#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 5.28 -0.05 0.00 8.00 -1.26 -4.79 116.55 123.73 1itf n ASP 2 Ca 0.00 -3.04 -0.12 0.00 0.71 0.00 0.00 54.79 52.34 1itf n ASP 2 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 41.12 39.52 1itf n ASP 2 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1itf h LEU 3 N 8.70 0.29-10.38 0.64 -0.00 -2.01 -3.45 115.31 109.09 1itf h LEU 3 Ca 0.32 -0.37 -0.45 0.00 -0.00 0.00 0.00 57.88 57.39 1itf h LEU 3 Cb 0.79 -0.08 0.16 0.00 -0.00 0.00 0.00 40.66 41.53 1itf h LEU 3 CO 1.33 0.58 0.20 -2.16 -0.00 0.00 0.00 178.44 178.39 1itf s PRO 4 N -4.75 0.27 -1.35 1.13 0.04 -1.26 -4.90 135.00 124.18 1itf s PRO 4 Ca -0.14 0.39 -0.16 0.00 0.04 0.00 0.00 61.00 61.13 1itf s PRO 4 Cb 0.05 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.93 1itf s PRO 4 CO 0.72 -2.81 1.90 1.04 0.04 0.00 0.00 177.00 177.90 1itf n GLN 5 N -4.21 3.09 -2.83 4.56 6.02 -1.26 -4.70 117.38 118.04 1itf n GLN 5 Ca 0.06 -3.06 -0.24 0.00 -0.01 0.00 0.00 57.00 53.75 1itf n GLN 5 Cb 0.58 -3.41 -0.02 0.00 1.02 0.00 0.00 30.24 28.41 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 5.88 2.12 -2.82 5.09 -2.24 -1.26 -5.07 114.28 115.97 1itf n THR 6 Ca 0.50 -4.99 -0.19 0.00 -2.27 0.00 0.00 64.05 57.10 1itf n THR 6 Cb 0.43 -0.96 0.02 0.00 -2.10 0.00 0.00 70.33 67.73 1itf n THR 6 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1itf s HIS 7 N -3.28 2.83 0.00 4.78 -3.43 -1.26 -5.07 115.29 109.86 1itf s HIS 7 Ca 0.45 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.50 1itf s HIS 7 Cb 0.34 -2.57 0.00 0.00 -1.43 0.00 0.00 32.58 28.92 1itf s HIS 7 CO -0.12 -0.65 0.00 -1.13 -2.00 0.00 0.00 174.74 170.83 1itf n SER 8 N -2.10 0.00 -2.86 7.38 3.41 -1.26 -5.03 113.62 113.15 1itf n SER 8 Ca 0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.35 1itf n SER 8 Cb 0.59 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 1itf n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itf n LEU 9 N 0.00 7.08 -0.04 1.04 -0.00 -1.26 -4.60 117.00 119.22 1itf n LEU 9 Ca 0.00 -4.53 -0.14 0.00 -0.00 0.00 0.00 56.01 51.35 1itf n LEU 9 Cb 0.00 -1.20 -0.09 0.00 -0.00 0.00 0.00 43.42 42.13 1itf n LEU 9 CO 0.00 1.82 0.56 1.23 -0.00 0.00 0.00 177.39 181.00 1itf h GLY 10 N 3.95 0.25 1.51 1.47 0.00 -1.99 -1.08 103.07 107.18 1itf h GLY 10 Ca 0.50 -0.28 -0.22 0.00 0.00 0.00 0.00 47.33 47.33 1itf h GLY 10 CO 1.15 0.26 -0.88 0.23 0.00 0.00 0.00 176.54 177.30 1itf h SER 11 N -0.24 0.57 -0.06 0.19 0.87 -1.99 -2.64 113.55 110.26 1itf h SER 11 Ca 0.01 -0.43 -0.06 0.00 -1.23 0.00 0.00 61.79 60.07 1itf h SER 11 Cb 0.70 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1itf h SER 11 CO 0.03 1.21 -0.14 0.03 -0.53 0.00 0.00 176.83 177.43 1itf h ARG 12 N 0.28 0.38 -0.21 2.24 3.08 -1.87 -0.28 114.38 117.99 1itf h ARG 12 Ca -0.07 -0.10 -0.19 0.00 0.07 0.00 0.00 59.98 59.69 1itf h ARG 12 Cb 1.50 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.51 1itf h ARG 12 CO 0.15 0.52 -0.59 -0.09 -1.07 0.00 0.00 179.97 178.89 1itf h ARG 13 N 0.36 0.77 -0.71 0.04 9.65 -1.15 0.13 114.38 123.47 1itf h ARG 13 Ca 0.07 -0.55 -0.01 0.00 -1.10 0.00 0.00 59.98 58.39 1itf h ARG 13 Cb 0.46 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.09 1itf h ARG 13 CO 0.03 1.17 0.41 1.15 2.80 0.00 0.00 179.97 185.53 1itf h THR 14 N 0.51 1.21 -0.03 0.20 2.02 -1.08 -0.21 112.91 115.52 1itf h THR 14 Ca -0.01 -0.49 -0.12 0.00 0.77 0.00 0.00 66.41 66.56 1itf h THR 14 Cb 1.21 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1itf h THR 14 CO 0.13 0.22 -0.52 -0.07 0.37 0.00 0.00 175.52 175.65 1itf h LEU 15 N 0.97 0.09 -1.24 2.58 3.38 -0.98 -2.10 115.31 118.01 1itf h LEU 15 Ca 0.25 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1itf h LEU 15 Cb -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1itf h LEU 15 CO -0.04 0.60 0.06 -0.03 0.09 0.00 0.00 178.44 179.11 1itf h MET 16 N 0.06 0.58 -0.54 1.13 4.05 0.40 -1.12 114.93 119.50 1itf h MET 16 Ca -0.00 -0.11 -0.05 0.00 -0.28 0.00 0.00 59.70 59.26 1itf h MET 16 Cb 0.95 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.64 1itf h MET 16 CO 0.07 0.56 0.14 -0.07 0.23 0.00 0.00 176.91 177.84 1itf h LEU 17 N 0.56 0.81 -1.97 3.39 3.38 -0.43 -1.59 115.31 119.46 1itf h LEU 17 Ca 0.13 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1itf h LEU 17 Cb 0.27 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1itf h LEU 17 CO 0.00 0.83 0.05 -0.07 0.09 0.00 0.00 178.44 179.34 1itf h LEU 18 N 0.75 0.04 -0.41 1.67 3.38 -0.74 -0.19 115.31 119.82 1itf h LEU 18 Ca 0.17 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 1itf h LEU 18 Cb 0.33 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1itf h LEU 18 CO 0.00 0.03 -0.74 0.00 0.09 0.00 0.00 178.44 177.82 1itf h ALA 19 N 1.96 0.61 -0.18 1.53 0.00 -0.38 -2.88 119.26 119.92 1itf h ALA 19 Ca 0.03 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 1itf h ALA 19 Cb 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1itf h ALA 19 CO -0.00 0.77 -0.07 1.96 0.00 0.00 0.00 179.25 181.91 1itf h GLN 20 N 0.25 0.37 0.00 0.00 4.20 -0.19 -2.86 115.11 116.87 1itf h GLN 20 Ca -0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1itf h GLN 20 Cb 1.31 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.08 1itf h GLN 20 CO 0.12 0.66 -0.06 0.00 -0.67 0.00 0.00 178.83 178.89 1itf h MET 21 N 0.07 0.00 -6.01 1.46 -0.00 -1.28 -3.42 114.93 105.75 1itf h MET 21 Ca 0.04 0.00 -0.68 0.00 -0.00 0.00 0.00 59.70 59.06 1itf h MET 21 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.12 1itf h MET 21 CO 0.02 0.06 1.37 -2.13 -0.00 0.00 0.00 176.91 176.23 1itf n ARG 22 N -3.89 0.99 -0.05 -0.10 0.63 -1.08 -4.72 