#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 -0.29 0.25 0.00 5.75 -1.26 -4.79 116.55 116.20 1itf n ASP 2 Ca 0.00 -2.84 -0.16 0.00 -0.01 0.00 0.00 54.79 51.79 1itf n ASP 2 Cb 0.00 -0.21 -0.08 0.00 -1.03 0.00 0.00 41.12 39.80 1itf n ASP 2 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1itf h LEU 3 N 3.88 -0.50 -8.79 -2.12 -0.00 -2.04 -3.38 115.31 102.36 1itf h LEU 3 Ca 0.04 -0.02 -0.57 0.00 -0.00 0.00 0.00 57.88 57.33 1itf h LEU 3 Cb 0.92 0.13 -0.05 0.00 -0.00 0.00 0.00 40.66 41.66 1itf h LEU 3 CO 0.44 -0.30 1.12 -2.16 -0.00 0.00 0.00 178.44 177.54 1itf s PRO 4 N -5.82 3.49 -0.87 1.13 0.04 -1.26 -4.95 135.00 126.76 1itf s PRO 4 Ca -0.16 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 61.78 1itf s PRO 4 Cb 0.04 -4.08 0.22 0.00 0.04 0.00 0.00 34.50 30.73 1itf s PRO 4 CO 0.62 -1.67 0.80 -1.14 0.04 0.00 0.00 177.00 175.64 1itf s GLN 5 N 5.17 3.59 -0.16 4.56 0.74 -1.26 -4.84 119.66 127.46 1itf s GLN 5 Ca 0.65 -2.67 -0.12 0.00 0.05 0.00 0.00 55.36 53.27 1itf s GLN 5 Cb -0.15 -4.35 -0.06 0.00 1.10 0.00 0.00 33.01 29.55 1itf s GLN 5 CO 0.32 -1.27 -0.16 0.25 -0.55 0.00 0.00 175.29 173.88 1itf n THR 6 N 3.56 1.45 -4.37 -0.34 -2.24 -1.26 -5.00 114.28 106.09 1itf n THR 6 Ca 0.16 0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.87 1itf n THR 6 Cb 0.44 -2.32 -0.11 0.00 -2.10 0.00 0.00 70.33 66.24 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 -2.38 1.92 -0.27 4.78 0.00 -1.26 -5.13 115.29 112.94 1itf s HIS 7 Ca -0.20 -0.46 -0.01 0.00 -3.00 0.00 0.00 55.06 51.39 1itf s HIS 7 Cb 0.03 -0.91 0.16 0.00 -4.00 0.00 0.00 32.58 27.87 1itf s HIS 7 CO 0.31 0.43 0.48 -1.54 -1.00 0.00 0.00 174.74 173.42 1itf s SER 8 N -3.00 -0.52 -0.32 7.38 1.04 -1.26 -5.03 113.70 112.00 1itf s SER 8 Ca 0.21 0.39 0.17 0.00 0.48 0.00 0.00 55.95 57.19 1itf s SER 8 Cb -0.04 1.59 0.45 0.00 0.10 0.00 0.00 66.02 68.11 1itf s SER 8 CO 0.08 -0.29 1.28 -0.11 0.98 0.00 0.00 173.24 175.18 1itf n LEU 9 N 5.39 -0.05 -0.12 2.42 -0.00 -1.26 -4.94 117.00 118.44 1itf n LEU 9 Ca -0.01 -3.27 -0.26 0.00 -0.00 0.00 0.00 56.01 52.47 1itf n LEU 9 Cb 0.51 0.26 -0.09 0.00 -0.00 0.00 0.00 43.42 44.11 1itf n LEU 9 CO 0.03 1.49 -1.31 0.61 -0.00 0.00 0.00 177.39 178.21 1itf n GLY 10 N -0.85 -0.42 0.34 -3.96 0.00 -1.26 -3.83 105.19 95.21 1itf n GLY 10 Ca -0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 1itf n GLY 10 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1itf h SER 11 N -0.92 1.09 -0.53 1.61 0.02 -1.94 -0.85 113.55 112.04 1itf h SER 11 Ca -0.59 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.14 1itf h SER 11 Cb 1.51 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.74 1itf h SER 11 CO -0.36 0.95 0.12 -0.09 -1.14 0.00 0.00 176.83 176.31 1itf h ARG 12 N 1.17 0.90 -0.06 3.45 9.65 -1.92 -1.55 114.38 126.00 1itf h ARG 12 Ca 0.27 -0.20 -0.09 0.00 -1.10 0.00 0.00 59.98 58.86 1itf h ARG 12 Cb 0.18 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1itf h ARG 12 CO -0.03 0.82 -0.36 0.00 2.80 0.00 0.00 179.97 183.20 1itf h ARG 13 N 0.86 0.13 -0.47 0.20 2.47 -1.52 0.16 114.38 116.21 1itf h ARG 13 Ca 0.18 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.83 1itf h ARG 13 Cb 0.34 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1itf h ARG 13 CO 0.00 0.48 0.20 1.15 0.56 0.00 0.00 179.97 182.36 1itf h THR 14 N 0.11 1.20 -0.12 2.04 2.02 -0.21 0.18 112.91 118.14 1itf h THR 14 Ca 0.01 -0.60 -0.13 0.00 0.77 0.00 0.00 66.41 66.45 1itf h THR 14 Cb 0.70 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1itf h THR 14 CO 0.05 0.23 -0.51 -0.07 0.37 0.00 0.00 175.52 175.59 1itf h LEU 15 N 0.61 0.36 -0.95 2.58 3.38 -1.01 -2.28 115.31 117.99 1itf h LEU 15 Ca 0.16 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1itf h LEU 15 Cb 0.17 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1itf h LEU 15 CO -0.02 0.81 0.12 -0.03 0.09 0.00 0.00 178.44 179.41 1itf h MET 16 N 0.26 0.88 -0.36 1.13 4.05 -0.47 -1.21 114.93 119.21 1itf h MET 16 Ca 0.01 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 59.22 1itf h MET 16 Cb 0.99 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.65 1itf h MET 16 CO 0.08 0.80 0.15 -0.07 0.23 0.00 0.00 176.91 178.11 1itf h LEU 17 N 0.84 0.49 -1.08 3.39 3.38 -0.67 -1.74 115.31 119.92 1itf h LEU 17 Ca 0.18 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1itf h LEU 17 Cb 0.34 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1itf h LEU 17 CO 0.00 0.51 0.62 -0.07 0.09 0.00 0.00 178.44 179.60 1itf h LEU 18 N 0.43 0.98 -0.49 1.67 3.38 -0.84 -0.97 115.31 119.47 1itf h LEU 18 Ca 0.12 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1itf h LEU 18 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1itf h LEU 18 CO -0.01 0.63 0.14 0.00 0.09 0.00 0.00 178.44 179.28 1itf h ALA 19 N 1.48 0.65 0.00 1.53 0.00 -0.73 -2.34 119.26 119.85 1itf h ALA 19 Ca 0.41 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1itf h ALA 19 Cb 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1itf h ALA 19 CO -0.16 0.32 -0.16 1.96 0.00 0.00 0.00 179.25 181.21 1itf h GLN 20 N 0.67 0.00 0.00 0.00 4.20 -0.45 -2.34 115.11 117.19 1itf h GLN 20 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1itf h GLN 20 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1itf h GLN 20 CO -0.00 0.16 0.00 0.52 -0.67 0.00 0.00 178.83 178.84 1itf h MET 21 N 0.00 0.00 -6.26 1.46 2.86 -0.66 -3.46 114.93 108.87 1itf h MET 21 Ca -0.00 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.96 1itf h MET 21 Cb 0.47 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.16 1itf h MET 21 CO 0.02 0.00 0.78 -2.13 1.06 0.00 0.00 176.91 