#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 3.08 -0.09 0.00 -1.08 -1.26 -4.66 116.67 112.66 1itf s ASP 2 Ca 0.00 -1.89 -0.13 0.00 -0.52 0.00 0.00 52.55 50.02 1itf s ASP 2 Cb 0.00 -0.35 -0.10 0.00 -1.46 0.00 0.00 42.92 41.01 1itf s ASP 2 CO 0.00 -0.35 0.44 -0.07 0.52 0.00 0.00 175.17 175.71 1itf h LEU 3 N 7.45 -0.10 -8.89 -1.34 -0.00 -2.04 -3.43 115.31 106.96 1itf h LEU 3 Ca -0.02 -0.29 -0.57 0.00 -0.00 0.00 0.00 57.88 57.00 1itf h LEU 3 Cb 0.98 0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.63 1itf h LEU 3 CO 0.31 0.51 1.06 -2.16 -0.00 0.00 0.00 178.44 178.16 1itf s PRO 4 N -2.33 3.71 -1.27 1.13 0.04 -1.26 -4.91 135.00 130.11 1itf s PRO 4 Ca -0.08 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 1itf s PRO 4 Cb -0.00 -3.99 -0.01 0.00 0.04 0.00 0.00 34.50 30.54 1itf s PRO 4 CO 0.28 -1.39 2.09 0.00 0.04 0.00 0.00 177.00 178.02 1itf n GLN 5 N 7.78 2.52 -0.03 4.56 10.64 -1.26 -4.37 117.38 137.22 1itf n GLN 5 Ca 0.17 -2.50 0.01 0.00 -1.83 0.00 0.00 57.00 52.85 1itf n GLN 5 Cb 0.47 -3.25 -0.10 0.00 -0.86 0.00 0.00 30.24 26.51 1itf n GLN 5 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1itf n THR 6 N 5.58 0.35 -1.73 -0.39 -2.24 -1.26 -5.01 114.28 109.58 1itf n THR 6 Ca 0.51 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.60 1itf n THR 6 Cb 0.40 -0.17 0.21 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.64 1.08 0.34 4.78 3.76 -1.26 -5.08 115.29 116.27 1itf s HIS 7 Ca -0.05 0.28 0.07 0.00 -0.15 0.00 0.00 55.06 55.21 1itf s HIS 7 Cb 0.06 -4.05 -0.02 0.00 1.11 0.00 0.00 32.58 29.68 1itf s HIS 7 CO 0.52 -3.10 0.32 -1.54 -0.85 0.00 0.00 174.74 170.09 1itf s SER 8 N -4.71 5.39 -0.22 1.40 1.04 -1.26 -5.08 113.70 110.26 1itf s SER 8 Ca 0.75 -0.45 -0.21 0.00 0.48 0.00 0.00 55.95 56.52 1itf s SER 8 Cb -0.04 -1.00 -0.02 0.00 0.10 0.00 0.00 66.02 65.06 1itf s SER 8 CO 0.54 -0.38 0.67 -0.76 0.98 0.00 0.00 173.24 174.29 1itf s LEU 9 N -4.03 4.11 0.25 2.42 1.02 -1.26 -4.92 118.68 116.27 1itf s LEU 9 Ca 0.42 0.83 0.25 0.00 0.02 0.00 0.00 54.13 55.65 1itf s LEU 9 Cb -0.06 -2.93 0.91 0.00 0.02 0.00 0.00 46.19 44.12 1itf s LEU 9 CO 0.27 -0.35 1.75 1.23 0.02 0.00 0.00 176.35 179.28 1itf h GLY 10 N 8.59 0.00 1.86 -3.19 0.00 -1.97 -3.04 103.07 105.32 1itf h GLY 10 Ca -0.29 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1itf h GLY 10 CO 0.79 0.00 0.04 1.76 0.00 0.00 0.00 176.54 179.13 1itf h SER 11 N 0.00 0.16 -0.38 0.19 0.02 -1.95 -0.06 113.55 111.53 1itf h SER 11 Ca 0.00 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1itf h SER 11 Cb 0.55 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1itf h SER 11 CO 0.00 0.16 -0.03 0.03 -1.14 0.00 0.00 176.83 175.85 1itf h ARG 12 N 0.18 0.69 -0.02 3.45 3.08 -1.96 -1.89 114.38 117.91 1itf h ARG 12 Ca 0.05 -0.24 -0.16 0.00 0.07 0.00 0.00 59.98 59.70 1itf h ARG 12 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1itf h ARG 12 CO -0.00 0.81 -0.73 -0.09 -1.07 0.00 0.00 179.97 178.88 1itf h ARG 13 N 0.50 0.14 -0.38 0.04 2.43 -1.57 -1.43 114.38 114.11 1itf h ARG 13 Ca 0.10 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1itf h ARG 13 Cb 0.52 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1itf h ARG 13 CO 0.03 0.81 0.20 1.15 -1.51 0.00 0.00 179.97 180.64 1itf h THR 14 N 0.09 1.16 -0.11 0.20 2.02 -0.88 0.54 112.91 115.93 1itf h THR 14 Ca -0.02 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 66.63 1itf h THR 14 Cb 1.29 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1itf h THR 14 CO 0.11 0.16 -0.43 -0.07 0.37 0.00 0.00 175.52 175.66 1itf h LEU 15 N 0.48 0.26 -1.09 2.58 3.38 -1.30 -2.11 115.31 117.52 1itf h LEU 15 Ca 0.13 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1itf h LEU 15 Cb 0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1itf h LEU 15 CO -0.02 0.67 -0.06 -0.03 0.09 0.00 0.00 178.44 179.09 1itf h MET 16 N 0.21 0.58 -0.45 1.13 4.05 -0.59 -0.90 114.93 118.95 1itf h MET 16 Ca 0.02 -0.15 -0.08 0.00 -0.28 0.00 0.00 59.70 59.21 1itf h MET 16 Cb 0.85 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.56 1itf h MET 16 CO 0.07 0.64 -0.02 -0.07 0.23 0.00 0.00 176.91 177.76 1itf h LEU 17 N 0.54 0.81 -1.45 3.39 3.38 -0.43 -1.85 115.31 119.70 1itf h LEU 17 Ca 0.11 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1itf h LEU 17 Cb 0.43 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1itf h LEU 17 CO 0.02 0.93 0.21 -0.07 0.09 0.00 0.00 178.44 179.62 1itf h LEU 18 N 0.66 0.52 -0.19 1.67 3.38 -0.76 0.97 115.31 121.57 1itf h LEU 18 Ca 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1itf h LEU 18 Cb 0.53 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1itf h LEU 18 CO 0.03 0.44 -0.01 0.00 0.09 0.00 0.00 178.44 178.99 1itf h ALA 19 N 1.64 0.25 0.00 1.53 0.00 -0.73 -2.40 119.26 119.55 1itf h ALA 19 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1itf h ALA 19 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1itf h ALA 19 CO -0.02 -0.02 0.00 1.96 0.00 0.00 0.00 179.25 181.17 1itf h GLN 20 N 0.08 0.00 -1.00 0.00 4.20 -0.81 -2.74 115.11 114.84 1itf h GLN 20 Ca 0.05 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.55 1itf h GLN 20 Cb 0.42 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.07 1itf h GLN 20 CO 0.01 0.00 0.26 -1.33 -0.67 0.00 0.00 178.83 177.11 1itf n MET 21 N -2.92 1.51 -3.63 1.46 2.81 0.29 -4.82 117.12 111.81 1itf n MET 21 Ca 0.00 -1.21 -0.38 0.00 -1.81 0.00 0.00 57.70 54.30 1itf n MET 21 Cb 0.27 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 31.19 1itf n MET 21 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1itf s ARG 22 N -1.33 3.57 -0.12 0.03 3.52 -1.04 -4.94 118.95 118.64 1itf s ARG 22 Ca 0.23 -0.57 0.12 0.00 -0.13 0.00 0.00 55.73 55.38 1itf s ARG 22 Cb 0.19 -3.60 -0.24 0.00 -1.56 0.00 0.00 34.95 29.74 1itf s ARG 22 CO 0.04 -0.33 0.36 1.63 -0.81 0.00 0.00 175.30 176.20 1itf n LYS 23 N 5.02 0.67 -4.45 5.12 4.01 -1.26 -4.98 118.16 122.28 1itf n LYS 23 Ca -0.14 0.17 -0.22 0.00 -0.51 0.00 0.00 58.31 57.62 1itf n LYS 23 Cb 0.50 -1.67 -0.10 0.00 -0.51 0.00 0.00 35.03 33.25 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 -2.55 1.01 0.11 -0.18 -4.36 -1.26 -5.15 121.20 108.82 1itf s ILE 24 Ca -0.10 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.21 1itf s ILE 24 Cb 0.07 -2.69 -0.06 0.00 1.25 0.00 0.00 42.46 41.03 1itf s ILE 24 CO 0.81 0.00 0.40 -0.44 0.24 0.00 0.00 174.94 175.95 1itf s SER 25 N -3.49 6.59 0.38 4.36 0.01 -1.26 -4.98 113.70 115.31 1itf s SER 25 Ca 0.34 0.73 0.09 0.00 1.31 0.00 0.00 55.95 58.42 1itf s SER 25 Cb 0.07 -2.15 0.76 0.00 0.21 0.00 0.00 66.02 64.92 1itf s SER 25 CO 0.15 0.11 1.90 0.25 0.41 0.00 0.00 173.24 176.07 1itf h LEU 26 N 3.33 0.23 -0.72 2.44 5.85 -1.92 -1.67 115.31 122.85 1itf h LEU 26 Ca -0.48 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.11 1itf h LEU 26 Cb 1.18 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1itf h LEU 26 CO 0.69 0.40 0.07 -0.26 -0.34 0.00 0.00 178.44 178.99 1itf h PHE 27 N 0.23 1.12 0.00 1.25 0.04 -2.01 -1.31 116.94 116.27 1itf h PHE 27 Ca 0.05 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.61 1itf h PHE 27 Cb 0.39 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1itf h PHE 27 CO 0.01 0.96 -0.19 0.77 -0.60 0.00 0.00 178.31 179.25 1itf h SER 28 N 0.97 0.00 -1.54 2.17 0.02 -1.73 -2.84 113.55 110.61 1itf h SER 28 Ca 0.19 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.45 1itf h SER 28 Cb 0.47 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.68 1itf h SER 28 CO 0.02 0.19 0.42 0.00 -1.14 0.00 0.00 176.83 176.32 1itf n LEU 30 N -0.63 0.85 0.05 0.00 4.77 -1.06 -3.07 117.00 117.90 1itf n LEU 30 Ca 0.51 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 56.21 1itf n LEU 30 Cb 0.50 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 1itf n LEU 30 CO 0.52 0.15 0.01 0.11 -1.33 0.00 0.00 177.39 176.85 1itf h LYS 31 N 1.20 0.00 -0.15 3.23 1.57 -1.87 -3.30 116.57 117.25 1itf h LYS 31 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1itf h LYS 31 Cb 0.37 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1itf h LYS 31 CO 0.00 0.82 -0.33 -0.25 -0.57 0.00 0.00 179.45 179.13 1itf n ASP 32 N -3.26 2.04 -4.67 0.86 8.00 -1.22 -5.01 116.55 113.28 1itf n ASP 32 Ca -0.04 -3.86 -0.43 0.00 0.71 0.00 0.00 54.79 51.17 1itf n ASP 32 Cb 0.94 -0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 1itf n ASP 32 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1itf s ARG 33 N -3.25 4.33 -0.04 -1.24 3.52 -1.18 -4.74 118.95 116.35 1itf s ARG 33 Ca 0.41 1.39 -0.02 0.00 -0.13 0.00 0.00 55.73 57.38 1itf s ARG 33 Cb 0.39 -3.60 0.03 0.00 -1.56 0.00 0.00 34.95 30.21 1itf s ARG 33 CO -0.04 -0.49 0.05 -1.01 -0.81 0.00 0.00 175.30 173.00 1itf s HIS 34 N 2.65 0.17 0.22 5.12 3.76 -1.26 -5.07 115.29 120.88 1itf s HIS 34 Ca 0.47 0.17 -0.30 0.00 -0.15 0.00 0.00 55.06 55.25 1itf s HIS 34 Cb -0.17 -0.51 -0.08 0.00 1.11 0.00 0.00 32.58 32.92 1itf s HIS 34 CO 0.12 -0.20 1.00 0.34 -0.85 0.00 0.00 174.74 175.14 1itf s ASP 35 N 2.02 7.49 -0.19 1.40 2.15 -1.26 -4.96 116.67 123.32 1itf s ASP 35 Ca 0.03 2.02 -0.12 0.00 0.43 0.00 0.00 52.55 54.91 1itf s ASP 35 Cb -0.12 -2.61 -0.21 0.00 -0.30 0.00 0.00 42.92 39.68 1itf s ASP 35 CO -0.03 0.01 0.14 0.49 -0.17 0.00 0.00 175.17 175.61 1itf n PHE 36 N 1.73 0.86 0.00 -5.34 3.72 -1.26 -5.05 117.46 112.11 1itf n PHE 36 Ca -0.01 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1itf n PHE 36 Cb 0.47 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 1itf n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1itf n GLY 37 N 1.71 0.73 3.74 1.37 0.00 -1.26 -5.06 105.19 106.42 1itf n GLY 37 Ca -0.37 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.19 3.00 -1.44 1.61 5.36 -1.26 -4.88 117.98 119.19 1itf s PHE 38 Ca 0.00 0.84 -0.14 0.00 -0.96 0.00 0.00 56.93 56.67 1itf s PHE 38 Cb 0.00 -3.89 0.03 0.00 -0.34 0.00 0.00 43.02 38.82 1itf s PHE 38 CO 0.00 -3.07 2.23 -0.35 -1.46 0.00 0.00 175.22 172.57 1itf n PRO 39 N 2.91 2.81 0.22 10.12 -0.04 -1.26 -4.62 135.00 145.15 1itf n PRO 39 Ca 0.10 -2.57 0.12 0.00 -0.04 0.00 0.00 63.50 61.11 1itf n PRO 39 Cb 0.39 -3.27 0.28 0.00 -0.04 0.00 0.00 33.50 30.86 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 6.05 0.00 -0.62 0.54 -0.00 -1.93 -3.02 115.11 116.14 1itf h GLN 40 Ca 0.57 0.00 0.13 0.00 -0.00 0.00 0.00 58.65 59.35 1itf h GLN 40 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.08 1itf h GLN 40 CO 1.89 0.06 0.42 1.49 0.00 0.00 0.00 178.83 182.69 1itf h GLU 41 N 0.00 0.28 -1.27 1.69 4.81 -1.98 0.38 114.58 118.49 1itf h GLU 41 Ca -0.00 -0.02 -0.60 0.00 -0.13 0.00 0.00 59.36 58.61 1itf h GLU 41 Cb 0.92 -0.06 -0.25 0.00 0.63 0.00 0.00 28.75 29.99 1itf h GLU 41 CO 0.01 0.18 0.78 -1.91 -0.73 0.00 0.00 179.01 177.34 1itf n GLU 42 N -4.45 2.49 -0.29 1.92 2.13 -1.14 -4.02 120.64 117.27 1itf n GLU 42 Ca 0.11 -2.89 0.00 0.00 0.66 0.00 0.00 57.16 55.04 1itf n GLU 42 Cb 0.49 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.06 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 -0.52 0.00 -0.03 4.31 3.72 0.13 -4.88 117.46 120.19 1itf n PHE 43 Ca 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.94 1itf n PHE 43 Cb 0.59 0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 