116.66 108.45 1itf n ARG 22 Ca -0.03 0.28 -0.19 0.00 -0.92 0.00 0.00 57.85 57.00 1itf n ARG 22 Cb 0.15 -2.34 -0.13 0.00 0.45 0.00 0.00 32.46 30.58 1itf n ARG 22 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1itf n LYS 23 N 7.93 0.71 -4.06 -0.14 5.02 -1.26 -4.97 118.16 121.39 1itf n LYS 23 Ca 0.41 0.21 -0.23 0.00 -2.02 0.00 0.00 58.31 56.68 1itf n LYS 23 Cb 0.20 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.50 1itf n LYS 23 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1itf s ILE 24 N -2.55 2.75 0.10 -0.18 -4.36 -1.26 -5.12 121.20 110.58 1itf s ILE 24 Ca -0.24 -1.67 -0.15 0.00 -0.26 0.00 0.00 60.65 58.33 1itf s ILE 24 Cb 0.07 -2.98 -0.06 0.00 1.25 0.00 0.00 42.46 40.74 1itf s ILE 24 CO 0.72 -0.11 0.51 -0.44 0.24 0.00 0.00 174.94 175.86 1itf s SER 25 N -3.89 6.84 0.32 4.36 0.01 -1.26 -4.97 113.70 115.11 1itf s SER 25 Ca 0.40 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.71 1itf s SER 25 Cb -0.01 -2.28 0.54 0.00 0.21 0.00 0.00 66.02 64.48 1itf s SER 25 CO 0.23 0.18 1.97 0.25 0.41 0.00 0.00 173.24 176.28 1itf h LEU 26 N 3.96 0.86 -0.82 2.44 5.85 -1.92 -0.89 115.31 124.78 1itf h LEU 26 Ca -0.49 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.22 1itf h LEU 26 Cb 1.20 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1itf h LEU 26 CO 0.65 0.60 0.54 -0.26 -0.34 0.00 0.00 178.44 179.63 1itf h PHE 27 N 1.00 1.05 -0.21 1.25 0.04 -2.00 0.12 116.94 118.19 1itf h PHE 27 Ca 0.30 0.02 0.04 0.00 2.80 0.00 0.00 57.97 61.13 1itf h PHE 27 Cb -0.02 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.77 1itf h PHE 27 CO -0.00 0.67 0.15 1.03 -0.60 0.00 0.00 178.31 179.56 1itf h SER 28 N 1.12 0.11 -1.96 2.17 0.87 -1.57 -2.04 113.55 112.25 1itf h SER 28 Ca 0.30 -0.00 -0.74 0.00 -1.23 0.00 0.00 61.79 60.12 1itf h SER 28 Cb -0.11 -0.03 -0.30 0.00 -0.44 0.00 0.00 62.40 61.52 1itf h SER 28 CO -0.06 0.08 0.68 0.00 -0.53 0.00 0.00 176.83 177.00 1itf n LEU 30 N -0.45 1.65 -0.03 0.00 4.32 -0.77 -3.50 117.00 118.21 1itf n LEU 30 Ca 0.50 -0.83 0.05 0.00 -0.02 0.00 0.00 56.01 55.70 1itf n LEU 30 Cb 0.32 -0.26 -0.14 0.00 -1.62 0.00 0.00 43.42 41.72 1itf n LEU 30 CO 0.47 0.35 -0.80 0.29 -1.22 0.00 0.00 177.39 176.49 1itf n LYS 31 N 0.24 0.73 -0.60 3.23 5.02 -1.26 -4.41 118.16 121.11 1itf n LYS 31 Ca 0.09 -0.12 0.02 0.00 -2.02 0.00 0.00 58.31 56.28 1itf n LYS 31 Cb 0.30 -1.42 0.22 0.00 -0.02 0.00 0.00 35.03 34.11 1itf n LYS 31 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1itf n ASP 32 N -2.25 3.16 -4.56 4.39 8.00 -1.23 -4.96 116.55 119.11 1itf n ASP 32 Ca -0.09 -3.37 -0.41 0.00 0.71 0.00 0.00 54.79 51.62 1itf n ASP 32 Cb 0.61 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1itf n ASP 32 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1itf s ARG 33 N -3.03 3.19 -0.13 -1.24 0.52 -1.25 -4.85 118.95 112.15 1itf s ARG 33 Ca 0.43 0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.71 1itf s ARG 33 Cb 0.37 -4.17 0.03 0.00 0.52 0.00 0.00 34.95 31.70 1itf s ARG 33 CO 0.04 -2.11 -0.05 -1.01 0.02 0.00 0.00 175.30 172.19 1itf s HIS 34 N 6.10 1.47 0.27 -0.53 3.76 -1.26 -5.12 115.29 119.97 1itf s HIS 34 Ca 0.44 -0.83 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 1itf s HIS 34 Cb -0.09 -1.21 -0.09 0.00 1.11 0.00 0.00 32.58 32.29 1itf s HIS 34 CO 0.19 -0.54 1.16 0.34 -0.85 0.00 0.00 174.74 175.04 1itf s ASP 35 N 1.71 7.13 -0.16 1.40 2.15 -1.26 -4.96 116.67 122.69 1itf s ASP 35 Ca 0.03 2.34 -0.14 0.00 0.43 0.00 0.00 52.55 55.21 1itf s ASP 35 Cb -0.14 -2.63 -0.23 0.00 -0.30 0.00 0.00 42.92 39.63 1itf s ASP 35 CO -0.08 -0.27 0.30 -0.26 -0.17 0.00 0.00 175.17 174.69 1itf h PHE 36 N 4.06 0.26 0.00 -5.34 0.04 -1.99 -3.50 116.94 110.47 1itf h PHE 36 Ca -0.47 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.11 1itf h PHE 36 Cb 1.21 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1itf h PHE 36 CO 0.59 1.65 0.00 0.41 -0.60 0.00 0.00 178.31 180.36 1itf n GLY 37 N 1.72 0.71 3.72 -1.45 0.00 -1.26 -5.06 105.19 103.57 1itf n GLY 37 Ca -0.32 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.27 3.28 -1.31 1.61 5.36 -1.26 -4.82 117.98 120.57 1itf s PHE 38 Ca 0.00 1.11 -0.14 0.00 -0.96 0.00 0.00 56.93 56.94 1itf s PHE 38 Cb 0.00 -3.61 0.11 0.00 -0.34 0.00 0.00 43.02 39.18 1itf s PHE 38 CO 0.00 -2.02 1.80 -0.35 -1.46 0.00 0.00 175.22 173.19 1itf n PRO 39 N 3.37 3.26 0.14 10.12 -0.04 -1.26 -4.70 135.00 145.88 1itf n PRO 39 Ca 0.09 -3.33 0.13 0.00 -0.04 0.00 0.00 63.50 60.34 1itf n PRO 39 Cb 0.43 -3.21 0.40 0.00 -0.04 0.00 0.00 33.50 31.08 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 6.70 0.00 -0.40 0.54 4.15 -1.95 -3.12 115.11 121.02 1itf h GLN 40 Ca 0.43 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.92 1itf h GLN 40 Cb 0.77 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 1itf h GLN 40 CO 1.54 0.00 0.28 0.93 -1.93 0.00 0.00 178.83 179.64 1itf h GLU 41 N 0.00 0.25 -1.14 1.69 3.07 -1.96 0.13 114.58 116.62 1itf h GLU 41 Ca 0.00 -0.02 -0.59 0.00 -0.50 0.00 0.00 59.36 58.25 1itf h GLU 41 Cb 0.70 -0.06 -0.25 0.00 -0.84 0.00 0.00 28.75 28.30 1itf h GLU 41 CO 0.00 0.17 0.76 -1.91 -1.40 0.00 0.00 179.01 176.63 1itf n GLU 42 N -4.47 2.47 0.10 2.33 4.07 -1.18 -3.65 120.64 120.31 1itf n GLU 42 Ca 0.05 -2.86 0.00 0.00 -0.06 0.00 0.00 57.16 54.30 1itf n GLU 42 Cb 0.29 -2.12 0.00 0.00 -0.06 0.00 0.00 31.44 29.55 1itf n GLU 42 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1itf n PHE 43 N -0.59 -1.84 0.35 4.31 3.72 0.37 -4.82 117.46 118.96 1itf n PHE 43 Ca 0.55 0.36 0.14 0.00 -0.05 0.00 0.00 57.45 58.45 1itf n PHE 43 Cb 0.64 0.79 0.54 0.00 -0.94 0.00 0.00 39.48 40.51 1itf n PHE 43 