176.64 1itf n ARG 22 N -3.09 1.47 -0.10 1.72 0.63 -0.88 -4.79 116.66 111.62 1itf n ARG 22 Ca 0.03 0.54 -0.11 0.00 -0.92 0.00 0.00 57.85 57.39 1itf n ARG 22 Cb 0.47 -2.25 -0.12 0.00 0.45 0.00 0.00 32.46 31.01 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 4.44 0.93 -4.41 -0.14 4.01 -1.26 -5.04 118.16 116.69 1itf n LYS 23 Ca 0.22 0.05 -0.20 0.00 -0.51 0.00 0.00 58.31 57.86 1itf n LYS 23 Cb 0.20 -1.44 -0.10 0.00 -0.51 0.00 0.00 35.03 33.18 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 -2.43 0.86 0.14 -0.18 -4.36 -1.26 -5.15 121.20 108.83 1itf s ILE 24 Ca -0.17 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.09 1itf s ILE 24 Cb 0.06 -2.68 -0.07 0.00 1.25 0.00 0.00 42.46 41.03 1itf s ILE 24 CO 0.62 0.00 0.51 -0.44 0.24 0.00 0.00 174.94 175.87 1itf s SER 25 N -3.44 6.76 0.37 4.36 0.01 -1.26 -4.97 113.70 115.53 1itf s SER 25 Ca 0.35 0.99 0.04 0.00 1.31 0.00 0.00 55.95 58.64 1itf s SER 25 Cb 0.08 -2.25 0.70 0.00 0.21 0.00 0.00 66.02 64.75 1itf s SER 25 CO 0.15 0.10 2.02 0.25 0.41 0.00 0.00 173.24 176.18 1itf h LEU 26 N 3.50 0.65 -0.75 2.44 5.85 -1.92 -0.87 115.31 124.21 1itf h LEU 26 Ca -0.49 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 1itf h LEU 26 Cb 1.19 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1itf h LEU 26 CO 0.66 0.47 0.28 -0.26 -0.34 0.00 0.00 178.44 179.25 1itf h PHE 27 N 0.77 1.16 0.00 1.25 0.04 -2.00 -0.20 116.94 117.96 1itf h PHE 27 Ca 0.21 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 1itf h PHE 27 Cb -0.08 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 37.73 1itf h PHE 27 CO -0.00 0.90 -0.01 1.03 -0.60 0.00 0.00 178.31 179.63 1itf h SER 28 N 1.09 0.00 -1.92 2.17 0.87 -1.57 -2.25 113.55 111.94 1itf h SER 28 Ca 0.25 0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 60.09 1itf h SER 28 Cb 0.25 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 61.88 1itf h SER 28 CO -0.02 0.01 0.44 0.00 -0.53 0.00 0.00 176.83 176.73 1itf n LEU 30 N -0.44 0.13 -0.00 0.00 4.32 -0.85 -2.74 117.00 117.42 1itf n LEU 30 Ca 0.47 -0.05 -0.08 0.00 -0.02 0.00 0.00 56.01 56.33 1itf n LEU 30 Cb 0.37 -0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.02 1itf n LEU 30 CO 0.45 0.03 -0.39 0.11 -1.22 0.00 0.00 177.39 176.36 1itf h LYS 31 N 0.18 0.00 -0.27 3.23 1.57 -1.87 -3.34 116.57 116.08 1itf h LYS 31 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1itf h LYS 31 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1itf h LYS 31 CO 0.00 0.60 0.00 -0.25 -0.57 0.00 0.00 179.45 179.23 1itf n ASP 32 N -3.11 3.65 -4.59 0.86 9.92 -1.15 -4.96 116.55 117.17 1itf n ASP 32 Ca -0.14 -2.82 -0.42 0.00 -0.53 0.00 0.00 54.79 50.88 1itf n ASP 32 Cb 1.03 -0.48 -0.03 0.00 -0.64 0.00 0.00 41.12 41.01 1itf n ASP 32 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1itf s ARG 33 N -2.48 3.28 -0.08 -1.24 3.00 -1.11 -4.84 118.95 115.49 1itf s ARG 33 Ca 0.38 1.02 -0.03 0.00 -1.00 0.00 0.00 55.73 56.10 1itf s ARG 33 Cb 0.30 -4.17 0.04 0.00 0.00 0.00 0.00 34.95 31.12 1itf s ARG 33 CO 0.10 -1.93 0.17 -1.01 0.00 0.00 0.00 175.30 172.63 1itf s HIS 34 N 6.74 -0.21 -0.01 5.12 3.76 -1.26 -5.07 115.29 124.36 1itf s HIS 34 Ca 0.69 0.57 -0.30 0.00 -0.15 0.00 0.00 55.06 55.87 1itf s HIS 34 Cb -0.17 -0.05 -0.03 0.00 1.11 0.00 0.00 32.58 33.44 1itf s HIS 34 CO 0.30 -0.19 1.00 0.34 -0.85 0.00 0.00 174.74 175.34 1itf s ASP 35 N 1.24 7.34 0.08 1.40 2.15 -1.26 -4.94 116.67 122.68 1itf s ASP 35 Ca -0.09 1.66 -0.03 0.00 0.43 0.00 0.00 52.55 54.52 1itf s ASP 35 Cb -0.11 -2.57 -0.28 0.00 -0.30 0.00 0.00 42.92 39.66 1itf s ASP 35 CO -0.07 -0.30 1.14 -0.26 -0.17 0.00 0.00 175.17 175.52 1itf h PHE 36 N 6.84 0.44 0.00 -5.34 0.04 -1.97 -3.49 116.94 113.46 1itf h PHE 36 Ca -0.40 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.05 1itf h PHE 36 Cb 1.21 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1itf h PHE 36 CO 0.68 1.25 0.00 0.41 -0.60 0.00 0.00 178.31 180.06 1itf n GLY 37 N 1.52 0.75 3.71 -1.45 0.00 -1.26 -4.92 105.19 103.53 1itf n GLY 37 Ca -0.08 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.56 3.55 -1.44 1.61 5.36 -1.26 -4.66 117.98 120.58 1itf s PHE 38 Ca 0.00 1.49 -0.14 0.00 -0.96 0.00 0.00 56.93 57.32 1itf s PHE 38 Cb 0.00 -3.28 0.05 0.00 -0.34 0.00 0.00 43.02 39.45 1itf s PHE 38 CO 0.00 -0.67 2.18 -0.35 -1.46 0.00 0.00 175.22 174.92 1itf n PRO 39 N 3.87 2.93 0.19 10.12 -0.04 -1.26 -4.67 135.00 146.14 1itf n PRO 39 Ca 0.07 -2.70 0.14 0.00 -0.04 0.00 0.00 63.50 60.97 1itf n PRO 39 Cb 0.48 -3.27 0.53 0.00 -0.04 0.00 0.00 33.50 31.20 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 -0.58 0.54 4.15 -1.95 -2.77 115.11 120.55 1itf h GLN 40 Ca 0.55 0.00 0.10 0.00 0.77 0.00 0.00 58.65 60.07 1itf h GLN 40 Cb 0.65 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 1itf h GLN 40 CO 1.85 0.00 0.39 1.49 -1.93 0.00 0.00 178.83 180.63 1itf h GLU 41 N 0.00 0.37 -0.97 1.69 4.22 -2.00 0.40 114.58 118.29 1itf h GLU 41 Ca 0.00 -0.02 -0.29 0.00 0.08 0.00 0.00 59.36 59.13 1itf h GLU 41 Cb 0.51 -0.08 -0.17 0.00 0.50 0.00 0.00 28.75 29.50 1itf h GLU 41 CO 0.00 0.24 0.37 -1.91 -2.18 0.00 0.00 179.01 175.53 1itf n GLU 42 N -4.47 1.94 -2.25 1.92 4.07 -1.04 -4.00 120.64 116.81 1itf n GLU 42 Ca 0.09 -1.87 0.01 0.00 -0.06 0.00 0.00 57.16 55.33 1itf n GLU 42 Cb 0.37 -1.75 0.04 0.00 -0.06 0.00 0.00 31.44 30.03 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 -0.43 0.55 0.00 4.31 3.72 0.14 -4.93 117.46 120.82 1itf n PHE 43 Ca 0.35 -1.43 0.00 0.00 -0.05 0.00 0.00 57.45 56.33 1itf n PHE 43 Cb 1.19 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.66 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 -0.21 1.23 3.76 1.37 0.00 -1.24 -4.66 105.19 105.44 1itf n GLY 44 Ca 0.04 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1itf n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1itf s ASN 45 N 1.00 7.10 -0.98 1.61 0.01 -1.26 -2.78 114.94 119.64 1itf s ASN 45 Ca 0.00 2.40 0.00 0.00 -0.71 0.00 0.00 52.86 54.55 1itf s ASN 45 Cb 0.00 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1itf s ASN 45 CO 0.00 -0.28 0.00 1.67 -1.51 0.00 0.00 177.10 176.98 1itf n GLN 46 N 1.04 -0.79 -3.06 -0.60 7.27 -1.26 -4.93 117.38 115.05 1itf n GLN 46 Ca -0.01 0.65 -0.17 0.00 0.07 0.00 0.00 57.00 57.54 1itf n GLN 46 Cb 0.44 -4.67 -0.02 0.00 2.41 0.00 0.00 30.24 28.40 1itf n GLN 46 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1itf n PHE 47 N -3.49 0.71 -3.83 3.69 3.72 -1.12 -4.81 117.46 112.33 1itf n PHE 47 Ca -0.12 -3.63 -0.10 0.00 -0.05 0.00 0.00 57.45 53.56 1itf n PHE 47 Cb 0.50 -0.41 -0.05 0.00 -0.94 0.00 0.00 39.48 38.57 1itf n PHE 47 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1itf s GLN 48 N -2.66 1.25 -0.97 -1.08 -2.07 -1.26 -4.36 119.66 108.51 1itf s GLN 48 Ca 0.38 -0.98 -0.04 0.00 -1.82 0.00 0.00 55.36 52.90 1itf s GLN 48 Cb 0.37 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.70 1itf s GLN 48 CO -0.06 -0.50 0.84 1.63 -1.32 0.00 0.00 175.29 175.87 1itf n LYS 49 N -0.27 -3.17 -2.82 9.60 5.02 -1.26 -3.88 118.16 121.38 1itf n LYS 49 Ca -0.09 0.77 -0.04 0.00 -2.02 0.00 0.00 58.31 56.92 1itf n LYS 49 Cb 0.63 -5.39 0.02 0.00 -0.02 0.00 0.00 35.03 30.27 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 -3.26 -2.25 0.00 7.82 0.00 -1.26 -4.94 120.51 116.62 1itf n ALA 50 Ca -0.12 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1itf n ALA 50 Cb 0.62 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 -2.07 0.00 0.00 0.00 -0.58 -1.25 -4.56 120.64 112.18 1itf n GLU 51 Ca -0.02 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.86 1itf n GLU 51 Cb 0.53 -0.10 0.58 0.00 -0.57 0.00 0.00 31.44 31.88 1itf n GLU 51 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1itf n THR 52 N -2.53 0.00 -0.19 2.62 -1.04 -1.26 -4.16 114.28 107.72 1itf n THR 52 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1itf n THR 52 Cb 0.08 -0.03 0.09 0.00 -1.82 0.00 0.00 70.33 68.65 1itf n THR 52 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1itf h ILE 53 N 0.65 0.55 -0.27 12.58 2.04 -1.94 0.76 117.51 131.89 1itf h ILE 53 Ca 0.00 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1itf h ILE 53 Cb 0.38 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1itf h ILE 53 CO 0.00 0.03 -0.05 1.55 0.00 0.00 0.00 178.15 179.68 1itf h PRO 54 N 0.15 0.42 -0.23 2.37 0.13 -1.84 0.11 132.00 133.12 1itf h PRO 54 Ca 0.31 -0.09 -0.13 0.00 -0.87 0.00 0.00 66.00 65.21 1itf h PRO 54 Cb 0.48 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 1itf h PRO 54 CO -0.47 0.49 -0.37 0.28 -0.23 0.00 0.00 178.00 177.70 1itf h VAL 55 N 0.41 1.32 -0.06 1.56 2.07 -1.00 -2.32 116.25 118.23 1itf h VAL 55 Ca 0.09 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 65.97 1itf h VAL 55 Cb 0.35 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1itf h VAL 55 CO 0.01 0.50 -0.20 -0.07 0.02 0.00 0.00 177.57 177.83 1itf h LEU 56 N 0.35 0.10 -0.13 2.57 3.38 0.88 0.38 115.31 122.84 1itf h LEU 56 Ca 0.02 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1itf h LEU 56 Cb 0.96 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1itf h LEU 56 CO 0.08 0.31 -0.09 -0.74 0.09 0.00 0.00 178.44 178.10 1itf h HIS 57 N 0.10 0.33 0.00 1.13 2.76 -0.58 0.21 115.15 119.09 1itf h HIS 57 Ca 0.02 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 57.97 1itf h HIS 57 Cb 0.42 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 1itf h HIS 57 CO 0.00 0.65 -0.58 0.93 -1.30 0.00 0.00 177.93 177.63 1itf h GLU 58 N -0.08 0.00 -0.09 5.26 4.39 -1.21 -0.79 114.58 122.06 1itf h GLU 58 Ca 0.03 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 1itf h GLU 58 Cb 0.58 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1itf h GLU 58 CO 0.02 0.58 -0.54 1.98 -1.16 0.00 0.00 179.01 179.89 1itf h MET 59 N 0.00 0.52 0.00 2.33 4.05 -0.88 -1.30 114.93 119.66 1itf h MET 59 Ca -0.01 -0.45 -0.03 0.00 -0.28 0.00 0.00 59.70 58.94 1itf h MET 59 Cb 1.16 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 32.05 1itf h MET 59 CO 0.08 1.08 -0.14 0.82 0.23 0.00 0.00 176.91 178.97 1itf h ILE 60 N 0.12 0.33 -0.12 1.77 2.04 -0.93 -0.55 117.51 120.16 1itf h ILE 60 Ca -0.04 -0.92 -0.21 0.00 1.00 0.00 0.00 64.86 64.68 1itf h ILE 60 Cb 1.20 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1itf h ILE 60 CO 0.11 0.14 -0.77 -0.61 0.00 0.00 0.00 178.15 177.02 1itf h GLN 61 N 0.00 0.65 -0.48 2.37 -0.00 -0.99 0.21 115.11 116.86 1itf h GLN 61 Ca -0.00 -0.54 -0.12 0.00 -0.00 0.00 0.00 58.65 57.99 1itf h GLN 61 Cb 0.69 0.11 -0.01 0.00 0.00 0.00 0.00 27.48 28.27 1itf h GLN 61 CO 0.02 1.15 -0.18 1.96 0.00 0.00 0.00 178.83 181.79 1itf h GLN 62 N 0.44 0.97 -0.24 1.69 1.08 -0.70 -2.20 115.11 116.15 1itf h GLN 62 Ca -0.05 -0.40 -0.10 0.00 -1.45 0.00 0.00 58.65 56.65 1itf h GLN 62 Cb 1.38 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.76 1itf h GLN 62 CO 0.15 1.07 -0.28 0.82 -0.95 0.00 0.00 178.83 179.63 1itf h ILE 63 N 0.82 1.27 -0.25 2.54 2.04 -1.04 0.19 117.51 123.08 1itf h ILE 63 Ca 0.11 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.68 1itf h ILE 63 Cb 0.75 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1itf h ILE 63 CO 0.06 0.42 0.04 0.15 0.00 0.00 0.00 178.15 178.82 1itf h PHE 64 N 0.41 0.07 0.03 1.37 3.04 -0.08 0.21 116.94 121.99 1itf h