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 0.00 0.92 2.94 1.37 0.00 -1.22 -4.64 105.19 104.56 1itf n GLY 44 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.49 0.95 -1.04 1.61 2.20 -1.26 -4.77 114.94 112.13 1itf s ASN 45 Ca 0.00 -0.14 -0.03 0.00 -0.94 0.00 0.00 52.86 51.75 1itf s ASN 45 Cb 0.00 -0.32 0.00 0.00 -2.00 0.00 0.00 41.25 38.94 1itf s ASN 45 CO 0.00 0.01 0.43 0.00 -2.94 0.00 0.00 177.10 174.60 1itf n GLN 46 N 3.53 -3.40 -2.24 3.55 6.02 -1.26 -4.92 117.38 118.67 1itf n GLN 46 Ca -0.20 0.61 -0.01 0.00 -0.01 0.00 0.00 57.00 57.39 1itf n GLN 46 Cb 0.54 -4.85 0.05 0.00 1.02 0.00 0.00 30.24 26.99 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 -4.10 0.97 -4.52 1.08 3.72 -1.26 -4.64 117.46 108.70 1itf n PHE 47 Ca -0.07 -1.63 -0.24 0.00 -0.05 0.00 0.00 57.45 55.46 1itf n PHE 47 Cb 0.58 -0.22 -0.10 0.00 -0.94 0.00 0.00 39.48 38.80 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 -2.63 1.79 -1.36 -1.08 -1.52 -1.26 -4.06 119.66 109.55 1itf s GLN 48 Ca 0.32 -2.03 -0.07 0.00 -1.95 0.00 0.00 55.36 51.64 1itf s GLN 48 Cb 0.35 -1.06 0.02 0.00 -0.22 0.00 0.00 33.01 32.10 1itf s GLN 48 CO -0.07 -0.20 1.04 1.63 -0.25 0.00 0.00 175.29 177.43 1itf n LYS 49 N -0.82 -6.74 -2.49 2.91 4.01 -1.26 -3.67 118.16 110.10 1itf n LYS 49 Ca -0.05 0.75 -0.04 0.00 -0.51 0.00 0.00 58.31 58.46 1itf n LYS 49 Cb 0.67 -5.70 0.01 0.00 -0.51 0.00 0.00 35.03 29.49 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 -4.65 -2.84 0.00 7.82 0.00 -1.26 -4.84 120.51 114.74 1itf n ALA 50 Ca -0.09 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1itf n ALA 50 Cb 0.59 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 -0.62 0.00 -0.16 0.00 1.02 -1.24 -4.17 120.64 115.46 1itf n GLU 51 Ca 0.07 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.29 1itf n GLU 51 Cb 0.36 -0.07 0.26 0.00 -0.02 0.00 0.00 31.44 31.97 1itf n GLU 51 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1itf n THR 52 N -2.53 0.43 -0.24 2.62 5.66 -1.26 -4.24 114.28 114.73 1itf n THR 52 Ca 0.00 -0.50 -0.03 0.00 -3.05 0.00 0.00 64.05 60.47 1itf n THR 52 Cb 0.06 0.37 0.08 0.00 -1.55 0.00 0.00 70.33 69.29 1itf n THR 52 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1itf h ILE 53 N 2.53 1.05 0.00 1.09 2.04 -1.89 0.25 117.51 122.58 1itf h ILE 53 Ca 0.00 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1itf h ILE 53 Cb 0.57 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1itf h ILE 53 CO 0.00 0.14 -0.17 1.55 0.00 0.00 0.00 178.15 179.67 1itf h PRO 54 N 0.78 0.00 -0.04 2.37 0.13 -1.84 0.58 132.00 133.98 1itf h PRO 54 Ca 0.28 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.31 1itf h PRO 54 Cb 0.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.21 1itf h PRO 54 CO -0.13 0.17 -0.38 0.28 -0.23 0.00 0.00 178.00 177.71 1itf h VAL 55 N 0.00 1.45 -0.57 1.56 2.07 -1.17 -2.31 116.25 117.28 1itf h VAL 55 Ca -0.00 -1.86 -0.04 0.00 0.82 0.00 0.00 66.70 65.62 1itf h VAL 55 Cb 0.43 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 1itf h VAL 55 CO 0.02 0.53 0.19 -0.07 0.02 0.00 0.00 177.57 178.27 1itf h LEU 56 N -0.20 0.77 -0.22 2.57 3.38 -0.22 0.18 115.31 121.57 1itf h LEU 56 Ca -0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1itf h LEU 56 Cb 1.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1itf h LEU 56 CO 0.08 0.72 0.13 -0.74 0.09 0.00 0.00 178.44 178.72 1itf h HIS 57 N 0.82 0.29 0.00 1.13 2.76 -0.86 0.99 115.15 120.29 1itf h HIS 57 Ca 0.19 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1itf h HIS 57 Cb 0.22 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1itf h HIS 57 CO 0.01 0.25 -0.44 0.93 -1.30 0.00 0.00 177.93 177.38 1itf h GLU 58 N 0.26 0.00 -0.32 5.26 4.39 -1.08 -2.00 114.58 121.08 1itf h GLU 58 Ca 0.08 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 1itf h GLU 58 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1itf h GLU 58 CO -0.01 0.44 -0.31 1.98 -1.16 0.00 0.00 179.01 179.95 1itf h MET 59 N 0.00 0.69 -0.37 2.33 4.05 -0.34 0.35 114.93 121.64 1itf h MET 59 Ca -0.00 -0.31 -0.10 0.00 -0.28 0.00 0.00 59.70 59.00 1itf h MET 59 Cb 0.83 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.61 1itf h MET 59 CO 0.06 0.91 -0.19 0.82 0.23 0.00 0.00 176.91 178.74 1itf h ILE 60 N 0.59 1.26 -0.13 1.77 1.08 -0.39 -0.19 117.51 121.50 1itf h ILE 60 Ca 0.07 -1.26 -0.17 0.00 -0.39 0.00 0.00 64.86 63.11 1itf h ILE 60 Cb 0.82 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1itf h ILE 60 CO 0.07 0.42 -0.62 -0.61 -0.69 0.00 0.00 178.15 176.72 1itf h GLN 61 N 0.63 0.46 -0.42 2.37 5.75 -1.04 0.29 115.11 123.14 1itf h GLN 61 Ca 0.10 -0.32 -0.10 0.00 -0.15 0.00 0.00 58.65 58.18 1itf h GLN 61 Cb 0.67 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1itf h GLN 61 CO 0.05 0.94 -0.12 1.96 -2.65 0.00 0.00 178.83 179.00 1itf h GLN 62 N 0.34 0.83 0.00 1.69 1.08 -0.63 -0.92 115.11 117.49 1itf h GLN 62 Ca -0.01 -0.33 -0.09 0.00 -1.45 0.00 0.00 58.65 56.77 1itf h GLN 62 Cb 1.17 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 1itf h GLN 62 CO 0.11 0.96 -0.43 0.82 -0.95 0.00 0.00 178.83 179.33 1itf h ILE 63 N 0.65 1.05 -0.23 2.54 2.04 -0.94 -0.42 117.51 122.19 1itf h ILE 63 Ca 0.10 -1.65 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 1itf h ILE 63 Cb 0.66 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1itf h ILE 63 CO 0.05 0.43 -0.03 0.15 0.00 0.00 0.00 178.15 178.74 1itf h PHE 64 N 0.00 0.47 -0.04 1.37 3.57 0.17 -0.24 116.94 122.25 1itf h PHE 64 Ca -0.00 -0.09 -0.22 0.00 3.53 0.00 0.00 57.97 61.19 1itf h PHE 64 Cb 0.93 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1itf