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1itf h GLY 44 N 0.00 0.00 -4.93 1.37 0.00 -1.60 -3.36 103.07 94.56 1itf h GLY 44 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 1itf h GLY 44 CO 0.00 0.00 -0.77 -1.31 0.00 0.00 0.00 176.54 174.46 1itf s ASN 45 N -5.02 4.06 -0.84 0.19 -0.87 -1.24 -4.52 114.94 106.69 1itf s ASN 45 Ca 0.04 -0.19 0.00 0.00 -1.57 0.00 0.00 52.86 51.14 1itf s ASN 45 Cb 0.09 -0.87 0.00 0.00 -0.02 0.00 0.00 41.25 40.45 1itf s ASN 45 CO 0.49 0.35 0.00 0.00 -2.57 0.00 0.00 177.10 175.37 1itf n GLN 46 N 2.31 -0.86 -3.70 -0.60 3.00 -1.26 -4.68 117.38 111.59 1itf n GLN 46 Ca -0.17 0.71 -0.13 0.00 -0.01 0.00 0.00 57.00 57.40 1itf n GLN 46 Cb 0.52 -4.64 -0.13 0.00 0.00 0.00 0.00 30.24 26.00 1itf n GLN 46 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1itf s PHE 47 N -2.14 -0.39 -0.29 1.08 0.08 -1.26 -4.95 117.98 110.12 1itf s PHE 47 Ca 0.00 0.90 -0.22 0.00 0.12 0.00 0.00 56.93 57.73 1itf s PHE 47 Cb 0.00 0.03 0.14 0.00 -0.57 0.00 0.00 43.02 42.62 1itf s PHE 47 CO 0.00 -0.29 1.06 1.14 -0.10 0.00 0.00 175.22 177.03 1itf s GLN 48 N 1.77 0.42 -0.48 0.44 -2.07 -1.26 -4.79 119.66 113.69 1itf s GLN 48 Ca -0.05 0.56 -0.15 0.00 -1.82 0.00 0.00 55.36 53.90 1itf s GLN 48 Cb -0.11 0.17 0.02 0.00 -1.09 0.00 0.00 33.01 32.00 1itf s GLN 48 CO -0.09 -0.06 0.62 1.63 -1.32 0.00 0.00 175.29 176.07 1itf n LYS 49 N 2.60 -2.21 -2.87 9.60 5.02 -1.26 -4.39 118.16 124.64 1itf n LYS 49 Ca -0.14 1.99 -0.05 0.00 -2.02 0.00 0.00 58.31 58.09 1itf n LYS 49 Cb 0.56 -5.49 0.01 0.00 -0.02 0.00 0.00 35.03 30.09 1itf n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1itf n ALA 50 N -0.52 -2.82 0.00 7.82 0.00 -1.26 -4.86 120.51 118.86 1itf n ALA 50 Ca 0.09 0.74 0.00 0.00 0.00 0.00 0.00 53.44 54.27 1itf n ALA 50 Cb 0.48 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.04 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 -0.81 0.00 0.00 0.00 1.02 -1.26 -3.46 120.64 116.13 1itf n GLU 51 Ca 0.07 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.36 1itf n GLU 51 Cb 0.46 -0.07 0.69 0.00 -0.02 0.00 0.00 31.44 32.50 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 -2.26 0.00 -0.27 2.62 -2.24 -1.26 -4.12 114.28 106.75 1itf n THR 52 Ca 0.00 -0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.80 1itf n THR 52 Cb 0.00 -0.36 0.12 0.00 -2.10 0.00 0.00 70.33 67.99 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 0.15 0.25 -0.52 2.28 2.04 -1.94 1.10 117.51 120.87 1itf h ILE 53 Ca 0.00 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1itf h ILE 53 Cb 0.33 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1itf h ILE 53 CO 0.00 0.00 0.10 1.55 0.00 0.00 0.00 178.15 179.80 1itf h PRO 54 N 0.03 0.82 -0.28 2.37 0.13 -1.85 0.17 132.00 133.38 1itf h PRO 54 Ca 0.39 -0.18 -0.15 0.00 -0.87 0.00 0.00 66.00 65.19 1itf h PRO 54 Cb 0.64 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1itf h PRO 54 CO -0.77 0.76 -0.44 0.28 -0.23 0.00 0.00 178.00 177.60 1itf h VAL 55 N 0.78 1.29 0.00 1.56 2.07 -0.52 -2.29 116.25 119.15 1itf h VAL 55 Ca 0.17 -1.63 -0.08 0.00 0.82 0.00 0.00 66.70 65.98 1itf h VAL 55 Cb 0.33 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1itf h VAL 55 CO 0.00 0.52 -0.39 -0.07 0.02 0.00 0.00 177.57 177.65 1itf h LEU 56 N 0.58 0.00 0.04 2.57 3.38 0.16 0.28 115.31 122.31 1itf h LEU 56 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1itf h LEU 56 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1itf h LEU 56 CO 0.09 0.39 -0.02 -0.74 0.09 0.00 0.00 178.44 178.26 1itf h HIS 57 N 0.00 -0.04 0.00 1.13 2.76 -0.28 -0.41 115.15 118.30 1itf h HIS 57 Ca -0.00 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.05 1itf h HIS 57 Cb 0.70 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 1itf h HIS 57 CO 0.00 0.35 -0.53 1.49 -1.30 0.00 0.00 177.93 177.94 1itf h GLU 58 N -0.45 0.00 -0.14 5.26 4.57 -1.34 -1.42 114.58 121.07 1itf h GLU 58 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1itf h GLU 58 Cb 0.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1itf h GLU 58 CO 0.01 0.53 0.00 1.98 -1.18 0.00 0.00 179.01 180.35 1itf h MET 59 N 0.00 0.25 0.00 1.92 4.05 -0.86 0.83 114.93 121.12 1itf h MET 59 Ca -0.01 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 1itf h MET 59 Cb 0.99 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.76 1itf h MET 59 CO 0.07 0.48 -0.20 0.82 0.23 0.00 0.00 176.91 178.31 1itf h ILE 60 N -0.01 0.64 -0.07 1.77 2.04 -0.98 -0.27 117.51 120.62 1itf h ILE 60 Ca 0.04 -0.87 -0.20 0.00 1.00 0.00 0.00 64.86 64.83 1itf h ILE 60 Cb 0.37 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1itf h ILE 60 CO 0.01 0.19 -0.77 -0.61 0.00 0.00 0.00 178.15 176.96 1itf h GLN 61 N 0.00 0.45 -0.42 2.37 -0.00 -0.84 0.18 115.11 116.85 1itf h GLN 61 Ca -0.00 -0.39 -0.14 0.00 -0.00 0.00 0.00 58.65 58.12 1itf h GLN 61 Cb 0.54 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.10 1itf h GLN 61 CO 0.03 1.03 -0.28 1.96 0.00 0.00 0.00 178.83 181.56 1itf h GLN 62 N 0.30 0.92 -0.12 1.69 1.08 0.06 -2.01 115.11 117.03 1itf h GLN 62 Ca -0.04 -0.42 -0.14 0.00 -1.45 0.00 0.00 58.65 56.60 1itf h GLN 62 Cb 1.37 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 1itf h GLN 62 CO 0.14 1.08 -0.54 0.82 -0.95 0.00 0.00 178.83 179.37 1itf h ILE 63 N 0.78 1.35 -0.74 2.54 2.04 -1.00 -0.17 117.51 122.31 1itf h ILE 63 Ca 0.09 -1.82 0.01 0.00 1.00 0.00 0.00 64.86 64.14 1itf h ILE 63 Cb 0.85 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 1itf h ILE 63 CO 0.08 0.55 0.49 0.15 0.00 0.00 0.00 178.15 179.41 1itf h PHE 64 N 0.26 0.92 0.18 1.37 3.57 -0.25 -0.39 116.94 122.59 1itf h PHE 64 Ca 0.00 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.27 