PHE 64 Ca 0.06 0.02 -0.23 0.00 3.98 0.00 0.00 57.97 61.79 1itf h PHE 64 Cb 0.71 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.23 1itf h PHE 64 CO 0.02 0.01 -1.00 -0.91 -2.02 0.00 0.00 178.31 174.41 1itf h ASN 65 N 0.13 0.43 -0.39 0.41 4.21 -1.27 0.25 115.58 119.36 1itf h ASN 65 Ca 0.12 -0.38 0.02 0.00 1.21 0.00 0.00 56.30 57.27 1itf h ASN 65 Cb 0.12 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.17 1itf h ASN 65 CO -0.16 1.20 0.26 0.25 -1.29 0.00 0.00 177.43 177.69 1itf h LEU 66 N 0.16 0.40 0.00 1.61 5.85 -0.55 -1.01 115.31 121.77 1itf h LEU 66 Ca -0.08 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 1itf h LEU 66 Cb 1.66 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 1itf h LEU 66 CO 0.17 0.28 -2.04 0.49 -0.34 0.00 0.00 178.44 176.99 1itf n PHE 67 N -4.48 0.09 0.25 1.25 3.01 0.03 -4.20 117.46 113.41 1itf n PHE 67 Ca 0.03 0.03 0.15 0.00 1.01 0.00 0.00 57.45 58.67 1itf n PHE 67 Cb 0.11 -0.69 0.42 0.00 -0.01 0.00 0.00 39.48 39.30 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 -3.54 4.37 0.87 -0.07 -3.32 113.55 111.87 1itf h SER 68 Ca -0.17 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.82 1itf h SER 68 Cb 1.39 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 63.51 1itf h SER 68 CO 0.01 0.00 0.10 0.35 -0.53 0.00 0.00 176.83 176.76 1itf n THR 69 N -3.08 3.60 0.29 2.23 -2.24 -0.42 -4.71 114.28 109.94 1itf n THR 69 Ca 0.02 -0.50 0.16 0.00 -2.27 0.00 0.00 64.05 61.47 1itf n THR 69 Cb 0.42 -1.13 0.86 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.51 0.00 -0.05 -0.78 6.56 -1.92 0.39 116.57 121.28 1itf h LYS 70 Ca -0.48 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 58.88 1itf h LYS 70 Cb 1.36 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.03 1itf h LYS 70 CO 0.51 0.06 -0.89 -0.44 -2.06 0.00 0.00 179.45 176.63 1itf h ASP 71 N 0.00 0.70 0.82 0.86 5.19 -1.93 -1.87 116.42 120.19 1itf h ASP 71 Ca -0.00 -0.52 -0.21 0.00 -0.62 0.00 0.00 57.03 55.68 1itf h ASP 71 Cb 0.25 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 1itf h ASP 71 CO 0.01 1.31 -0.97 -1.28 -3.12 0.00 0.00 179.24 175.18 1itf h SER 72 N 0.35 0.12 0.10 6.45 0.87 -1.59 -1.86 113.55 117.98 1itf h SER 72 Ca -0.08 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.27 1itf h SER 72 Cb 1.51 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.42 1itf h SER 72 CO 0.16 1.02 -0.35 0.77 -0.53 0.00 0.00 176.83 177.90 1itf h SER 73 N 0.03 0.37 1.52 6.23 4.64 -0.94 -0.56 113.55 124.85 1itf h SER 73 Ca -0.04 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1itf h SER 73 Cb 1.67 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1itf h SER 73 CO 0.14 0.70 -0.23 0.00 -0.87 0.00 0.00 176.83 176.57 1itf h ALA 74 N 1.33 0.87 0.08 5.18 0.00 -1.31 -3.26 119.26 122.15 1itf h ALA 74 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1itf h ALA 74 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1itf h ALA 74 CO 0.06 0.00 -1.26 0.00 0.00 0.00 0.00 179.25 178.05 1itf h ALA 75 N 2.25 0.25 -1.53 0.00 0.00 -0.57 -3.47 119.26 116.20 1itf h ALA 75 Ca 0.00 -0.98 -0.62 0.00 0.00 0.00 0.00 54.91 53.31 1itf h ALA 75 Cb 0.87 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 1itf h ALA 75 CO 0.00 1.13 -0.57 -1.58 0.00 0.00 0.00 179.25 178.24 1itf s TRP 76 N -2.66 2.48 0.20 0.00 0.52 -0.29 -4.99 118.94 114.20 1itf s TRP 76 Ca -0.04 -0.68 -0.32 0.00 0.02 0.00 0.00 56.10 55.09 1itf s TRP 76 Cb 0.08 -1.81 -0.11 0.00 -1.15 0.00 0.00 33.47 30.48 1itf s TRP 76 CO 0.85 0.37 1.65 -0.51 0.02 0.00 0.00 176.95 179.33 1itf s ASP 77 N -3.77 6.46 0.43 2.95 1.11 -1.26 -4.75 116.67 117.84 1itf s ASP 77 Ca 0.34 2.78 0.18 0.00 0.18 0.00 0.00 52.55 56.03 1itf s ASP 77 Cb 0.08 -2.60 0.99 0.00 1.07 0.00 0.00 42.92 42.46 1itf s ASP 77 CO 0.18 -0.91 1.93 1.05 1.18 0.00 0.00 175.17 178.60 1itf h GLU 78 N 6.60 0.00 0.07 8.23 4.11 -1.95 0.27 114.58 131.91 1itf h GLU 78 Ca -0.43 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.84 1itf h GLU 78 Cb 1.20 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.47 1itf h GLU 78 CO 0.93 0.25 -0.66 1.15 0.07 0.00 0.00 179.01 180.75 1itf h THR 79 N 0.00 1.49 -0.68 -1.06 2.02 -1.95 0.23 112.91 112.95 1itf h THR 79 Ca -0.00 -2.30 -0.03 0.00 0.77 0.00 0.00 66.41 64.84 1itf h THR 79 Cb 0.50 2.93 -0.03 0.00 -1.74 0.00 0.00 68.15 69.81 1itf h THR 79 CO 0.03 0.65 0.29 -0.07 0.37 0.00 0.00 175.52 176.80 1itf h LEU 80 N -0.29 0.91 -0.65 2.58 3.38 -1.89 -1.17 115.31 118.17 1itf h LEU 80 Ca -0.10 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.61 1itf h LEU 80 Cb 1.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1itf h LEU 80 CO 0.13 0.79 -0.57 -0.07 0.09 0.00 0.00 178.44 178.81 1itf h LEU 81 N 0.98 0.36 0.07 1.67 3.38 -0.48 -0.83 115.31 120.46 1itf h LEU 81 Ca 0.23 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1itf h LEU 81 Cb 0.16 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1itf h LEU 81 CO -0.02 0.85 -0.21 -0.78 0.09 0.00 0.00 178.44 178.37 1itf h ASP 82 N 0.24 -0.60 -0.27 -0.43 1.82 0.63 0.45 116.42 118.27 1itf h ASP 82 Ca 0.00 0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.65 1itf h ASP 82 Cb 1.07 0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.29 1itf h ASP 82 CO 0.09 -0.29 -0.05 0.11 -1.61 0.00 0.00 179.24 177.49 1itf h LYS 83 N -0.37 0.63 0.00 0.28 1.79 -1.28 -1.45 116.57 116.17 1itf h LYS 83 Ca 0.04 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 1itf h LYS 83 Cb 0.41 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1itf h LYS 83 CO -0.14 0.69 -0.12 0.35 -1.08 0.00 0.00 179.45 179.15 1itf h PHE 84 N 0.59 0.00 -0.06 -1.35 