h PHE 64 CO 0.00 0.63 -0.87 -0.91 -2.23 0.00 0.00 178.31 174.93 1itf h ASN 65 N 0.18 0.57 0.11 0.41 4.21 -1.09 0.48 115.58 120.45 1itf h ASN 65 Ca 0.06 -0.43 -0.03 0.00 1.21 0.00 0.00 56.30 57.11 1itf h ASN 65 Cb 0.46 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1itf h ASN 65 CO 0.02 1.21 -0.13 0.25 -1.29 0.00 0.00 177.43 177.48 1itf h LEU 66 N 0.28 0.05 0.00 1.61 5.85 -1.01 -1.54 115.31 120.56 1itf h LEU 66 Ca -0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1itf h LEU 66 Cb 1.49 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1itf h LEU 66 CO 0.15 0.20 -1.24 0.49 -0.34 0.00 0.00 178.44 177.70 1itf n PHE 67 N -4.35 0.01 0.14 1.25 3.01 -0.11 -4.18 117.46 113.23 1itf n PHE 67 Ca -0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.55 1itf n PHE 67 Cb 0.22 -0.14 0.05 0.00 -0.01 0.00 0.00 39.48 39.61 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 -3.33 4.37 0.87 0.52 -3.36 113.55 112.62 1itf h SER 68 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1itf h SER 68 Cb 0.63 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 62.74 1itf h SER 68 CO 0.00 0.03 0.10 0.35 -0.53 0.00 0.00 176.83 176.78 1itf n THR 69 N -2.83 3.02 0.26 2.23 -2.24 -0.63 -4.68 114.28 109.41 1itf n THR 69 Ca 0.01 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1itf n THR 69 Cb 0.56 -1.12 0.73 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.93 0.00 -0.21 -0.78 1.79 -1.92 0.23 116.57 116.60 1itf h LYS 70 Ca -0.47 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.81 1itf h LYS 70 Cb 1.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1itf h LYS 70 CO 0.53 0.11 -0.64 -0.44 -1.08 0.00 0.00 179.45 177.93 1itf h ASP 71 N 0.00 0.88 0.68 0.86 5.19 -1.95 -1.32 116.42 120.76 1itf h ASP 71 Ca -0.00 -0.51 -0.21 0.00 -0.62 0.00 0.00 57.03 55.69 1itf h ASP 71 Cb 0.30 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1itf h ASP 71 CO 0.01 1.30 -0.95 0.77 -3.12 0.00 0.00 179.24 177.26 1itf h SER 72 N 0.57 0.21 0.07 6.45 4.64 -1.60 -1.21 113.55 122.68 1itf h SER 72 Ca -0.01 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.03 1itf h SER 72 Cb 1.24 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1itf h SER 72 CO 0.13 1.04 -0.27 -1.28 -0.87 0.00 0.00 176.83 175.59 1itf h SER 73 N 0.07 0.32 1.32 4.97 0.87 -0.51 -1.09 113.55 119.51 1itf h SER 73 Ca -0.05 -0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 1itf h SER 73 Cb 1.62 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.47 1itf h SER 73 CO 0.14 0.59 -0.70 0.00 -0.53 0.00 0.00 176.83 176.33 1itf h ALA 74 N 1.44 0.68 -0.07 6.23 0.00 -1.18 -3.27 119.26 123.08 1itf h ALA 74 Ca 0.04 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 1itf h ALA 74 Cb 0.63 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1itf h ALA 74 CO 0.05 0.62 -0.65 0.00 0.00 0.00 0.00 179.25 179.27 1itf h ALA 75 N 1.54 0.77 -1.02 0.00 0.00 -0.55 -3.46 119.26 116.54 1itf h ALA 75 Ca -0.04 -0.57 -0.65 0.00 0.00 0.00 0.00 54.91 53.65 1itf h ALA 75 Cb 1.39 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 1itf h ALA 75 CO 0.05 0.75 -0.55 -1.58 0.00 0.00 0.00 179.25 177.93 1itf s TRP 76 N -3.69 2.19 0.13 0.00 0.52 -0.47 -4.97 118.94 112.65 1itf s TRP 76 Ca -0.04 -0.81 -0.31 0.00 0.02 0.00 0.00 56.10 54.96 1itf s TRP 76 Cb 0.11 -1.71 -0.08 0.00 -1.15 0.00 0.00 33.47 30.65 1itf s TRP 76 CO 0.81 0.32 1.35 -0.51 0.02 0.00 0.00 176.95 178.93 1itf s ASP 77 N -3.81 6.87 0.50 2.95 1.11 -1.26 -4.77 116.67 118.26 1itf s ASP 77 Ca 0.21 2.32 0.23 0.00 0.18 0.00 0.00 52.55 55.49 1itf s ASP 77 Cb 0.06 -2.59 1.33 0.00 1.07 0.00 0.00 42.92 42.78 1itf s ASP 77 CO 0.11 -0.60 2.06 1.05 1.18 0.00 0.00 175.17 178.97 1itf h GLU 78 N 6.42 0.00 0.06 8.23 4.11 -1.96 0.30 114.58 131.74 1itf h GLU 78 Ca -0.43 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.89 1itf h GLU 78 Cb 1.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.47 1itf h GLU 78 CO 0.83 0.13 -0.49 1.15 0.07 0.00 0.00 179.01 180.71 1itf h THR 79 N 0.00 1.57 -0.56 -1.06 2.02 -1.95 0.21 112.91 113.14 1itf h THR 79 Ca -0.00 -2.31 -0.03 0.00 0.77 0.00 0.00 66.41 64.84 1itf h THR 79 Cb 0.31 3.07 -0.03 0.00 -1.74 0.00 0.00 68.15 69.76 1itf h THR 79 CO 0.02 0.64 0.23 -0.07 0.37 0.00 0.00 175.52 176.70 1itf h LEU 80 N -0.50 0.73 -0.54 2.58 3.38 -1.87 -1.06 115.31 118.04 1itf h LEU 80 Ca -0.08 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 1itf h LEU 80 Cb 1.32 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1itf h LEU 80 CO 0.09 0.66 -0.61 -0.07 0.09 0.00 0.00 178.44 178.60 1itf h LEU 81 N 0.80 0.46 -0.31 1.67 3.38 -0.44 -1.51 115.31 119.37 1itf h LEU 81 Ca 0.19 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1itf h LEU 81 Cb 0.15 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1itf h LEU 81 CO -0.02 0.96 0.01 0.44 0.09 0.00 0.00 178.44 179.92 1itf h ASP 82 N 0.30 -0.11 -0.43 -0.43 5.19 0.67 0.49 116.42 122.11 1itf h ASP 82 Ca -0.01 0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.39 1itf h ASP 82 Cb 1.15 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 1itf h ASP 82 CO 0.11 -0.02 -0.03 0.50 -3.12 0.00 0.00 179.24 176.67 1itf h LYS 83 N 0.10 0.85 0.00 3.56 1.63 -1.26 -1.70 116.57 119.75 1itf h LYS 83 Ca 0.15 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 1itf h LYS 83 Cb 0.19 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1itf h LYS 83 CO -0.24 0.87 -0.11 0.35 -3.45 0.00 0.00 179.45 176.87 1itf h PHE 84 N 0.78 0.00 -0.00 1.91 3.57 0.01 0.67 116.94 123.87 1itf h PHE 84 Ca 0.14 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1itf