1itf h PHE 64 Cb 1.04 -0.31 0.03 0.00 2.79 0.00 0.00 35.95 39.50 1itf h PHE 64 CO 0.03 0.56 -1.10 -0.97 -2.23 0.00 0.00 178.31 174.60 1itf h ASN 65 N 0.98 0.66 -0.58 0.41 -0.73 -1.24 0.17 115.58 115.25 1itf h ASN 65 Ca 0.28 -0.92 0.12 0.00 1.87 0.00 0.00 56.30 57.65 1itf h ASN 65 Cb -0.08 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.27 1itf h ASN 65 CO -0.07 1.53 0.40 0.25 -0.37 0.00 0.00 177.43 179.16 1itf h LEU 66 N -0.10 0.24 0.00 0.34 5.85 -0.85 0.17 115.31 120.96 1itf h LEU 66 Ca -0.19 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.28 1itf h LEU 66 Cb 1.85 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.80 1itf h LEU 66 CO 0.21 0.14 -1.89 0.49 -0.34 0.00 0.00 178.44 177.04 1itf n PHE 67 N -4.45 0.56 0.28 1.25 3.01 -0.17 -4.05 117.46 113.89 1itf n PHE 67 Ca 0.10 0.20 0.15 0.00 1.01 0.00 0.00 57.45 58.90 1itf n PHE 67 Cb 0.46 -1.03 0.47 0.00 -0.01 0.00 0.00 39.48 39.37 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 -3.48 4.37 0.87 0.44 -3.16 113.55 112.60 1itf h SER 68 Ca -0.32 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.67 1itf h SER 68 Cb 1.89 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 64.00 1itf h SER 68 CO 0.05 0.00 0.12 0.35 -0.53 0.00 0.00 176.83 176.81 1itf n THR 69 N -3.01 3.41 0.31 2.23 -2.24 0.51 -4.62 114.28 110.86 1itf n THR 69 Ca 0.02 -0.50 0.19 0.00 -2.27 0.00 0.00 64.05 61.49 1itf n THR 69 Cb 0.39 -1.14 1.01 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.68 0.00 -0.01 -0.78 1.57 -1.91 0.33 116.57 116.45 1itf h LYS 70 Ca -0.48 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.11 1itf h LYS 70 Cb 1.36 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.68 1itf h LYS 70 CO 0.52 0.02 -0.76 -0.44 -0.57 0.00 0.00 179.45 178.22 1itf h ASP 71 N 0.00 0.68 0.88 0.86 5.19 -1.93 -2.58 116.42 119.53 1itf h ASP 71 Ca -0.00 -0.75 -0.20 0.00 -0.62 0.00 0.00 57.03 55.46 1itf h ASP 71 Cb 0.12 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 1itf h ASP 71 CO 0.00 1.34 -0.96 -1.28 -3.12 0.00 0.00 179.24 175.22 1itf h SER 72 N 0.09 0.06 -0.25 6.45 0.87 -1.58 -0.99 113.55 118.21 1itf h SER 72 Ca -0.09 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 1itf h SER 72 Cb 1.45 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.37 1itf h SER 72 CO 0.15 0.98 -0.02 0.28 -0.53 0.00 0.00 176.83 177.70 1itf h SER 73 N 0.02 0.54 1.17 6.23 0.02 -0.33 -0.62 113.55 120.59 1itf h SER 73 Ca -0.02 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 60.68 1itf h SER 73 Cb 1.68 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 64.05 1itf h SER 73 CO 0.13 0.63 -0.87 0.00 -1.14 0.00 0.00 176.83 175.58 1itf h ALA 74 N 1.44 0.64 -0.09 3.77 0.00 -1.43 -3.27 119.26 120.32 1itf h ALA 74 Ca 0.11 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1itf h ALA 74 Cb 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1itf h ALA 74 CO 0.01 0.76 -0.38 0.00 0.00 0.00 0.00 179.25 179.65 1itf h ALA 75 N 1.45 1.20 -0.52 0.00 0.00 -0.26 -3.45 119.26 117.68 1itf h ALA 75 Ca -0.06 -0.38 -0.67 0.00 0.00 0.00 0.00 54.91 53.80 1itf h ALA 75 Cb 1.48 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 1itf h ALA 75 CO 0.06 0.55 -0.53 -1.58 0.00 0.00 0.00 179.25 177.75 1itf s TRP 76 N -4.20 1.93 0.17 0.00 0.52 -0.33 -4.99 118.94 112.05 1itf s TRP 76 Ca -0.04 -0.93 -0.30 0.00 0.02 0.00 0.00 56.10 54.85 1itf s TRP 76 Cb 0.14 -1.62 -0.08 0.00 -1.15 0.00 0.00 33.47 30.76 1itf s TRP 76 CO 0.76 0.25 1.14 -0.51 0.02 0.00 0.00 176.95 178.60 1itf s ASP 77 N -3.85 7.19 0.44 2.95 1.01 -1.26 -4.80 116.67 118.34 1itf s ASP 77 Ca 0.09 2.14 0.19 0.00 0.71 0.00 0.00 52.55 55.68 1itf s ASP 77 Cb 0.03 -2.60 1.04 0.00 1.01 0.00 0.00 42.92 42.39 1itf s ASP 77 CO 0.05 -0.29 1.94 1.05 0.21 0.00 0.00 175.17 178.13 1itf h GLU 78 N 5.23 0.00 0.09 8.23 4.11 -1.96 0.27 114.58 130.55 1itf h GLU 78 Ca -0.44 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.81 1itf h GLU 78 Cb 1.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.48 1itf h GLU 78 CO 0.74 0.24 -0.73 1.15 0.07 0.00 0.00 179.01 180.47 1itf h THR 79 N 0.00 1.48 -0.64 -1.06 2.02 -1.96 0.27 112.91 113.02 1itf h THR 79 Ca -0.00 -2.36 -0.05 0.00 0.77 0.00 0.00 66.41 64.77 1itf h THR 79 Cb 0.49 2.97 -0.03 0.00 -1.74 0.00 0.00 68.15 69.84 1itf h THR 79 CO 0.03 0.67 0.20 -0.07 0.37 0.00 0.00 175.52 176.72 1itf h LEU 80 N -0.27 0.90 -0.71 2.58 3.38 -1.90 -1.28 115.31 118.01 1itf h LEU 80 Ca -0.12 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 1itf h LEU 80 Cb 1.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1itf h LEU 80 CO 0.14 0.85 -0.56 -0.07 0.09 0.00 0.00 178.44 178.89 1itf h LEU 81 N 0.94 0.28 -0.03 1.67 3.38 -0.49 -1.98 115.31 119.09 1itf h LEU 81 Ca 0.21 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1itf h LEU 81 Cb 0.27 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1itf h LEU 81 CO -0.01 0.78 -0.16 -0.78 0.09 0.00 0.00 178.44 178.36 1itf h ASP 82 N 0.20 -0.48 -0.11 -0.43 3.58 0.67 0.37 116.42 120.22 1itf h ASP 82 Ca 0.00 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 1itf h ASP 82 Cb 1.04 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 1itf h ASP 82 CO 0.09 -0.22 -0.05 0.11 -2.88 0.00 0.00 179.24 176.29 1itf h LYS 83 N -0.26 0.38 -0.23 0.28 1.57 -1.31 -1.37 116.57 115.64 1itf h LYS 83 Ca 0.06 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1itf h LYS 83 Cb 0.34 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1itf h LYS 83 CO -0.17 0.45 -0.10 0.35 -0.57 0.00 0.00 179.45 179.40 1itf h PHE 84 N 0.36 0.38 -0.19 -1.35 3.57 -0.29 -0.52 116.94 118.91 1itf h PHE 84 Ca 0.08 -0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.34 1itf h PHE 84 Cb 0.33 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1itf h PHE 84 CO 0.01 0.47 -0.64 1.88 -2.23 0.00 0.00 178.31 177.80 1itf h TYR 85 N 0.35 0.87 -0.48 0.41 0.05 0.75 -0.40 116.97 118.51 1itf h TYR 85 Ca 0.07 -0.34 -0.14 0.00 0.05 0.00 0.00 58.73 58.37 1itf h TYR 85 Cb 0.40 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1itf h TYR 85 CO 0.01 1.13 -0.23 1.15 -1.05 0.00 0.00 178.16 179.17 1itf h THR 86 N 0.50 1.27 -0.04 -2.88 2.02 -0.88 -0.66 112.91 112.23 1itf h THR 86 Ca -0.01 -1.40 -0.14 0.00 0.77 0.00 0.00 66.41 65.62 1itf h THR 86 Cb 1.22 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1itf h THR 86 CO 0.13 0.48 -0.63 -0.33 0.37 0.00 0.00 175.52 175.54 1itf h GLU 87 N 0.86 0.15 -0.37 6.66 4.39 -1.08 0.18 114.58 125.37 1itf h GLU 87 Ca 0.11 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1itf h GLU 87 Cb 0.81 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1itf h GLU 87 CO 0.07 0.73 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.49 1itf h LEU 88 N 0.11 0.73 -0.27 1.33 3.38 -0.81 -1.20 115.31 118.58 1itf h LEU 88 Ca -0.01 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.51 1itf h LEU 88 Cb 1.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1itf h LEU 88 CO 0.09 0.92 -0.43 1.88 0.09 0.00 0.00 178.44 181.00 1itf h TYR 89 N 0.52 0.00 -0.00 1.13 -1.99 -1.02 -1.22 116.97 114.38 1itf h TYR 89 Ca 0.09 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 1itf h TYR 89 Cb 0.60 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.33 1itf h TYR 89 CO 0.05 0.43 -0.00 0.37 -0.00 0.00 0.00 178.16 179.01 1itf h GLN 90 N 0.00 0.00 0.00 4.88 4.15 -0.44 0.13 115.11 123.83 1itf h GLN 90 Ca -0.00 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1itf h GLN 90 Cb 1.22 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 1itf h GLN 90 CO 0.06 0.42 -0.25 1.96 -1.93 0.00 0.00 178.83 179.08 1itf h GLN 91 N -0.42 0.00 -0.26 1.69 1.08 -1.25 -1.86 115.11 114.09 1itf h GLN 91 Ca 0.00 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 1itf h GLN 91 Cb 0.42 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1itf h GLN 91 CO 0.00 0.25 -0.39 -0.07 -0.95 0.00 0.00 178.83 177.68 1itf h LEU 92 N 0.00 0.65 -0.29 1.46 3.38 -0.86 0.24 115.31 119.89 1itf h LEU 92 Ca -0.00 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 1itf h LEU 92 Cb 0.51 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1itf h LEU 92 CO 0.03 0.97 -0.23 0.78 0.09 0.00 0.00 178.44 180.09 1itf h ASN 93 N 0.51 0.70 -0.45 -0.43 -0.26 0.01 0.35 115.58 115.99 1itf h ASN 93 Ca 0.05 -0.45 -0.04 0.00 -0.56 0.00 0.00 56.30 55.29 1itf h ASN 93 Cb 0.90 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.94 1itf h ASN 93 CO 0.08 1.00 0.11 0.44 -1.06 0.00 0.00 177.43 178.00 1itf h ASP 94 N 0.40 0.69 -0.31 5.81 3.32 -1.28 -0.40 116.42 124.65 1itf h ASP 94 Ca 0.05 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 1itf h ASP 94 Cb 0.78 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1itf h ASP 94 CO 0.06 0.74 0.07 -0.07 -1.72 0.00 0.00 179.24 178.32 1itf h LEU 95 N 0.60 0.55 -0.28 1.55 3.38 -0.86 -2.63 115.31 117.63 1itf h LEU 95 Ca 0.14 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 1itf h LEU 95 Cb 0.32 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1itf h LEU 95 CO 0.00 0.57 -0.64 -0.08 0.09 0.00 0.00 178.44 178.38 1itf h GLU 96 N 0.58 0.79 -0.83 1.13 4.81 -0.49 -2.97 114.58 117.60 1itf h GLU 96 Ca 0.13 -0.56 0.14 0.00 -0.13 0.00 0.00 59.36 58.94 1itf h GLU 96 Cb 0.25 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.63 1itf h GLU 96 CO 0.00 1.18 0.43 0.00 -0.73 0.00 0.00 179.01 179.88 1itf h ALA 97 N 0.69 1.24 -0.49 2.92 0.00 -0.70 0.33 119.26 123.24 1itf h ALA 97 Ca -0.01 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1itf h ALA 97 Cb 1.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1itf h ALA 97 CO 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 179.25 179.23 1itf h VAL 99 N 0.77 1.21 0.16 0.00 2.07 -0.80 -2.85 116.25 116.81 1itf h VAL 99 Ca 0.13 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1itf h VAL 99 Cb 0.61 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1itf h VAL 99 CO 0.04 0.27 -0.08 0.40 0.02 0.00 0.00 177.57 178.22 1itf h ILE 100 N 0.72 0.87 -2.90 4.57 2.04 -0.17 -3.44 117.51 119.20 1itf h ILE 100 Ca 0.17 -0.12 -0.26 0.00 1.00 0.00 0.00 64.86 65.65 1itf h ILE 100 Cb 0.24 0.94 0.12 0.00 -0.74 0.00 0.00 36.82 37.38 1itf h ILE 100 CO -0.01 0.03 0.17 0.00 0.00 0.00 0.00 178.15 178.34 1itf n GLN 101 N -5.16 -1.57 0.00 2.37 1.13 -1.01 -4.90 117.38 108.24 1itf n GLN 101 Ca -0.09 -1.18 0.12 0.00 -1.94 0.00 0.00 57.00 53.91 1itf n GLN 101 Cb 0.13 -0.93 0.74 0.00 0.11 0.00 0.00 30.24 30.29 1itf n GLN 101 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1itf n GLY 102 N -1.21 -0.78 3.76 1.08 0.00 -1.26 -4.82 105.19 101.95 1itf n GLY 102 Ca 0.10 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 2.84 -1.60 1.61 1.01 -1.21 -4.80 120.40 116.25 1itf s VAL 103 Ca 0.37 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1itf s VAL 103 Cb 0.17 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1itf s VAL 103 CO 0.29 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1itf n GLY 104 N 0.33 0.42 3.07 4.51 0.00 -1.22 -4.26 105.19 108.03 1itf n GLY 104 Ca 0.13 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 1itf n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itf s VAL 105 N -2.21 -0.09 -0.24 1.61 0.11 -1.26 -4.38 120.40 113.93 1itf s VAL 105 Ca 0.00 0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 59.18 