3.57 0.06 -0.10 116.94 119.65 1itf h PHE 84 Ca 0.11 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.42 1itf h PHE 84 Cb 0.45 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.20 1itf h PHE 84 CO 0.02 0.12 -0.71 1.88 -2.23 0.00 0.00 178.31 177.39 1itf h TYR 85 N 0.00 0.83 -0.29 0.41 0.05 0.89 -1.80 116.97 117.07 1itf h TYR 85 Ca -0.00 -0.41 -0.07 0.00 0.05 0.00 0.00 58.73 58.30 1itf h TYR 85 Cb 0.22 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1itf h TYR 85 CO 0.00 1.22 -0.12 1.15 -1.05 0.00 0.00 178.16 179.36 1itf h THR 86 N 0.20 1.22 -0.07 -2.88 2.02 -0.80 -0.13 112.91 112.47 1itf h THR 86 Ca -0.07 -0.99 -0.18 0.00 0.77 0.00 0.00 66.41 65.94 1itf h THR 86 Cb 1.37 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1itf h THR 86 CO 0.14 0.32 -0.72 -0.08 0.37 0.00 0.00 175.52 175.56 1itf h GLU 87 N 0.45 0.37 -0.37 6.66 4.57 -1.02 0.31 114.58 125.55 1itf h GLU 87 Ca 0.08 -0.30 -0.15 0.00 -1.18 0.00 0.00 59.36 57.81 1itf h GLU 87 Cb 0.48 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1itf h GLU 87 CO 0.03 0.94 -0.35 -0.07 -1.18 0.00 0.00 179.01 178.38 1itf h LEU 88 N 0.25 0.95 -0.30 1.64 3.38 -0.85 -1.95 115.31 118.45 1itf h LEU 88 Ca -0.03 -0.46 -0.19 0.00 0.09 0.00 0.00 57.88 57.29 1itf h LEU 88 Cb 1.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1itf h LEU 88 CO 0.12 1.22 -0.86 0.22 0.09 0.00 0.00 178.44 179.22 1itf h TYR 89 N 0.71 0.22 0.15 1.13 3.20 -1.00 -0.51 116.97 120.87 1itf h TYR 89 Ca 0.06 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1itf h TYR 89 Cb 0.94 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1itf h TYR 89 CO 0.06 0.94 -0.07 0.37 -1.64 0.00 0.00 178.16 177.82 1itf h GLN 90 N 0.08 -0.19 -0.02 1.82 -0.00 -0.87 0.24 115.11 116.17 1itf h GLN 90 Ca -0.04 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.59 1itf h GLN 90 Cb 1.49 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 29.01 1itf h GLN 90 CO 0.13 0.07 -0.17 0.37 0.00 0.00 0.00 178.83 179.22 1itf h GLN 91 N -0.43 0.03 -0.14 1.69 5.75 -1.40 -1.20 115.11 119.41 1itf h GLN 91 Ca -0.02 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 1itf h GLN 91 Cb 0.34 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 1itf h GLN 91 CO 0.03 0.20 -0.40 -0.07 -2.65 0.00 0.00 178.83 175.95 1itf h LEU 92 N 0.03 0.33 -0.28 -2.39 3.38 -0.52 -0.16 115.31 115.69 1itf h LEU 92 Ca 0.00 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1itf h LEU 92 Cb 0.32 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1itf h LEU 92 CO 0.02 0.70 -0.32 0.78 0.09 0.00 0.00 178.44 179.71 1itf h ASN 93 N 0.26 0.76 -0.18 -0.43 2.35 0.65 -0.09 115.58 118.91 1itf h ASN 93 Ca 0.03 -0.49 -0.03 0.00 -0.55 0.00 0.00 56.30 55.26 1itf h ASN 93 Cb 0.82 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1itf h ASN 93 CO 0.07 1.10 -0.01 -0.78 -1.65 0.00 0.00 177.43 176.15 1itf h ASP 94 N 0.45 0.31 -0.95 5.81 3.58 -1.27 0.23 116.42 124.58 1itf h ASP 94 Ca 0.04 -0.32 0.02 0.00 0.42 0.00 0.00 57.03 57.18 1itf h ASP 94 Cb 0.90 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.81 1itf h ASP 94 CO 0.08 0.56 0.63 -0.07 -2.88 0.00 0.00 179.24 177.56 1itf h LEU 95 N 0.06 1.08 -0.25 2.28 3.38 -1.01 -2.58 115.31 118.27 1itf h LEU 95 Ca 0.05 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 1itf h LEU 95 Cb 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1itf h LEU 95 CO 0.01 0.77 -0.82 -0.08 0.09 0.00 0.00 178.44 178.41 1itf h GLU 96 N 1.27 0.55 -0.75 1.13 4.81 -0.89 -3.22 114.58 117.49 1itf h GLU 96 Ca 0.36 -0.49 0.14 0.00 -0.13 0.00 0.00 59.36 59.23 1itf h GLU 96 Cb -0.11 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.29 1itf h GLU 96 CO -0.09 1.12 0.30 0.00 -0.73 0.00 0.00 179.01 179.61 1itf h ALA 97 N 0.73 1.04 -0.64 2.92 0.00 -0.55 0.60 119.26 123.36 1itf h ALA 97 Ca -0.06 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1itf h ALA 97 Cb 1.43 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 1itf h ALA 97 CO 0.15 -0.20 0.37 0.00 0.00 0.00 0.00 179.25 179.57 1itf h VAL 99 N 0.69 1.30 0.57 0.00 2.07 -0.60 -3.25 116.25 117.04 1itf h VAL 99 Ca 0.28 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1itf h VAL 99 Cb 0.13 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1itf h VAL 99 CO -0.15 0.42 -0.28 0.40 0.02 0.00 0.00 177.57 177.98 1itf h ILE 100 N 0.05 0.25 -3.00 4.57 1.08 0.14 -3.45 117.51 117.14 1itf h ILE 100 Ca 0.00 -0.37 -0.32 0.00 -0.39 0.00 0.00 64.86 63.78 1itf h ILE 100 Cb 0.76 0.35 0.16 0.00 -3.07 0.00 0.00 36.82 35.02 1itf h ILE 100 CO 0.06 0.04 0.08 0.00 -0.69 0.00 0.00 178.15 177.64 1itf n GLN 101 N -5.32 -2.83 -1.16 2.37 3.00 -0.79 -4.87 117.38 107.77 1itf n GLN 101 Ca -0.11 -1.42 -0.20 0.00 -0.01 0.00 0.00 57.00 55.26 1itf n GLN 101 Cb 0.34 -1.35 -0.04 0.00 0.00 0.00 0.00 30.24 29.19 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 -3.50 3.93 3.82 1.08 0.00 -1.26 -4.94 105.19 104.32 1itf n GLY 102 Ca 0.12 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.57 2.49 -1.03 1.61 1.01 -1.25 -4.86 120.40 116.80 1itf s VAL 103 Ca 0.48 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.40 1itf s VAL 103 Cb 0.31 -2.97 -0.11 0.00 0.00 0.00 0.00 36.38 33.60 1itf s VAL 103 CO -0.11 -0.21 1.92 0.61 0.00 0.00 0.00 175.10 177.32 1itf n GLY 104 N -2.42 1.71 0.06 4.51 0.00 -1.26 -4.37 105.19 103.41 1itf n GLY 104 Ca 0.07 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.18 1itf n GLY 104 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1itf n VAL 105 N 7.02 1.20 -3.52 1.61 0.31 -1.26 -4.51 118.33 119.17 1itf n VAL 105 Ca 0.47 -1.34 -0.03 0.00 -0.01 0.00 0.00 64.34 63.43 