h PHE 84 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1itf h PHE 84 CO 0.03 0.11 -0.05 1.88 -2.23 0.00 0.00 178.31 178.05 1itf h TYR 85 N 0.00 0.06 -0.10 0.41 0.05 0.78 -1.77 116.97 116.40 1itf h TYR 85 Ca -0.00 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 1itf h TYR 85 Cb 0.25 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1itf h TYR 85 CO 0.00 0.81 -0.07 1.15 -1.05 0.00 0.00 178.16 179.00 1itf h THR 86 N -0.71 1.11 -0.30 -2.88 2.02 -1.10 -0.68 112.91 110.37 1itf h THR 86 Ca -0.01 -0.48 -0.18 0.00 0.77 0.00 0.00 66.41 66.51 1itf h THR 86 Cb 0.83 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1itf h THR 86 CO 0.01 0.15 -0.53 -0.08 0.37 0.00 0.00 175.52 175.44 1itf h GLU 87 N 0.14 0.89 -0.39 6.66 4.57 -0.88 0.66 114.58 126.24 1itf h GLU 87 Ca 0.03 -0.55 -0.03 0.00 -1.18 0.00 0.00 59.36 57.63 1itf h GLU 87 Cb 0.22 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1itf h GLU 87 CO 0.01 1.19 0.13 -0.07 -1.18 0.00 0.00 179.01 179.10 1itf h LEU 88 N 0.69 0.56 -1.13 1.64 3.38 -0.48 -1.06 115.31 118.91 1itf h LEU 88 Ca 0.02 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1itf h LEU 88 Cb 1.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1itf h LEU 88 CO 0.12 0.61 -0.42 1.88 0.09 0.00 0.00 178.44 180.72 1itf h TYR 89 N 0.49 0.00 0.04 1.13 -1.99 -1.10 0.11 116.97 115.65 1itf h TYR 89 Ca 0.13 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1itf h TYR 89 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.97 1itf h TYR 89 CO 0.01 0.42 -0.02 0.37 -0.00 0.00 0.00 178.16 178.93 1itf h GLN 90 N 0.00 -0.05 0.00 4.88 -0.00 -0.33 0.15 115.11 119.76 1itf h GLN 90 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 1itf h GLN 90 Cb 0.78 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.27 1itf h GLN 90 CO 0.05 0.23 -0.18 1.96 0.00 0.00 0.00 178.83 180.89 1itf h GLN 91 N -0.33 0.00 -0.12 1.69 1.08 -1.06 -1.68 115.11 114.69 1itf h GLN 91 Ca -0.01 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 1itf h GLN 91 Cb 0.31 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1itf h GLN 91 CO 0.01 0.18 -0.56 -0.07 -0.95 0.00 0.00 178.83 177.44 1itf h LEU 92 N 0.00 0.40 -0.26 1.46 3.38 -0.15 0.66 115.31 120.79 1itf h LEU 92 Ca -0.00 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1itf h LEU 92 Cb 0.45 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1itf h LEU 92 CO 0.02 0.87 -0.27 0.78 0.09 0.00 0.00 178.44 179.94 1itf h ASN 93 N 0.27 0.70 -0.23 -0.43 2.35 0.18 0.14 115.58 118.56 1itf h ASN 93 Ca 0.00 -0.48 -0.04 0.00 -0.55 0.00 0.00 56.30 55.23 1itf h ASN 93 Cb 1.06 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 1itf h ASN 93 CO 0.09 1.03 -0.03 0.44 -1.65 0.00 0.00 177.43 177.32 1itf h ASP 94 N 0.38 0.43 -0.12 5.81 3.32 -1.33 -0.69 116.42 124.21 1itf h ASP 94 Ca 0.04 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 1itf h ASP 94 Cb 0.84 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1itf h ASP 94 CO 0.07 0.66 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.10 1itf h LEU 95 N 0.18 0.41 -0.38 1.55 3.38 -0.85 -2.57 115.31 117.03 1itf h LEU 95 Ca 0.06 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1itf h LEU 95 Cb 0.46 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1itf h LEU 95 CO 0.02 0.55 -0.81 -0.08 0.09 0.00 0.00 178.44 178.20 1itf h GLU 96 N 0.41 0.01 -0.52 1.13 4.81 -0.53 -3.26 114.58 116.63 1itf h GLU 96 Ca 0.08 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1itf h GLU 96 Cb 0.41 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 1itf h GLU 96 CO 0.02 0.82 0.05 0.00 -0.73 0.00 0.00 179.01 179.17 1itf h ALA 97 N 1.18 0.55 -0.46 2.92 0.00 -0.69 0.58 119.26 123.33 1itf h ALA 97 Ca -0.01 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1itf h ALA 97 Cb 1.43 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1itf h ALA 97 CO 0.11 -0.35 0.27 0.00 0.00 0.00 0.00 179.25 179.27 1itf h VAL 99 N 0.60 1.21 0.20 0.00 2.07 -1.16 -3.09 116.25 116.09 1itf h VAL 99 Ca 0.16 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1itf h VAL 99 Cb 0.02 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1itf h VAL 99 CO -0.03 0.29 -0.09 0.40 0.02 0.00 0.00 177.57 178.16 1itf h ILE 100 N 0.61 0.90 -4.04 4.57 2.04 0.53 -3.45 117.51 118.67 1itf h ILE 100 Ca 0.13 -0.72 -0.48 0.00 1.00 0.00 0.00 64.86 64.80 1itf h ILE 100 Cb 0.35 1.31 0.15 0.00 -0.74 0.00 0.00 36.82 37.88 1itf h ILE 100 CO 0.01 0.16 0.24 -1.10 0.00 0.00 0.00 178.15 177.46 1itf s GLN 101 N -4.60 1.09 -0.50 2.37 -1.52 -0.63 -4.92 119.66 110.95 1itf s GLN 101 Ca -0.14 0.74 -0.03 0.00 -1.95 0.00 0.00 55.36 53.98 1itf s GLN 101 Cb 0.02 -1.80 0.15 0.00 -0.22 0.00 0.00 33.01 31.17 1itf s GLN 101 CO 0.58 -2.33 2.50 0.41 -0.25 0.00 0.00 175.29 176.19 1itf n GLY 102 N -1.16 4.58 3.90 3.09 0.00 -1.26 -4.90 105.19 109.44 1itf n GLY 102 Ca 0.07 -1.87 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.83 3.19 -0.23 1.61 1.01 -1.26 -4.92 120.40 116.96 1itf s VAL 103 Ca 0.54 0.14 -0.34 0.00 0.00 0.00 0.00 61.98 62.32 1itf s VAL 103 Cb 0.38 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.31 1itf s VAL 103 CO -0.20 -0.40 2.07 0.61 0.00 0.00 0.00 175.10 177.17 1itf n GLY 104 N -2.88 0.94 3.06 4.51 0.00 -1.26 -4.93 105.19 104.64 1itf n GLY 104 Ca 0.06 0.88 -0.10 0.00 0.00 0.00 0.00 46.02 46.87 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 6.24 0.12 0.13 1.61 1.01 -1.26 -4.59 120.40 123.67 1itf s VAL 105 Ca 1.02 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 1itf s VAL 105 Cb -0.71 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.98 