1itf s VAL 105 Cb 0.00 -0.41 0.13 0.00 -1.53 0.00 0.00 36.38 34.57 1itf s VAL 105 CO 0.00 0.07 0.42 0.42 -3.33 0.00 0.00 175.10 172.68 1itf s THR 106 N 1.43 -0.67 0.03 5.04 -4.23 -1.26 -4.98 115.64 111.00 1itf s THR 106 Ca -0.08 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 1itf s THR 106 Cb -0.10 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 72.92 1itf s THR 106 CO -0.09 -0.06 0.00 -0.62 -0.54 0.00 0.00 174.62 173.31 1itf n GLU 107 N 5.38 0.00 -1.21 3.99 -0.58 -1.26 -5.15 120.64 121.82 1itf n GLU 107 Ca -0.04 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.40 1itf n GLU 107 Cb 0.50 0.00 0.20 0.00 -0.57 0.00 0.00 31.44 31.57 1itf n GLU 107 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1itf s THR 108 N -2.00 1.85 1.41 2.62 -4.23 -1.26 -5.03 115.64 109.00 1itf s THR 108 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.29 1itf s THR 108 Cb 0.00 -2.54 0.36 0.00 1.34 0.00 0.00 72.50 71.66 1itf s THR 108 CO 0.00 0.00 0.93 -2.16 -0.54 0.00 0.00 174.62 172.85 1itf s PRO 109 N -5.21 -2.84 0.00 3.99 0.04 -1.26 -4.74 135.00 124.99 1itf s PRO 109 Ca 0.68 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1itf s PRO 109 Cb -0.14 -1.38 0.00 0.00 0.04 0.00 0.00 34.50 33.02 1itf s PRO 109 CO 0.56 -4.84 0.58 1.47 0.04 0.00 0.00 177.00 174.81 1itf n LEU 110 N -5.63 0.00 0.19 -3.56 -0.00 -1.26 -2.75 117.00 104.00 1itf n LEU 110 Ca 0.11 0.14 0.06 0.00 -0.00 0.00 0.00 56.01 56.32 1itf n LEU 110 Cb 0.59 -0.14 0.34 0.00 -0.00 0.00 0.00 43.42 44.22 1itf n LEU 110 CO 0.45 -0.14 0.84 0.00 -0.00 0.00 0.00 177.39 178.55 1itf h MET 111 N 0.00 0.00 -0.64 1.47 -0.00 -1.99 -0.98 114.93 112.79 1itf h MET 111 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 59.70 59.83 1itf h MET 111 Cb 0.56 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.06 1itf h MET 111 CO 0.00 0.00 0.11 0.87 -0.00 0.00 0.00 176.91 177.89 1itf h LYS 112 N 0.00 0.21 0.00 -0.10 6.56 -1.83 0.46 116.57 121.88 1itf h LYS 112 Ca 0.00 -0.01 -0.12 0.00 -1.06 0.00 0.00 60.65 59.46 1itf h LYS 112 Cb 0.82 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.42 1itf h LYS 112 CO 0.00 0.14 -0.57 1.49 -2.06 0.00 0.00 179.45 178.45 1itf h GLU 113 N 0.22 0.00 -0.83 3.15 4.57 -1.50 -3.13 114.58 117.06 1itf h GLU 113 Ca 0.34 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.71 1itf h GLU 113 Cb 0.55 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.08 1itf h GLU 113 CO -0.47 0.57 0.56 0.22 -1.18 0.00 0.00 179.01 178.71 1itf h ASP 114 N 0.00 0.36 -0.11 1.04 3.58 -0.13 0.46 116.42 121.62 1itf h ASP 114 Ca -0.01 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 1itf h ASP 114 Cb 1.13 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1itf h ASP 114 CO 0.07 0.16 0.06 -1.28 -2.88 0.00 0.00 179.24 175.38 1itf h SER 115 N 0.37 0.14 -0.14 2.28 0.87 -1.38 0.28 113.55 115.98 1itf h SER 115 Ca 0.42 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.85 1itf h SER 115 Cb 1.08 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1itf h SER 115 CO -0.14 0.18 -0.08 0.40 -0.53 0.00 0.00 176.83 176.66 1itf h ILE 116 N 0.10 1.21 -0.04 2.23 2.04 -1.06 -1.70 117.51 120.28 1itf h ILE 116 Ca 0.04 -0.90 -0.07 0.00 1.00 0.00 0.00 64.86 64.93 1itf h ILE 116 Cb 0.07 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1itf h ILE 116 CO -0.01 0.30 -0.32 -0.07 0.00 0.00 0.00 178.15 178.05 1itf h LEU 117 N 0.44 0.08 -0.30 1.44 3.38 0.71 0.30 115.31 121.36 1itf h LEU 117 Ca 0.09 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1itf h LEU 117 Cb 0.41 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1itf h LEU 117 CO 0.02 0.39 -0.08 0.00 0.09 0.00 0.00 178.44 178.87 1itf h ALA 118 N 1.61 0.41 0.00 1.53 0.00 0.42 -0.58 119.26 122.65 1itf h ALA 118 Ca 0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1itf h ALA 118 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1itf h ALA 118 CO 0.04 0.24 -0.27 0.28 0.00 0.00 0.00 179.25 179.54 1itf h VAL 119 N 0.34 1.06 -0.29 0.00 2.07 -0.87 -1.41 116.25 117.14 1itf h VAL 119 Ca 0.07 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 1itf h VAL 119 Cb 0.56 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1itf h VAL 119 CO 0.03 0.27 -0.11 -0.09 0.02 0.00 0.00 177.57 177.69 1itf h ARG 120 N 0.00 0.59 -0.30 1.57 9.65 0.31 -0.61 114.38 125.59 1itf h ARG 120 Ca -0.00 -0.25 -0.10 0.00 -1.10 0.00 0.00 59.98 58.53 1itf h ARG 120 Cb 0.53 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1itf h ARG 120 CO 0.04 0.81 -0.24 -0.22 2.80 0.00 0.00 179.97 183.16 1itf h LYS 121 N 0.34 0.59 0.06 0.20 3.64 -0.83 0.14 116.57 120.71 1itf h LYS 121 Ca 0.07 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1itf h LYS 121 Cb 0.62 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1itf h LYS 121 CO 0.04 0.78 -0.03 -0.92 -2.27 0.00 0.00 179.45 177.05 1itf h TYR 122 N 0.52 -0.07 0.00 1.91 3.20 -1.06 -1.51 116.97 119.96 1itf h TYR 122 Ca 0.08 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 1itf h TYR 122 Cb 0.69 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1itf h TYR 122 CO 0.03 0.06 -0.34 0.74 -1.64 0.00 0.00 178.16 177.01 1itf h PHE 123 N -0.20 0.00 -0.71 -3.82 -1.00 -0.97 -2.05 116.94 108.19 1itf h PHE 123 Ca -0.01 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1itf h PHE 123 Cb 0.17 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.70 1itf h PHE 123 CO -0.04 0.34 0.22 0.37 -1.61 0.00 0.00 178.31 177.60 1itf h GLN 124 N 0.00 1.11 -0.30 1.51 5.75 -0.30 -0.04 115.11 122.84 1itf h GLN 124 Ca -0.00 -0.24 -0.11 0.00 -0.15 0.00 0.00 58.65 58.14 1itf h GLN 124 Cb 0.70 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1itf