1itf n VAL 105 Cb 0.44 0.26 -0.05 0.00 -0.91 0.00 0.00 33.84 33.58 1itf n VAL 105 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1itf s THR 106 N -1.57 -0.86 0.00 2.52 -4.23 -1.26 -5.00 115.64 105.24 1itf s THR 106 Ca 0.12 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 1itf s THR 106 Cb 0.11 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 73.06 1itf s THR 106 CO 0.01 0.01 0.00 1.21 -0.54 0.00 0.00 174.62 175.31 1itf n GLU 107 N 5.42 0.00 -0.72 3.99 0.00 -1.26 -5.15 120.64 122.93 1itf n GLU 107 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.79 1itf n GLU 107 Cb 0.50 0.00 0.21 0.00 0.00 0.00 0.00 31.44 32.15 1itf n GLU 107 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1itf s THR 108 N 0.00 2.12 1.23 6.31 -4.23 -1.26 -5.00 115.64 114.81 1itf s THR 108 Ca 0.00 0.04 -0.17 0.00 -1.18 0.00 0.00 61.69 60.38 1itf s THR 108 Cb 0.00 -2.18 0.30 0.00 1.34 0.00 0.00 72.50 71.96 1itf s THR 108 CO 0.00 -0.05 1.02 -2.16 -0.54 0.00 0.00 174.62 172.89 1itf s PRO 109 N -4.60 -1.43 0.19 3.99 0.04 -1.26 -4.76 135.00 127.17 1itf s PRO 109 Ca 0.67 0.41 0.06 0.00 0.04 0.00 0.00 61.00 62.19 1itf s PRO 109 Cb -0.23 -1.53 0.32 0.00 0.04 0.00 0.00 34.50 33.10 1itf s PRO 109 CO 0.62 -3.95 0.99 1.47 0.04 0.00 0.00 177.00 176.16 1itf n LEU 110 N -5.02 0.15 0.30 -3.56 -0.00 -1.26 -1.45 117.00 106.17 1itf n LEU 110 Ca 0.07 0.38 0.18 0.00 -0.00 0.00 0.00 56.01 56.64 1itf n LEU 110 Cb 0.57 -0.32 0.95 0.00 -0.00 0.00 0.00 43.42 44.62 1itf n LEU 110 CO 0.51 -0.43 1.09 0.00 -0.00 0.00 0.00 177.39 178.56 1itf h MET 111 N 0.00 0.00 -0.31 1.47 -0.00 -2.00 -0.77 114.93 113.32 1itf h MET 111 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 59.70 59.76 1itf h MET 111 Cb 0.69 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.27 1itf h MET 111 CO 0.00 0.00 0.22 1.57 -0.00 0.00 0.00 176.91 178.70 1itf h LYS 112 N 0.00 0.16 0.00 -0.10 5.09 -1.55 0.98 116.57 121.15 1itf h LYS 112 Ca 0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 60.65 60.62 1itf h LYS 112 Cb 0.25 -0.04 -0.02 0.00 0.10 0.00 0.00 32.23 32.52 1itf h LYS 112 CO 0.00 0.11 -0.80 1.49 -2.09 0.00 0.00 179.45 178.15 1itf h GLU 113 N 0.16 0.00 0.00 0.07 4.81 -1.40 -3.27 114.58 114.95 1itf h GLU 113 Ca 0.14 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1itf h GLU 113 Cb 0.35 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1itf h GLU 113 CO -0.02 0.35 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.01 1itf h ASP 114 N 0.00 0.00 -0.24 1.04 5.19 -0.84 0.72 116.42 122.30 1itf h ASP 114 Ca -0.05 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.29 1itf h ASP 114 Cb 1.39 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 1itf h ASP 114 CO 0.05 0.16 -0.11 0.77 -3.12 0.00 0.00 179.24 176.99 1itf h SER 115 N 0.00 0.51 -0.16 6.45 4.64 -1.53 0.32 113.55 123.78 1itf h SER 115 Ca -0.00 -0.41 -0.15 0.00 -0.47 0.00 0.00 61.79 60.77 1itf h SER 115 Cb 0.32 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1itf h SER 115 CO 0.02 0.80 -0.41 0.40 -0.87 0.00 0.00 176.83 176.78 1itf h ILE 116 N 0.22 1.29 -0.05 0.95 2.04 -1.52 -2.30 117.51 118.13 1itf h ILE 116 Ca 0.05 -1.59 -0.05 0.00 1.00 0.00 0.00 64.86 64.28 1itf h ILE 116 Cb 0.61 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1itf h ILE 116 CO 0.03 0.51 -0.19 -0.07 0.00 0.00 0.00 178.15 178.43 1itf h LEU 117 N 0.57 0.08 -0.03 1.44 3.38 0.64 0.23 115.31 121.63 1itf h LEU 117 Ca 0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1itf h LEU 117 Cb 0.95 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1itf h LEU 117 CO 0.09 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1itf h ALA 118 N 1.73 0.03 0.00 1.53 0.00 0.09 -0.69 119.26 121.96 1itf h ALA 118 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1itf h ALA 118 Cb 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1itf h ALA 118 CO 0.03 -0.30 -0.12 0.28 0.00 0.00 0.00 179.25 179.14 1itf h VAL 119 N -0.25 0.82 -0.36 0.00 2.07 -0.89 -1.62 116.25 116.01 1itf h VAL 119 Ca 0.01 -0.44 -0.14 0.00 0.82 0.00 0.00 66.70 66.96 1itf h VAL 119 Cb 0.32 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1itf h VAL 119 CO 0.00 0.11 -0.30 -0.09 0.02 0.00 0.00 177.57 177.31 1itf h ARG 120 N 0.00 0.85 -0.34 1.57 2.43 0.12 0.03 114.38 119.04 1itf h ARG 120 Ca -0.00 -0.42 -0.15 0.00 -0.81 0.00 0.00 59.98 58.60 1itf h ARG 120 Cb 0.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1itf h ARG 120 CO 0.01 1.06 -0.37 0.87 -1.51 0.00 0.00 179.97 180.04 1itf h LYS 121 N 0.64 0.80 -0.23 0.20 1.57 -0.50 0.32 116.57 119.36 1itf h LYS 121 Ca 0.07 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1itf h LYS 121 Cb 0.88 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1itf h LYS 121 CO 0.08 1.03 0.06 -0.92 -0.57 0.00 0.00 179.45 179.13 1itf h TYR 122 N 0.66 0.39 0.00 -1.35 3.20 -1.22 -1.89 116.97 116.75 1itf h TYR 122 Ca 0.06 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1itf h TYR 122 Cb 0.93 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 1itf h TYR 122 CO 0.05 0.46 -0.22 0.74 -1.64 0.00 0.00 178.16 177.56 1itf h PHE 123 N 0.20 0.00 -0.54 -3.82 -1.00 -0.89 -2.32 116.94 108.56 1itf h PHE 123 Ca 0.07 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.74 1itf h PHE 123 Cb 0.27 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 1itf h PHE 123 CO 0.01 0.22 -0.09 0.37 -1.61 0.00 0.00 178.31 177.20 1itf h GLN 124 N 0.00 1.01 -0.29 1.51 4.15 0.16 0.26 115.11 121.91 1itf h GLN 124 Ca -0.00 -0.36 -0.14 0.00 0.77 0.00 0.00 58.65 58.91 1itf h GLN 124 Cb 0.74 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1itf h GLN 124 CO 0.03 1.05 -0.39 -0.09 -1.93 0.00 0.00 178.83 177.50 1itf h ARG 125 N 0.91 0.69 -0.64 1.69 2.43 -1.04 -1.59 114.38 116.83 1itf h ARG 125 Ca 0.14 -0.35 -0.08 0.00 -0.81 0.00 0.00 59.98 58.89 1itf h ARG 125 Cb 0.65 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1itf h ARG 125 CO 0.05 0.96 0.09 0.82 -1.51 0.00 0.00 179.97 180.37 1itf h ILE 126 N 0.57 1.26 -0.39 1.20 2.04 -1.06 0.56 117.51 121.69 1itf h ILE 126 Ca 0.05 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 1itf h ILE 126 Cb 0.91 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1itf h ILE 126 CO 0.08 0.39 -0.07 0.74 0.00 0.00 0.00 178.15 179.29 1itf h THR 127 N 0.99 1.27 -0.32 -0.27 2.02 -0.73 -2.13 112.91 113.75 1itf h THR 127 Ca 0.19 -1.