0.01 -2.26 -0.07 0.00 0.21 0.00 0.00 66.02 63.89 1itf s SER 136 CO 0.73 -1.60 1.46 1.55 0.41 0.00 0.00 173.24 175.79 1itf h PRO 137 N -0.83 0.71 -0.42 12.44 0.13 -1.94 -1.43 132.00 140.67 1itf h PRO 137 Ca -0.45 -0.34 -0.14 0.00 -0.87 0.00 0.00 66.00 64.20 1itf h PRO 137 Cb 1.24 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1itf h PRO 137 CO 0.59 0.95 -0.28 0.00 -0.23 0.00 0.00 178.00 179.02 1itf h ALA 139 N 0.91 1.48 0.00 0.00 0.00 -1.89 -0.04 119.26 119.72 1itf h ALA 139 Ca 0.09 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1itf h ALA 139 Cb 0.84 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1itf h ALA 139 CO 0.07 0.44 -0.56 -1.49 0.00 0.00 0.00 179.25 177.71 1itf h TRP 140 N 1.05 0.00 -0.10 0.00 4.06 -0.92 -1.87 115.95 118.16 1itf h TRP 140 Ca 0.34 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 61.08 1itf h TRP 140 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1itf h TRP 140 CO -0.00 0.56 -0.76 1.49 -3.56 0.00 0.00 178.44 176.17 1itf h GLU 141 N 0.00 0.56 -0.45 0.49 4.22 -0.48 0.46 114.58 119.38 1itf h GLU 141 Ca -0.01 -0.46 -0.03 0.00 0.08 0.00 0.00 59.36 58.94 1itf h GLU 141 Cb 1.05 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1itf h GLU 141 CO 0.07 1.09 0.16 0.28 -2.18 0.00 0.00 179.01 178.43 1itf h VAL 142 N 0.38 1.22 0.00 0.32 2.07 -0.90 -0.56 116.25 118.78 1itf h VAL 142 Ca -0.04 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 1itf h VAL 142 Cb 1.36 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1itf h VAL 142 CO 0.14 0.25 -0.43 0.58 0.02 0.00 0.00 177.57 178.13 1itf h VAL 143 N 0.59 1.05 0.40 2.57 2.07 -1.27 -1.45 116.25 120.20 1itf h VAL 143 Ca 0.15 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 1itf h VAL 143 Cb 0.24 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1itf h VAL 143 CO -0.01 0.42 -0.19 -0.09 0.02 0.00 0.00 177.57 177.72 1itf h ARG 144 N 0.00 -0.52 -0.12 1.57 9.65 0.83 0.26 114.38 126.06 1itf h ARG 144 Ca -0.00 0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.84 1itf h ARG 144 Cb 0.91 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.60 1itf h ARG 144 CO 0.06 -0.31 -0.25 0.00 2.80 0.00 0.00 179.97 182.27 1itf h ALA 145 N -0.01 1.36 -0.02 2.80 0.00 -1.06 -1.71 119.26 120.61 1itf h ALA 145 Ca -0.05 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1itf h ALA 145 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1itf h ALA 145 CO 0.09 0.44 -0.58 0.93 0.00 0.00 0.00 179.25 180.13 1itf h GLU 146 N 0.19 0.08 0.05 0.00 4.39 -0.89 -0.95 114.58 117.45 1itf h GLU 146 Ca 0.03 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 59.45 1itf h GLU 146 Cb 0.55 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1itf h GLU 146 CO 0.04 0.64 -1.06 0.82 -1.16 0.00 0.00 179.01 178.29 1itf h ILE 147 N 0.06 1.57 -0.13 3.13 1.08 -0.02 -0.47 117.51 122.72 1itf h ILE 147 Ca -0.00 -3.04 -0.23 0.00 -0.39 0.00 0.00 64.86 61.19 1itf h ILE 147 Cb 1.05 2.77 0.01 0.00 -3.07 0.00 0.00 36.82 37.58 1itf h ILE 147 CO 0.08 0.88 -0.81 -0.03 -0.69 0.00 0.00 178.15 177.58 1itf h MET 148 N 0.06 0.77 -0.16 2.37 1.85 -1.23 -0.29 114.93 118.31 1itf h MET 148 Ca -0.07 -0.65 -0.09 0.00 -0.61 0.00 0.00 59.70 58.28 1itf h MET 148 Cb 1.77 0.14 -0.00 0.00 0.43 0.00 0.00 31.60 33.94 1itf h MET 148 CO 0.16 1.25 -0.24 -0.09 -0.40 0.00 0.00 176.91 177.59 1itf h ARG 149 N 0.51 0.44 -0.66 0.39 2.43 -1.22 -0.58 114.38 115.69 1itf h ARG 149 Ca -0.06 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 1itf h ARG 149 Cb 1.44 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.99 1itf h ARG 149 CO 0.17 0.85 0.23 0.66 -1.51 0.00 0.00 179.97 180.37 1itf h SER 150 N 0.06 0.92 -0.35 -3.80 4.64 -1.11 0.19 113.55 114.10 1itf h SER 150 Ca 0.01 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 1itf h SER 150 Cb 0.81 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1itf h SER 150 CO 0.06 0.84 -0.22 0.15 -0.87 0.00 0.00 176.83 176.79 1itf h PHE 151 N 0.97 0.90 -0.15 4.77 3.04 -0.98 0.15 116.94 125.63 1itf h PHE 151 Ca 0.22 -0.24 -0.09 0.00 3.98 0.00 0.00 57.97 61.84 1itf h PHE 151 Cb 0.23 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 1itf h PHE 151 CO 0.02 0.99 -0.30 1.03 -2.02 0.00 0.00 178.31 178.02 1itf h SER 152 N 0.55 0.30 0.02 0.41 0.87 -0.76 -0.40 113.55 114.55 1itf h SER 152 Ca 0.07 -0.10 -0.16 0.00 -1.23 0.00 0.00 61.79 60.37 1itf h SER 152 Cb 0.78 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1itf h SER 152 CO 0.06 0.60 -0.53 -0.07 -0.53 0.00 0.00 176.83 176.35 1itf h LEU 153 N 0.26 0.61 -0.49 2.23 3.38 -0.40 0.58 115.31 121.48 1itf h LEU 153 Ca 0.04 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.54 1itf h LEU 153 Cb 0.67 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1itf h LEU 153 CO 0.05 1.03 -0.38 0.28 0.09 0.00 0.00 178.44 179.51 1itf h SER 154 N 0.43 0.88 -0.10 -0.43 0.02 -0.49 -2.90 113.55 110.96 1itf h SER 154 Ca 0.01 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1itf h SER 154 Cb 1.07 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1itf h SER 154 CO 0.10 1.15 0.00 0.35 -1.14 0.00 0.00 176.83 177.29 1itf n THR 155 N -4.05 0.10 0.28 -2.27 -2.24 -0.20 -4.20 114.28 101.69 1itf n THR 155 Ca -0.02 -0.39 0.19 0.00 -2.27 0.00 0.00 64.05 61.56 1itf n THR 155 Cb 0.53 0.76 0.99 0.00 -2.10 0.00 0.00 70.33 70.51 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 3.12 0.00 -0.98 3.42 -1.24 0.39 -1.76 115.58 118.52 1itf h ASN 156 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.05 1itf h ASN 156 Cb 0.67 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.66 1itf h ASN 156 CO 0.00 0.00 0.64 -0.07 -1.29 0.00 0.00 177.43 176.71 1itf h LEU 157 N 0.00 1.07 0.08 0.34 -0.00 -1.78 0.26 115.31 115.29 1itf h LEU 157 Ca 0.00 -0.01 -0.27 0.00 -0.00 0.00 0.00 57.88 57.60 1itf h LEU 157 Cb 0.01 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.42 1itf h LEU 157 CO 0.00 0.73 -1.29 1.56 -0.00 0.00 0.00 178.44 179.44 1itf h GLN 158 N 1.23 0.18 0.00 1.13 1.08 -1.66 -3.25 115.11 113.82 1itf h GLN 158 Ca 0.40 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1itf h GLN 158 Cb 0.02 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1itf h GLN 158 CO -0.13 1.09 -0.21 1.49 -0.95 0.00 0.00 178.83 180.12 1itf h GLU 159 N 0.05 0.00 -3.08 1.46 4.57 -1.15 -3.25 114.58 113.17 1itf h GLU 159 Ca -0.14 0.00 -0.79 0.00 -1.18 0.00 0.00 59.36 57.25 1itf h GLU 159 Cb 1.93 0.00 -0.29 0.00 -0.16 0.00 0.00 28.75 30.23 1itf h GLU 159 CO 0.17 0.21 0.55 0.45 -1.18 0.00 0.00 179.01 179.21 1itf n SER 160 N -3.95 5.87 -4.35 1.04 2.88 0.85 -4.96 113.62 111.00 1itf n SER 160 Ca -0.02 -3.29 -0.46 0.00 -1.33 0.00 0.00 58.87 53.77 1itf n SER 160 Cb 0.29 -1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 62.47 1itf n SER 160 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1itf s LEU 161 N -2.26 6.06 -0.20 2.46 2.96 -1.23 -4.85 118.68 121.61 1itf s LEU 161 Ca 0.31 -2.07 -0.15 0.00 -0.22 0.00 0.00 54.13 52.00 1itf s LEU 161 Cb 0.00 -2.26 -0.09 0.00 0.50 0.00 0.00 46.19 44.35 1itf s LEU 161 CO 0.03 -0.84 -0.21 0.54 -1.32 0.00 0.00 176.35 174.55 1itf n ARG 162 N 5.21 0.53 -4.16 1.98 5.12 -1.26 -4.98 116.66 119.09 1itf n ARG 162 Ca 0.02 0.37 -0.18 0.00 -1.93 0.00 0.00 57.85 56.12 1itf n ARG 162 Cb 0.44 -1.57 -0.16 0.00 -1.16 0.00 0.00 32.46 30.02 1itf n ARG 162 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1itf s SER 163 N -6.44 0.81 -0.48 0.55 0.15 -1.26 -5.09 113.70 101.94 1itf s SER 163 Ca -0.28 -0.11 0.05 0.00 0.70 0.00 0.00 55.95 56.30 1itf s SER 163 Cb 0.07 -0.31 0.18 0.00 -1.71 0.00 0.00 66.02 64.25 1itf s SER 163 CO 0.42 -0.01 0.40 1.17 1.20 0.00 0.00 173.24 176.42 1itf n LYS 164 N 3.68 0.66 0.00 5.44 4.81 -1.26 -5.25 118.16 126.24 1itf n LYS 164 Ca -0.22 -3.51 0.03 0.00 -0.87 0.00 0.00 58.31 53.74 1itf n LYS 164 Cb 0.53 -1.79 0.02 0.00 0.02 0.00 0.00 35.03 33.82 1itf n LYS 164 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96