1itf s VAL 105 CO 0.48 -0.54 1.51 0.42 0.00 0.00 0.00 175.10 176.97 1itf s THR 106 N -1.98 2.93 0.07 3.92 -4.23 -1.26 -4.73 115.64 110.36 1itf s THR 106 Ca -0.11 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1itf s THR 106 Cb -0.05 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1itf s THR 106 CO -0.02 0.04 0.00 1.21 -0.54 0.00 0.00 174.62 175.31 1itf n GLU 107 N 4.16 0.00 0.14 3.99 4.07 -1.26 -4.71 120.64 127.04 1itf n GLU 107 Ca 0.13 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.09 1itf n GLU 107 Cb 0.40 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.70 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 0.81 -3.82 6.31 2.02 -2.02 -3.44 112.91 112.77 1itf h THR 108 Ca 0.00 -0.17 -0.45 0.00 0.77 0.00 0.00 66.41 66.56 1itf h THR 108 Cb 0.00 0.91 0.17 0.00 -1.74 0.00 0.00 68.15 67.49 1itf h THR 108 CO 0.00 0.04 0.17 -2.16 0.37 0.00 0.00 175.52 173.94 1itf s PRO 109 N -5.80 0.30 0.00 6.66 0.04 -1.26 -4.94 135.00 129.99 1itf s PRO 109 Ca -0.15 0.57 0.29 0.00 0.04 0.00 0.00 61.00 61.75 1itf s PRO 109 Cb 0.04 -1.72 1.16 0.00 0.04 0.00 0.00 34.50 34.03 1itf s PRO 109 CO 0.64 -2.83 1.85 1.47 0.04 0.00 0.00 177.00 178.16 1itf n LEU 110 N -4.26 0.17 -0.10 -3.56 -0.00 -1.26 -3.51 117.00 104.49 1itf n LEU 110 Ca 0.05 0.29 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 1itf n LEU 110 Cb 0.57 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1itf n LEU 110 CO 0.57 0.04 0.44 1.15 -0.00 0.00 0.00 177.39 179.59 1itf n MET 111 N -1.36 0.98 0.09 1.47 0.00 -1.26 -3.76 117.12 113.28 1itf n MET 111 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.67 1itf n MET 111 Cb 0.31 -1.10 -0.05 0.00 0.00 0.00 0.00 33.22 32.38 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 -0.36 -0.09 3.17 3.64 -1.84 -3.21 116.57 117.88 1itf h LYS 112 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1itf h LYS 112 Cb 0.10 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1itf h LYS 112 CO 0.00 -0.24 0.00 -0.85 -2.27 0.00 0.00 179.45 176.09 1itf n GLU 113 N -5.33 2.66 -0.09 1.90 0.28 -1.26 -4.63 120.64 114.18 1itf n GLU 113 Ca -0.06 -1.90 -0.08 0.00 -0.16 0.00 0.00 57.16 54.96 1itf n GLU 113 Cb 0.25 -1.20 0.08 0.00 1.43 0.00 0.00 31.44 32.00 1itf n GLU 113 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1itf h ASP 114 N 0.53 0.80 -0.59 -1.84 1.82 -1.64 0.54 116.42 116.04 1itf h ASP 114 Ca 0.00 -0.30 -0.06 0.00 -0.39 0.00 0.00 57.03 56.28 1itf h ASP 114 Cb 0.70 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 1itf h ASP 114 CO 0.02 1.01 0.12 0.28 -1.61 0.00 0.00 179.24 179.05 1itf h SER 115 N 0.67 0.91 -0.01 2.28 0.02 -1.82 0.57 113.55 116.17 1itf h SER 115 Ca 0.09 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 1itf h SER 115 Cb 0.76 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1itf h SER 115 CO 0.06 0.93 -0.19 0.40 -1.14 0.00 0.00 176.83 176.89 1itf h ILE 116 N 0.86 1.23 -0.21 3.27 2.04 -1.75 -1.87 117.51 121.08 1itf h ILE 116 Ca 0.18 -1.06 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 1itf h ILE 116 Cb 0.39 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1itf h ILE 116 CO 0.01 0.33 -0.24 -0.07 0.00 0.00 0.00 178.15 178.18 1itf h LEU 117 N 0.33 0.39 -0.18 1.44 3.38 0.12 0.61 115.31 121.40 1itf h LEU 117 Ca 0.06 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1itf h LEU 117 Cb 0.53 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1itf h LEU 117 CO 0.03 0.63 -0.10 0.00 0.09 0.00 0.00 178.44 179.10 1itf h ALA 118 N 1.40 0.25 0.00 1.53 0.00 -0.27 -1.46 119.26 120.70 1itf h ALA 118 Ca 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1itf h ALA 118 Cb 0.62 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1itf h ALA 118 CO 0.04 0.09 -0.12 0.28 0.00 0.00 0.00 179.25 179.54 1itf h VAL 119 N 0.05 0.41 -0.15 0.00 2.07 -1.04 -1.54 116.25 116.05 1itf h VAL 119 Ca 0.04 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1itf h VAL 119 Cb 0.59 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1itf h VAL 119 CO 0.03 0.12 -0.24 -0.09 0.02 0.00 0.00 177.57 177.40 1itf h ARG 120 N 0.00 0.44 -0.08 1.57 2.43 0.82 -0.54 114.38 119.02 1itf h ARG 120 Ca -0.00 -0.26 -0.12 0.00 -0.81 0.00 0.00 59.98 58.79 1itf h ARG 120 Cb 0.45 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1itf h ARG 120 CO 0.02 0.85 -0.48 0.87 -1.51 0.00 0.00 179.97 179.72 1itf h LYS 121 N 0.06 0.20 0.20 0.20 1.57 -1.02 0.11 116.57 117.90 1itf h LYS 121 Ca 0.01 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1itf h LYS 121 Cb 0.82 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1itf h LYS 121 CO 0.06 0.64 -0.10 -0.92 -0.57 0.00 0.00 179.45 178.56 1itf h TYR 122 N 0.17 -0.25 0.00 -1.35 3.20 -1.17 -1.43 116.97 116.13 1itf h TYR 122 Ca 0.01 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1itf h TYR 122 Cb 0.91 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1itf h TYR 122 CO 0.01 -0.02 -0.33 0.74 -1.64 0.00 0.00 178.16 176.92 1itf h PHE 123 N -0.45 0.00 -0.72 -3.82 -1.00 -1.01 -2.03 116.94 107.90 1itf h PHE 123 Ca -0.03 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.70 1itf h PHE 123 Cb 0.34 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 1itf h PHE 123 CO -0.01 0.33 0.25 0.37 -1.61 0.00 0.00 178.31 177.65 1itf h GLN 124 N 0.00 1.11 -0.15 1.51 4.15 -0.46 0.24 115.11 121.51 1itf h GLN 124 Ca -0.00 -0.22 -0.13 0.00 0.77 0.00 0.00 58.65 59.06 1itf h GLN 124 Cb 0.68 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1itf h GLN 124 CO 0.04 0.93 -0.48 -0.09 -1.93 0.00 0.00 178.83 177.31 1itf h ARG 125 N 1.06 0.38 -0.43 1.69 2.43 -0.84 -2.16 114.38 116.51 1itf h ARG 125 Ca 0.24 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1itf h ARG 125 Cb 0.27 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1itf h ARG 125 CO -0.01 0.78 -0.06 0.82 -1.51 0.00 0.00 179.97 179.99 1itf h ILE 126 N 0.31 1.24 -0.36 1.20 2.04 -0.70 0.93 117.51 122.17 1itf h ILE 126 Ca 0.02 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 1itf h ILE 126 Cb 0.95 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1itf h ILE 126 CO 0.08 0.36 -0.04 0.74 0.00 0.00 0.00 178.15 179.30 1itf h THR 127 N 0.67 1.27 -0.30 -0.27 2.02 -0.65 -1.57 112.91 114.08 1itf h THR 127 Ca 0.12 -1.