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.13 1itf h THR 127 Cb 0.45 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1itf h THR 127 CO 0.02 0.38 -0.23 0.25 0.37 0.00 0.00 175.52 176.30 1itf h LEU 128 N 0.55 0.62 -0.94 2.58 5.85 -1.12 -2.07 115.31 120.79 1itf h LEU 128 Ca 0.10 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1itf h LEU 128 Cb 0.58 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1itf h LEU 128 CO 0.03 0.84 0.62 0.22 -0.34 0.00 0.00 178.44 179.82 1itf h TYR 129 N 0.54 1.18 -0.39 1.25 3.20 -0.65 0.14 116.97 122.24 1itf h TYR 129 Ca 0.08 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.84 1itf h TYR 129 Cb 0.69 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1itf h TYR 129 CO 0.03 0.74 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.92 1itf h LEU 130 N 1.27 0.90 -1.22 2.82 3.38 -1.05 -1.75 115.31 119.66 1itf h LEU 130 Ca 0.34 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1itf h LEU 130 Cb -0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.35 1itf h LEU 130 CO -0.08 1.13 -0.35 0.11 0.09 0.00 0.00 178.44 179.35 1itf h LYS 131 N 0.72 0.00 0.36 1.13 1.79 -0.67 0.72 116.57 120.62 1itf h LYS 131 Ca 0.08 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1itf h LYS 131 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1itf h LYS 131 CO 0.08 0.35 -0.17 1.49 -1.08 0.00 0.00 179.45 180.11 1itf h GLU 132 N 0.00 -0.47 0.00 3.15 4.22 -0.35 -2.97 114.58 118.16 1itf h GLU 132 Ca -0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1itf h GLU 132 Cb 0.72 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1itf h GLU 132 CO 0.04 -0.18 0.00 1.63 -2.18 0.00 0.00 179.01 178.33 1itf n LYS 133 N -5.11 0.79 -3.57 1.92 4.01 -0.69 -4.87 118.16 110.62 1itf n LYS 133 Ca -0.08 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.51 1itf n LYS 133 Cb 0.26 -1.50 0.07 0.00 -0.51 0.00 0.00 35.03 33.35 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 -1.01 -6.42 -3.42 1.97 4.76 0.13 -2.85 118.16 111.31 1itf n LYS 134 Ca 0.19 0.77 -0.18 0.00 -2.87 0.00 0.00 58.31 56.22 1itf n LYS 134 Cb 0.09 -5.68 0.07 0.00 -1.84 0.00 0.00 35.03 27.67 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 -4.40 -2.23 -2.04 2.13 4.01 0.21 -4.99 117.16 109.86 1itf n TYR 135 Ca -0.20 0.85 -0.30 0.00 -0.16 0.00 0.00 57.90 58.09 1itf n TYR 135 Cb 0.64 -4.45 0.02 0.00 -0.31 0.00 0.00 39.34 35.24 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 -3.89 5.91 0.19 7.72 0.01 -1.13 -4.91 113.70 117.59 1itf s SER 136 Ca 0.23 1.18 -0.07 0.00 1.31 0.00 0.00 55.95 58.60 1itf s SER 136 Cb -0.04 -2.18 0.10 0.00 0.21 0.00 0.00 66.02 64.11 1itf s SER 136 CO 0.76 -1.01 1.57 1.55 0.41 0.00 0.00 173.24 176.52 1itf h PRO 137 N -0.34 0.82 -0.19 12.44 0.13 -1.94 -0.19 132.00 142.73 1itf h PRO 137 Ca -0.45 -0.38 -0.19 0.00 -0.87 0.00 0.00 66.00 64.11 1itf h PRO 137 Cb 1.22 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1itf h PRO 137 CO 0.62 1.01 -0.66 0.00 -0.23 0.00 0.00 178.00 178.74 1itf h ALA 139 N 0.73 1.09 -0.16 0.00 0.00 -1.87 -1.62 119.26 117.42 1itf h ALA 139 Ca -0.02 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1itf h ALA 139 Cb 1.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1itf h ALA 139 CO 0.13 0.58 -0.44 -1.49 0.00 0.00 0.00 179.25 178.04 1itf h TRP 140 N 0.82 0.47 -0.28 0.00 4.06 -0.88 -1.60 115.95 118.55 1itf h TRP 140 Ca 0.17 -0.14 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 1itf h TRP 140 Cb 0.41 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1itf h TRP 140 CO 0.02 0.77 0.09 1.49 -3.56 0.00 0.00 178.44 177.25 1itf h GLU 141 N 0.32 0.42 -0.70 0.49 4.57 -0.55 0.37 114.58 119.50 1itf h GLU 141 Ca 0.02 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1itf h GLU 141 Cb 0.91 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 1itf h GLU 141 CO 0.08 0.48 0.28 0.28 -1.18 0.00 0.00 179.01 178.95 1itf h VAL 142 N 0.28 1.24 0.00 0.32 2.07 -1.21 -1.38 116.25 117.57 1itf h VAL 142 Ca 0.09 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 1itf h VAL 142 Cb 0.23 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1itf h VAL 142 CO -0.00 0.30 -0.34 0.58 0.02 0.00 0.00 177.57 178.13 1itf h VAL 143 N 1.01 0.80 -0.15 2.57 2.07 -0.90 -1.02 116.25 120.64 1itf h VAL 143 Ca 0.24 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 1itf h VAL 143 Cb 0.19 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1itf h VAL 143 CO -0.02 0.34 -0.13 -0.09 0.02 0.00 0.00 177.57 177.68 1itf h ARG 144 N 0.00 0.35 -0.11 1.57 2.43 0.79 0.76 114.38 120.18 1itf h ARG 144 Ca -0.00 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 58.86 1itf h ARG 144 Cb 0.88 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1itf h ARG 144 CO 0.04 0.73 -0.47 0.00 -1.51 0.00 0.00 179.97 178.76 1itf h ALA 145 N 0.62 1.00 -0.26 2.80 0.00 -1.31 -0.97 119.26 121.14 