h GLN 124 CO 0.04 0.95 -0.29 -0.09 -2.65 0.00 0.00 178.83 176.80 1itf h ARG 125 N 1.05 0.62 -0.69 1.69 9.65 -0.85 -2.09 114.38 123.76 1itf h ARG 125 Ca 0.23 -0.27 -0.05 0.00 -1.10 0.00 0.00 59.98 58.80 1itf h ARG 125 Cb 0.30 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 1itf h ARG 125 CO -0.01 0.84 0.25 0.82 2.80 0.00 0.00 179.97 184.68 1itf h ILE 126 N 0.54 1.24 -0.48 1.20 2.04 -0.70 -0.05 117.51 121.30 1itf h ILE 126 Ca 0.07 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1itf h ILE 126 Cb 0.77 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1itf h ILE 126 CO 0.06 0.32 0.14 0.74 0.00 0.00 0.00 178.15 179.41 1itf h THR 127 N 1.01 1.23 -0.81 -0.27 2.02 -0.60 -1.06 112.91 114.44 1itf h THR 127 Ca 0.23 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 1itf h THR 127 Cb 0.23 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1itf h THR 127 CO -0.02 0.28 0.34 0.25 0.37 0.00 0.00 175.52 176.74 1itf h LEU 128 N 0.65 1.11 -0.65 2.58 5.85 -0.99 -1.10 115.31 122.76 1itf h LEU 128 Ca 0.15 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1itf h LEU 128 Cb 0.28 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1itf h LEU 128 CO -0.00 0.97 0.38 0.22 -0.34 0.00 0.00 178.44 179.67 1itf h TYR 129 N 1.18 0.72 -0.67 1.25 3.20 -0.55 0.31 116.97 122.40 1itf h TYR 129 Ca 0.27 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.09 1itf h TYR 129 Cb 0.20 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1itf h TYR 129 CO 0.02 0.38 0.13 -0.07 -1.64 0.00 0.00 178.16 176.99 1itf h LEU 130 N 0.74 1.04 -1.03 2.82 3.38 -0.63 -1.28 115.31 120.35 1itf h LEU 130 Ca 0.27 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1itf h LEU 130 Cb 0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1itf h LEU 130 CO -0.13 1.03 -0.13 0.11 0.09 0.00 0.00 178.44 179.41 1itf h LYS 131 N 1.02 0.00 -0.00 1.13 1.57 -0.40 0.56 116.57 120.45 1itf h LYS 131 Ca 0.21 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1itf h LYS 131 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1itf h LYS 131 CO 0.01 0.13 -0.15 1.49 -0.57 0.00 0.00 179.45 180.35 1itf h GLU 132 N 0.00 0.10 -0.03 3.15 4.57 0.26 -3.12 114.58 119.51 1itf h GLU 132 Ca -0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1itf h GLU 132 Cb 0.73 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1itf h GLU 132 CO 0.02 0.87 0.00 1.63 -1.18 0.00 0.00 179.01 180.34 1itf n LYS 133 N -4.59 1.19 -3.52 1.92 4.01 -0.55 -4.89 118.16 111.74 1itf n LYS 133 Ca -0.10 -0.29 -0.24 0.00 -0.51 0.00 0.00 58.31 57.18 1itf n LYS 133 Cb 0.46 -1.37 0.07 0.00 -0.51 0.00 0.00 35.03 33.68 1itf n LYS 133 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1itf n LYS 134 N -0.54 -7.46 -3.37 1.97 4.76 -0.09 -2.53 118.16 110.90 1itf n LYS 134 Ca 0.17 0.84 -0.16 0.00 -2.87 0.00 0.00 58.31 56.28 1itf n LYS 134 Cb 0.15 -5.86 0.08 0.00 -1.84 0.00 0.00 35.03 27.56 1itf n LYS 134 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1itf n TYR 135 N -4.93 -2.23 -1.69 2.13 4.01 0.18 -4.99 117.16 109.63 1itf n TYR 135 Ca -0.01 0.91 -0.30 0.00 -0.16 0.00 0.00 57.90 58.34 1itf n TYR 135 Cb 0.57 -4.82 0.06 0.00 -0.31 0.00 0.00 39.34 34.84 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 -4.10 5.24 0.11 7.72 0.01 -1.05 -4.91 113.70 116.73 1itf s SER 136 Ca 0.11 1.36 -0.14 0.00 1.31 0.00 0.00 55.95 58.60 1itf s SER 136 Cb -0.01 -2.20 -0.06 0.00 0.21 0.00 0.00 66.02 63.95 1itf s SER 136 CO 0.72 -1.50 1.45 1.55 0.41 0.00 0.00 173.24 175.88 1itf h PRO 137 N -0.76 0.76 -0.25 12.44 0.13 -1.94 -1.38 132.00 141.00 1itf h PRO 137 Ca -0.45 -0.38 -0.12 0.00 -0.87 0.00 0.00 66.00 64.18 1itf h PRO 137 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1itf h PRO 137 CO 0.60 1.00 -0.36 0.00 -0.23 0.00 0.00 178.00 179.01 1itf h ALA 139 N 1.14 1.14 -0.09 0.00 0.00 -1.86 -0.63 119.26 118.96 1itf h ALA 139 Ca 0.05 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1itf h ALA 139 Cb 0.84 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1itf h ALA 139 CO 0.07 0.64 -0.62 -1.49 0.00 0.00 0.00 179.25 177.85 1itf h TRP 140 N 1.13 0.41 -0.58 0.00 4.06 -0.92 -1.45 115.95 118.60 1itf h TRP 140 Ca 0.27 -0.16 -0.09 0.00 2.06 0.00 0.00 58.89 60.96 1itf h TRP 140 Cb 0.15 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 1itf h TRP 140 CO 0.02 0.85 -0.01 1.49 -3.56 0.00 0.00 178.44 177.23 1itf h GLU 141 N 0.23 1.02 -0.50 0.49 4.22 -0.67 0.41 114.58 119.79 1itf h GLU 141 Ca -0.01 -0.33 -0.03 0.00 0.08 0.00 0.00 59.36 59.07 1itf h GLU 141 Cb 1.14 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1itf h GLU 141 CO 0.10 1.02 0.19 0.28 -2.18 0.00 0.00 179.01 178.42 1itf h VAL 142 N 0.91 1.21 0.00 0.32 2.07 -0.99 -1.34 116.25 118.44 1itf h VAL 142 Ca 0.16 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1itf h VAL 142 Cb 0.56 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1itf h VAL 142 CO 0.03 0.25 -0.22 0.58 0.02 0.00 0.00 177.57 178.24 1itf h VAL 143 N 0.66 0.65 -0.07 2.57 2.07 -0.92 -0.69 116.25 120.52 1itf h VAL 143 Ca 0.16 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1itf h VAL 143 Cb 0.20 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1itf h VAL 143 CO -0.01 0.21 -0.03 -0.09 0.02 0.00 0.00 177.57 177.67 1itf h ARG 144 N 0.00 0.14 -0.20 1.57 1.12 0.87 0.10 114.38 117.99 1itf h ARG 144 Ca -0.00 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.72 1itf h ARG 144 Cb 0.60 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.54 1itf h ARG 144 CO 0.03 0.49 -0.27 0.00 -3.11 0.00 0.00 179.97 177.11 1itf h ALA 145 N 0.65 1.17 -0.41 2.80 0.00 -1.09 -0.31 119.26 122.06 1itf h ALA 145 Ca 