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.16 1itf h THR 127 Cb 0.50 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1itf h THR 127 CO 0.03 0.35 -0.14 0.25 0.37 0.00 0.00 175.52 176.38 1itf h LEU 128 N 0.47 0.51 -0.32 2.58 5.85 -1.14 -1.96 115.31 121.30 1itf h LEU 128 Ca 0.10 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1itf h LEU 128 Cb 0.52 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1itf h LEU 128 CO 0.03 0.68 0.19 0.22 -0.34 0.00 0.00 178.44 179.22 1itf h TYR 129 N 0.48 0.37 -0.66 1.25 3.20 -0.44 0.24 116.97 121.40 1itf h TYR 129 Ca 0.09 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1itf h TYR 129 Cb 0.53 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 1itf h TYR 129 CO 0.02 0.22 0.36 -0.07 -1.64 0.00 0.00 178.16 177.05 1itf h LEU 130 N 0.40 0.82 -1.14 2.82 3.38 -0.93 -0.46 115.31 120.19 1itf h LEU 130 Ca 0.12 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1itf h LEU 130 Cb -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1itf h LEU 130 CO -0.05 0.66 -0.42 0.11 0.09 0.00 0.00 178.44 178.84 1itf h LYS 131 N 0.92 0.00 0.11 1.13 1.79 -0.52 0.60 116.57 120.61 1itf h LYS 131 Ca 0.23 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1itf h LYS 131 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1itf h LYS 131 CO -0.04 0.42 -0.06 1.49 -1.08 0.00 0.00 179.45 180.18 1itf h GLU 132 N 0.00 -0.15 -0.03 3.15 4.81 0.10 -2.91 114.58 119.56 1itf h GLU 132 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1itf h GLU 132 Cb 0.77 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1itf h GLU 132 CO 0.05 0.28 0.00 1.63 -0.73 0.00 0.00 179.01 180.24 1itf n LYS 133 N -4.94 1.16 -3.66 1.92 4.01 -0.62 -4.90 118.16 111.14 1itf n LYS 133 Ca -0.09 -0.25 -0.22 0.00 -0.51 0.00 0.00 58.31 57.25 1itf n LYS 133 Cb 0.25 -1.35 0.05 0.00 -0.51 0.00 0.00 35.03 33.47 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 -0.57 -5.74 -3.49 1.97 4.01 0.50 -2.41 118.16 112.44 1itf n LYS 134 Ca 0.16 0.69 -0.20 0.00 -0.51 0.00 0.00 58.31 58.46 1itf n LYS 134 Cb 0.13 -5.47 0.06 0.00 -0.51 0.00 0.00 35.03 29.25 1itf n LYS 134 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1itf n TYR 135 N -4.38 -2.16 -2.61 2.13 4.01 0.18 -4.97 117.16 109.37 1itf n TYR 135 Ca -0.21 0.81 -0.32 0.00 -0.16 0.00 0.00 57.90 58.01 1itf n TYR 135 Cb 0.64 -4.32 -0.05 0.00 -0.31 0.00 0.00 39.34 35.30 1itf n TYR 135 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1itf s SER 136 N -3.90 6.74 0.25 7.72 0.15 -1.01 -4.89 113.70 118.75 1itf s SER 136 Ca 0.23 1.58 -0.04 0.00 0.70 0.00 0.00 55.95 58.41 1itf s SER 136 Cb -0.05 -2.51 0.28 0.00 -1.71 0.00 0.00 66.02 62.04 1itf s SER 136 CO 0.78 -0.48 1.81 1.55 1.20 0.00 0.00 173.24 178.10 1itf h PRO 137 N 1.36 1.03 -0.19 5.44 0.13 -1.93 0.27 132.00 138.12 1itf h PRO 137 Ca -0.48 -0.19 -0.17 0.00 -0.87 0.00 0.00 66.00 64.29 1itf h PRO 137 Cb 1.18 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1itf h PRO 137 CO 0.62 0.86 -0.59 0.00 -0.23 0.00 0.00 178.00 178.65 1itf h ALA 139 N 0.89 0.78 -0.30 0.00 0.00 -1.70 -1.32 119.26 117.61 1itf h ALA 139 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1itf h ALA 139 Cb 1.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1itf h ALA 139 CO 0.11 0.49 -0.15 -1.49 0.00 0.00 0.00 179.25 178.21 1itf h TRP 140 N 0.86 0.57 -0.43 0.00 4.06 -0.34 -1.00 115.95 119.67 1itf h TRP 140 Ca 0.19 -0.10 -0.07 0.00 2.06 0.00 0.00 58.89 60.97 1itf h TRP 140 Cb 0.34 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 1itf h TRP 140 CO 0.02 0.65 -0.01 1.49 -3.56 0.00 0.00 178.44 177.03 1itf h GLU 141 N 0.48 0.76 -0.66 0.49 4.57 -0.88 0.28 114.58 119.62 1itf h GLU 141 Ca 0.08 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1itf h GLU 141 Cb 0.54 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 1itf h GLU 141 CO 0.03 0.84 0.44 0.28 -1.18 0.00 0.00 179.01 179.42 1itf h VAL 142 N 0.60 1.16 0.00 0.32 2.07 -0.87 -0.56 116.25 118.96 1itf h VAL 142 Ca 0.12 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1itf h VAL 142 Cb 0.51 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1itf h VAL 142 CO 0.02 0.16 -0.34 0.58 0.02 0.00 0.00 177.57 178.02 1itf h VAL 143 N 0.89 1.01 0.14 2.57 2.07 -0.87 -0.27 116.25 121.80 1itf h VAL 143 Ca 0.24 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1itf h VAL 143 Cb -0.10 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1itf h VAL 143 CO -0.06 0.33 -0.07 -0.09 0.02 0.00 0.00 177.57 177.70 1itf h ARG 144 N 0.00 -0.19 -0.02 1.57 9.65 1.00 0.35 114.38 126.74 1itf h ARG 144 Ca -0.00 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1itf h ARG 144 Cb 0.69 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 1itf h ARG 144 CO 0.04 0.12 -0.18 0.00 2.80 0.00 0.00 179.97 182.75 1itf h ALA 145 N 0.29 1.67 -0.00 2.80 0.00 -1.01 0.41 119.26 123.41 1itf h ALA 145 Ca -0.02 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1itf h ALA 145 Cb 