1itf h ALA 145 Ca 0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1itf h ALA 145 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1itf h ALA 145 CO 0.03 0.64 -0.37 0.93 0.00 0.00 0.00 179.25 180.48 1itf h GLU 146 N 0.21 0.59 0.01 0.00 4.39 -1.06 -0.66 114.58 118.07 1itf h GLU 146 Ca 0.01 -0.29 -0.21 0.00 0.34 0.00 0.00 59.36 59.22 1itf h GLU 146 Cb 0.92 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1itf h GLU 146 CO 0.07 0.87 -0.92 0.82 -1.16 0.00 0.00 179.01 178.70 1itf h ILE 147 N 0.49 1.49 -0.23 3.13 1.08 -0.61 -0.91 117.51 121.95 1itf h ILE 147 Ca 0.05 -2.67 -0.20 0.00 -0.39 0.00 0.00 64.86 61.64 1itf h ILE 147 Cb 0.87 2.52 0.00 0.00 -3.07 0.00 0.00 36.82 37.15 1itf h ILE 147 CO 0.07 0.78 -0.65 -0.03 -0.69 0.00 0.00 178.15 177.64 1itf h MET 148 N 0.12 0.85 -0.09 2.37 4.05 -1.05 -0.27 114.93 120.91 1itf h MET 148 Ca -0.05 -0.60 -0.18 0.00 -0.28 0.00 0.00 59.70 58.58 1itf h MET 148 Cb 1.57 0.10 0.01 0.00 -0.80 0.00 0.00 31.60 32.47 1itf h MET 148 CO 0.14 1.22 -0.66 -0.09 0.23 0.00 0.00 176.91 177.75 1itf h ARG 149 N 0.62 0.61 -0.62 0.39 1.12 -1.15 -2.17 114.38 113.18 1itf h ARG 149 Ca -0.01 -0.54 -0.09 0.00 -1.11 0.00 0.00 59.98 58.23 1itf h ARG 149 Cb 1.27 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 31.33 1itf h ARG 149 CO 0.14 1.15 0.02 0.77 -3.11 0.00 0.00 179.97 178.94 1itf h SER 150 N 0.24 1.05 -0.58 -3.80 0.02 -1.19 -0.43 113.55 108.86 1itf h SER 150 Ca -0.06 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.52 1itf h SER 150 Cb 1.32 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 1itf h SER 150 CO 0.14 1.09 0.09 0.15 -1.14 0.00 0.00 176.83 177.16 1itf h PHE 151 N 0.98 1.04 -0.57 3.45 3.57 -1.06 -0.97 116.94 123.38 1itf h PHE 151 Ca 0.18 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1itf h PHE 151 Cb 0.54 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1itf h PHE 151 CO 0.04 0.89 0.03 1.03 -2.23 0.00 0.00 178.31 178.06 1itf h SER 152 N 0.93 0.92 0.09 0.41 0.87 -1.06 -0.83 113.55 114.87 1itf h SER 152 Ca 0.19 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1itf h SER 152 Cb 0.41 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1itf h SER 152 CO 0.01 0.96 -0.15 -0.07 -0.53 0.00 0.00 176.83 177.05 1itf h LEU 153 N 0.88 0.13 -0.01 2.23 3.38 -0.45 0.18 115.31 121.66 1itf h LEU 153 Ca 0.17 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 1itf h LEU 153 Cb 0.48 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1itf h LEU 153 CO 0.02 0.30 -0.77 0.28 0.09 0.00 0.00 178.44 178.36 1itf h SER 154 N 0.13 0.00 -0.01 -0.43 0.02 -0.49 -3.24 113.55 109.53 1itf h SER 154 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1itf h SER 154 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1itf h SER 154 CO 0.02 0.77 -0.05 0.35 -1.14 0.00 0.00 176.83 176.78 1itf n THR 155 N -3.30 0.00 0.68 -2.27 -2.24 -0.38 -4.12 114.28 102.66 1itf n THR 155 Ca 0.01 -0.39 0.08 0.00 -2.27 0.00 0.00 64.05 61.48 1itf n THR 155 Cb 0.84 1.14 0.39 0.00 -2.10 0.00 0.00 70.33 70.60 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 0.80 0.00 -0.09 3.42 6.94 0.57 -2.71 115.26 124.19 1itf n ASN 156 Ca 0.15 0.27 -0.07 0.00 -0.02 0.00 0.00 54.58 54.91 1itf n ASN 156 Cb 0.51 -0.39 0.11 0.00 -2.36 0.00 0.00 39.78 37.64 1itf n ASN 156 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1itf h LEU 157 N 0.00 0.78 -0.40 -4.53 -0.00 -1.79 0.19 115.31 109.55 1itf h LEU 157 Ca 0.00 -0.26 -0.17 0.00 -0.00 0.00 0.00 57.88 57.45 1itf h LEU 157 Cb 0.22 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 1itf h LEU 157 CO 0.00 0.95 -0.80 1.56 -0.00 0.00 0.00 178.44 180.15 1itf h GLN 158 N 0.69 0.07 -0.04 1.13 4.20 -1.83 -3.03 115.11 116.30 1itf h GLN 158 Ca 0.11 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1itf h GLN 158 Cb 0.67 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1itf h GLN 158 CO 0.05 0.83 0.00 0.39 -0.67 0.00 0.00 178.83 179.43 1itf n GLU 159 N -3.64 1.66 -0.27 1.46 1.02 -1.03 -4.31 120.64 115.52 1itf n GLU 159 Ca -0.02 -0.96 0.07 0.00 -0.02 0.00 0.00 57.16 56.23 1itf n GLU 159 Cb 0.76 -1.47 0.20 0.00 -0.02 0.00 0.00 31.44 30.91 1itf n GLU 159 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1itf h SER 160 N 2.28 -0.24 -2.25 1.62 0.02 -0.50 -3.27 113.55 111.21 1itf h SER 160 Ca 0.00 0.20 -0.54 0.00 -0.84 0.00 0.00 61.79 60.61 1itf h SER 160 Cb 0.49 0.32 -0.08 0.00 0.14 0.00 0.00 62.40 63.27 1itf h SER 160 CO 0.00 -0.17 1.11 -0.76 -1.14 0.00 0.00 176.83 175.87 1itf s LEU 161 N -10.76 3.19 0.04 5.07 2.01 -1.26 -4.73 118.68 112.24 1itf s LEU 161 Ca -0.13 -0.43 -0.00 0.00 0.01 0.00 0.00 54.13 53.58 1itf s LEU 161 Cb 0.23 -2.56 -0.00 0.00 0.01 0.00 0.00 46.19 43.87 1itf s LEU 161 CO 0.76 -1.88 -0.01 -1.14 1.01 0.00 0.00 176.35 175.09 1itf n ARG 162 N 9.33 0.01 -4.26 1.70 0.63 -1.23 -5.13 116.66 117.71 1itf n ARG 162 Ca 0.06 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.86 1itf n ARG 162 Cb 0.49 -0.25 -0.10 0.00 0.45 0.00 0.00 32.46 33.05 1itf n ARG 162 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1itf s SER 163 N -5.40 0.87 -0.47 6.15 1.04 -1.26 -5.11 113.70 109.51 1itf s SER 163 Ca -0.01 -1.34 0.04 0.00 0.48 0.00 0.00 55.95 55.13 1itf s SER 163 Cb 0.00 0.22 0.17 0.00 0.10 0.00 0.00 66.02 66.51 1itf s SER 163 CO 0.01 -0.73 0.36 -0.75 0.98 0.00 0.00 173.24 173.11 1itf s LYS 164 N -4.05 1.20 0.00 4.02 2.47 -1.26 -5.22 119.74 116.90 1itf s LYS 164 Ca 0.35 -2.30 0.00 0.00 -1.56 0.00 0.00 55.97 52.46 1itf s LYS 164 Cb 0.07 -1.83 0.00 0.00 -1.46 0.00 0.00 37.83 34.61 1itf s LYS 164 CO 0.11 -1.35 0.00 -1.91 0.16 0.00 0.00 175.35 172.36