0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1itf h ALA 145 Cb 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1itf h ALA 145 CO 0.01 0.53 -0.17 0.93 0.00 0.00 0.00 179.25 180.55 1itf h GLU 146 N 0.33 0.77 -0.04 0.00 4.39 -0.93 -1.02 114.58 118.08 1itf h GLU 146 Ca 0.05 -0.29 -0.21 0.00 0.34 0.00 0.00 59.36 59.25 1itf h GLU 146 Cb 0.65 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1itf h GLU 146 CO 0.05 0.89 -0.86 0.82 -1.16 0.00 0.00 179.01 178.75 1itf h ILE 147 N 0.68 1.37 -0.35 3.13 1.08 -0.41 -1.08 117.51 121.94 1itf h ILE 147 Ca 0.10 -2.28 -0.02 0.00 -0.39 0.00 0.00 64.86 62.28 1itf h ILE 147 Cb 0.67 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 36.67 1itf h ILE 147 CO 0.05 0.69 0.15 -0.03 -0.69 0.00 0.00 178.15 178.32 1itf h MET 148 N 0.29 0.51 0.15 2.37 4.05 -0.85 -0.16 114.93 121.29 1itf h MET 148 Ca -0.06 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1itf h MET 148 Cb 1.47 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 1itf h MET 148 CO 0.15 0.48 -0.07 -0.09 0.23 0.00 0.00 176.91 177.61 1itf h ARG 149 N 0.42 -0.20 -0.59 0.39 2.43 -1.19 -1.85 114.38 113.79 1itf h ARG 149 Ca 0.12 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 1itf h ARG 149 Cb 0.15 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 1itf h ARG 149 CO -0.01 0.16 0.27 0.77 -1.51 0.00 0.00 179.97 179.65 1itf h SER 150 N -0.60 0.36 -0.15 -3.80 0.02 -1.16 0.32 113.55 108.54 1itf h SER 150 Ca -0.02 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1itf h SER 150 Cb 0.45 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1itf h SER 150 CO 0.03 0.23 -0.12 0.15 -1.14 0.00 0.00 176.83 175.99 1itf h PHE 151 N 0.51 0.55 -0.02 3.45 3.57 -1.04 -0.25 116.94 123.71 1itf h PHE 151 Ca 0.28 -0.08 -0.16 0.00 3.53 0.00 0.00 57.97 61.53 1itf h PHE 151 Cb 0.25 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1itf h PHE 151 CO -0.12 0.62 -0.73 1.03 -2.23 0.00 0.00 178.31 176.87 1itf h SER 152 N 0.48 0.16 -0.14 0.41 0.87 -0.38 -1.09 113.55 113.85 1itf h SER 152 Ca 0.09 -0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.39 1itf h SER 152 Cb 0.49 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1itf h SER 152 CO 0.03 0.83 -0.42 -0.07 -0.53 0.00 0.00 176.83 176.67 1itf h LEU 153 N 0.09 0.73 -0.30 2.23 3.38 0.18 0.29 115.31 121.91 1itf h LEU 153 Ca -0.02 -0.34 -0.20 0.00 0.09 0.00 0.00 57.88 57.41 1itf h LEU 153 Cb 1.29 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1itf h LEU 153 CO 0.11 1.06 -0.76 0.28 0.09 0.00 0.00 178.44 179.21 1itf h SER 154 N 0.55 0.65 0.18 -0.43 0.02 -0.96 -3.07 113.55 110.49 1itf h SER 154 Ca 0.04 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1itf h SER 154 Cb 0.96 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1itf h SER 154 CO 0.09 1.20 -0.13 0.35 -1.14 0.00 0.00 176.83 177.19 1itf n THR 155 N -3.87 0.00 0.45 -2.27 -2.24 -0.42 -3.82 114.28 102.12 1itf n THR 155 Ca -0.06 -0.14 0.06 0.00 -2.27 0.00 0.00 64.05 61.64 1itf n THR 155 Cb 0.73 0.27 0.27 0.00 -2.10 0.00 0.00 70.33 69.50 1itf n THR 155 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1itf n ASN 156 N -0.50 0.00 0.33 3.42 2.85 0.99 -2.84 115.26 119.52 1itf n ASN 156 Ca 0.15 0.41 0.21 0.00 -0.11 0.00 0.00 54.58 55.24 1itf n ASN 156 Cb 0.32 -0.45 1.10 0.00 1.24 0.00 0.00 39.78 41.99 1itf n ASN 156 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1itf h LEU 157 N 0.00 0.00 -2.18 1.20 -0.00 -1.76 0.26 115.31 112.83 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 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1itf h LEU 157 CO 0.00 0.00 0.00 0.06 -0.00 0.00 0.00 178.44 178.50 1itf h GLN 158 N 0.00 0.00 -2.99 1.13 3.07 -1.86 -3.38 115.11 111.08 1itf h GLN 158 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 58.65 58.34 1itf h GLN 158 Cb 0.16 0.00 -0.39 0.00 0.08 0.00 0.00 27.48 27.33 1itf h GLN 158 CO -0.00 0.00 -0.72 -1.83 0.09 0.00 0.00 178.83 176.37 1itf s GLU 159 N -3.85 0.06 -0.22 0.06 -1.05 0.08 -5.02 118.70 108.76 1itf s GLU 159 Ca -0.03 0.08 -0.13 0.00 -0.15 0.00 0.00 54.97 54.74 1itf s GLU 159 Cb 0.10 -1.42 -0.09 0.00 -0.44 0.00 0.00 34.13 32.28 1itf s GLU 159 CO 0.35 -0.59 -0.32 -1.13 0.95 0.00 0.00 175.26 174.52 1itf n SER 160 N 5.29 1.76 -4.35 0.83 3.41 -1.26 -4.77 113.62 114.53 1itf n SER 160 Ca -0.06 0.30 -0.46 0.00 -0.26 0.00 0.00 58.87 58.39 1itf n SER 160 Cb 0.49 -0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 1itf n SER 160 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1itf s LEU 161 N -7.44 6.52 0.32 1.04 0.20 -1.26 -4.53 118.68 113.53 1itf s LEU 161 Ca -0.32 -2.75 0.00 0.00 0.69 0.00 0.00 54.13 51.75 1itf s LEU 161 Cb 0.11 -2.23 0.00 0.00 -0.43 0.00 0.00 46.19 43.64 1itf s LEU 161 CO 0.42 -0.59 0.00 -1.14 -0.29 0.00 0.00 176.35 174.75 1itf n ARG 162 N 4.09 0.00 -3.70 1.98 3.00 -1.26 -5.10 116.66 115.66 1itf n ARG 162 Ca 0.17 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.64 1itf n ARG 162 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.80 1itf n ARG 162 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1itf s SER 163 N -2.00 5.35 -0.35 6.15 0.15 -1.26 -5.01 113.70 116.73 1itf s SER 163 Ca 0.00 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.29 1itf s SER 163 Cb 0.00 -1.96 0.19 0.00 -1.71 0.00 0.00 66.02 62.54 1itf s SER 163 CO 0.00 -0.13 0.69 -0.75 1.20 0.00 0.00 173.24 174.25 1itf s LYS 164 N 1.60 0.61 0.00 5.44 2.20 -1.26 -5.06 119.74 123.28 1itf s LYS 164 Ca 0.05 0.07 0.26 0.00 -0.36 0.00 0.00 55.97 55.99 1itf s LYS 164 Cb -0.16 0.14 0.57 0.00 -1.51 0.00 0.00 37.83 36.87 1itf s LYS 164 CO 0.05 -0.98 1.47 -0.85 -0.36 0.00 0.00 175.35 174.68