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1itf h ALA 145 CO 0.03 0.25 -0.79 0.93 0.00 0.00 0.00 179.25 179.67 1itf h GLU 146 N 0.02 0.02 0.14 0.00 4.39 -0.72 -1.09 114.58 117.33 1itf h GLU 146 Ca 0.00 -0.02 -0.28 0.00 0.34 0.00 0.00 59.36 59.40 1itf h GLU 146 Cb 0.34 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1itf h GLU 146 CO 0.02 0.80 -1.28 0.82 -1.16 0.00 0.00 179.01 178.21 1itf h ILE 147 N 0.01 1.46 -0.14 3.13 1.08 0.56 -0.48 117.51 123.14 1itf h ILE 147 Ca -0.01 -3.03 -0.20 0.00 -0.39 0.00 0.00 64.86 61.23 1itf h ILE 147 Cb 1.40 2.94 0.00 0.00 -3.07 0.00 0.00 36.82 38.09 1itf h ILE 147 CO 0.10 0.88 -0.74 -0.03 -0.69 0.00 0.00 178.15 177.68 1itf h MET 148 N 0.08 0.65 -0.03 2.37 4.05 -0.97 0.29 114.93 121.36 1itf h MET 148 Ca -0.15 -0.52 -0.02 0.00 -0.28 0.00 0.00 59.70 58.73 1itf h MET 148 Cb 1.99 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 32.89 1itf h MET 148 CO 0.21 1.14 -0.06 -0.09 0.23 0.00 0.00 176.91 178.34 1itf h ARG 149 N 0.45 0.10 -0.75 0.39 2.43 -1.25 -0.84 114.38 114.90 1itf h ARG 149 Ca -0.04 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1itf h ARG 149 Cb 1.34 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.86 1itf h ARG 149 CO 0.14 0.62 0.43 0.66 -1.51 0.00 0.00 179.97 180.30 1itf h SER 150 N -0.41 0.91 -0.40 -3.80 4.64 -1.11 0.91 113.55 114.29 1itf h SER 150 Ca 0.00 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.15 1itf h SER 150 Cb 0.61 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1itf h SER 150 CO 0.01 0.72 -0.17 0.15 -0.87 0.00 0.00 176.83 176.68 1itf h PHE 151 N 1.04 0.93 -0.22 4.77 3.57 -0.89 -0.54 116.94 125.60 1itf h PHE 151 Ca 0.27 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1itf h PHE 151 Cb -0.00 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1itf h PHE 151 CO 0.01 0.97 -0.18 0.77 -2.23 0.00 0.00 178.31 177.65 1itf h SER 152 N 0.63 0.36 0.17 0.41 0.02 -0.64 0.44 113.55 114.94 1itf h SER 152 Ca 0.09 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1itf h SER 152 Cb 0.71 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1itf h SER 152 CO 0.05 0.56 -0.46 -0.07 -1.14 0.00 0.00 176.83 175.77 1itf h LEU 153 N 0.34 0.37 -0.14 5.07 3.38 -0.47 0.33 115.31 124.19 1itf h LEU 153 Ca 0.06 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1itf h LEU 153 Cb 0.52 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1itf h LEU 153 CO 0.03 0.78 -0.70 0.28 0.09 0.00 0.00 178.44 178.93 1itf h SER 154 N 0.28 0.00 -0.11 -0.43 0.02 -0.49 -3.23 113.55 109.59 1itf h SER 154 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1itf h SER 154 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1itf h SER 154 CO 0.08 0.70 0.00 0.35 -1.14 0.00 0.00 176.83 176.82 1itf n THR 155 N -3.34 0.12 1.22 -2.27 -2.24 0.09 -4.27 114.28 103.59 1itf n THR 155 Ca 0.01 -0.53 0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1itf n THR 155 Cb 0.79 1.30 0.60 0.00 -2.10 0.00 0.00 70.33 70.92 1itf n THR 155 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1itf n ASN 156 N 1.28 0.00 -0.19 3.42 0.23 0.11 -3.65 115.26 116.47 1itf n ASN 156 Ca 0.16 -0.44 -0.00 0.00 -0.53 0.00 0.00 54.58 53.77 1itf n ASN 156 Cb 0.58 -0.10 0.10 0.00 -2.08 0.00 0.00 39.78 38.28 1itf n ASN 156 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1itf h LEU 157 N 0.00 0.04 -0.81 -4.53 -0.00 -1.80 0.25 115.31 108.46 1itf h LEU 157 Ca 0.00 0.10 -0.07 0.00 -0.00 0.00 0.00 57.88 57.91 1itf h LEU 157 Cb 0.07 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1itf h LEU 157 CO 0.00 0.03 -0.35 0.06 -0.00 0.00 0.00 178.44 178.19 1itf h GLN 158 N 0.28 0.00 0.00 1.13 -0.00 -1.85 -2.74 115.11 111.93 1itf h GLN 158 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 1itf h GLN 158 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.91 1itf h GLN 158 CO -0.37 0.35 0.00 1.49 -0.00 0.00 0.00 178.83 180.30 1itf h GLU 159 N 0.00 0.00 0.05 0.06 4.81 -0.78 -3.26 114.58 115.46 1itf h GLU 159 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1itf h GLU 159 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1itf h GLU 159 CO 0.05 0.00 -0.02 0.77 -0.73 0.00 0.00 179.01 179.07 1itf h SER 160 N 0.00 -0.06 -3.46 1.04 0.02 -0.70 -3.44 113.55 106.95 1itf h SER 160 Ca 0.00 -0.24 -0.63 0.00 -0.84 0.00 0.00 61.79 60.08 1itf h SER 160 Cb 0.55 0.02 -0.19 0.00 0.14 0.00 0.00 62.40 62.91 1itf h SER 160 CO 0.00 0.54 -0.60 -0.76 -1.14 0.00 0.00 176.83 174.87 1itf s LEU 161 N -8.57 3.58 -0.02 5.07 1.43 -1.23 -5.01 118.68 113.93 1itf s LEU 161 Ca -0.06 -0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 1itf s LEU 161 Cb -0.01 -1.92 -0.12 0.00 0.03 0.00 0.00 46.19 44.18 1itf s LEU 161 CO 0.21 0.08 0.85 0.03 0.23 0.00 0.00 176.35 177.75 1itf h ARG 162 N 7.37 -0.66 -4.74 1.70 3.08 -1.86 -3.44 114.38 115.82 1itf h ARG 162 Ca -0.36 0.05 -0.41 0.00 0.07 0.00 0.00 59.98 59.32 1itf h ARG 162 Cb 1.18 0.15 -0.29 0.00 0.08 0.00 0.00 29.97 31.08 1itf h ARG 162 CO 0.63 -0.42 -0.78 0.45 -1.07 0.00 0.00 179.97 178.78 1itf s SER 163 N -4.77 1.14 -0.41 7.04 0.15 -1.26 -5.06 113.70 110.53 1itf s SER 163 Ca -0.11 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.40 1itf s SER 163 Cb 0.01 -0.17 0.16 0.00 -1.71 0.00 0.00 66.02 64.31 1itf s SER 163 CO 0.33 0.11 0.39 -0.54 1.20 0.00 0.00 173.24 174.73 1itf s LYS 164 N -0.12 0.80 0.00 5.44 -0.14 -1.26 -5.25 119.74 119.21 1itf s LYS 164 Ca 0.02 -1.50 0.24 0.00 -1.36 0.00 0.00 55.97 53.37 1itf s LYS 164 Cb -0.05 -1.01 1.40 0.00 -1.68 0.00 0.00 37.83 36.50 1itf s LYS 164 CO -0.00 -1.30 1.77 -1.91 -0.76 0.00 0.00 175.35 173.15