#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 -0.84 -4.43 0.00 5.75 -1.26 -5.07 116.55 110.69 1itf n ASP 2 Ca 0.00 -3.22 -0.47 0.00 -0.01 0.00 0.00 54.79 51.09 1itf n ASP 2 Cb 0.00 0.55 -0.11 0.00 -1.03 0.00 0.00 41.12 40.52 1itf n ASP 2 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1itf n LEU 3 N 0.71 0.97 -4.79 -2.12 4.77 -1.26 -4.87 117.00 110.41 1itf n LEU 3 Ca 0.16 0.25 -0.39 0.00 -0.03 0.00 0.00 56.01 56.01 1itf n LEU 3 Cb 0.65 -1.06 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 1itf n LEU 3 CO 0.13 -0.85 0.47 -2.16 -1.33 0.00 0.00 177.39 173.65 1itf s PRO 4 N 7.71 4.49 -0.46 3.23 0.04 -1.26 -5.00 135.00 143.74 1itf s PRO 4 Ca 1.23 1.10 0.06 0.00 0.04 0.00 0.00 61.00 63.42 1itf s PRO 4 Cb -1.11 -3.16 0.32 0.00 0.04 0.00 0.00 34.50 30.59 1itf s PRO 4 CO 0.50 0.52 1.11 0.94 0.04 0.00 0.00 177.00 180.11 1itf n GLN 5 N 1.36 1.01 0.10 4.56 7.27 -1.26 -4.99 117.38 125.42 1itf n GLN 5 Ca -0.05 -1.92 0.00 0.00 0.07 0.00 0.00 57.00 55.10 1itf n GLN 5 Cb 0.49 -1.06 0.00 0.00 2.41 0.00 0.00 30.24 32.09 1itf n GLN 5 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1itf n THR 6 N 0.43 0.00 -1.91 1.69 -2.24 -1.26 -5.14 114.28 105.85 1itf n THR 6 Ca 0.06 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1itf n THR 6 Cb 0.70 -0.27 0.06 0.00 -2.10 0.00 0.00 70.33 68.72 1itf n THR 6 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1itf n HIS 7 N -3.01 -3.57 -1.39 4.78 8.25 -1.26 -5.05 115.22 113.96 1itf n HIS 7 Ca 0.00 -0.58 -0.31 0.00 -0.26 0.00 0.00 57.72 56.57 1itf n HIS 7 Cb 0.00 -0.33 0.08 0.00 1.12 0.00 0.00 29.99 30.85 1itf n HIS 7 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1itf s SER 8 N -2.71 4.76 0.26 0.41 1.04 -1.26 -5.02 113.70 111.18 1itf s SER 8 Ca 0.27 1.81 -0.14 0.00 0.48 0.00 0.00 55.95 58.37 1itf s SER 8 Cb -0.01 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.51 1itf s SER 8 CO 0.18 -1.86 0.66 -0.76 0.98 0.00 0.00 173.24 172.44 1itf s LEU 9 N -5.69 4.17 0.44 2.42 1.43 -1.26 -4.96 118.68 115.22 1itf s LEU 9 Ca 0.61 1.17 0.21 0.00 -1.03 0.00 0.00 54.13 55.10 1itf s LEU 9 Cb -0.17 -3.78 1.01 0.00 0.03 0.00 0.00 46.19 43.28 1itf s LEU 9 CO 0.54 -0.09 1.89 1.23 0.23 0.00 0.00 176.35 180.15 1itf h GLY 10 N 2.69 0.00 1.14 -3.19 0.00 -1.99 -2.73 103.07 99.00 1itf h GLY 10 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1itf h GLY 10 CO 0.66 0.00 0.52 1.48 0.00 0.00 0.00 176.54 179.21 1itf h SER 11 N 0.00 1.00 -0.72 0.19 4.64 -1.96 0.19 113.55 116.89 1itf h SER 11 Ca -0.00 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1itf h SER 11 Cb 0.61 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1itf h SER 11 CO 0.03 0.76 0.30 -0.09 -0.87 0.00 0.00 176.83 176.96 1itf h ARG 12 N 1.16 1.07 -0.17 4.77 9.65 -1.89 -1.51 114.38 127.46 1itf h ARG 12 Ca 0.31 -0.19 -0.15 0.00 -1.10 0.00 0.00 59.98 58.84 1itf h ARG 12 Cb -0.07 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 1itf h ARG 12 CO -0.06 0.88 -0.54 -0.09 2.80 0.00 0.00 179.97 182.96 1itf h ARG 13 N 1.03 0.51 -0.42 0.20 9.65 -1.43 -1.17 114.38 122.75 1itf h ARG 13 Ca 0.24 -0.31 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 1itf h ARG 13 Cb 0.20 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 1itf h ARG 13 CO -0.02 0.91 0.18 1.15 2.80 0.00 0.00 179.97 184.99 1itf h THR 14 N 0.39 1.19 -0.08 0.20 2.02 -0.61 -0.07 112.91 115.95 1itf h THR 14 Ca 0.01 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.53 1itf h THR 14 Cb 1.06 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1itf h THR 14 CO 0.10 0.21 -0.37 -0.07 0.37 0.00 0.00 175.52 175.76 1itf h LEU 15 N 0.53 0.17 -0.89 2.58 3.38 -1.23 -1.98 115.31 117.87 1itf h LEU 15 Ca 0.14 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1itf h LEU 15 Cb 0.16 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1itf h LEU 15 CO -0.01 0.54 0.14 -0.03 0.09 0.00 0.00 178.44 179.16 1itf h MET 16 N 0.15 0.95 -0.61 1.13 4.05 -0.51 -1.59 114.93 118.50 1itf h MET 16 Ca 0.02 -0.21 -0.05 0.00 -0.28 0.00 0.00 59.70 59.17 1itf h MET 16 Cb 0.73 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 1itf h MET 16 CO 0.05 0.86 0.19 -0.07 0.23 0.00 0.00 176.91 178.17 1itf h LEU 17 N 0.91 0.90 -1.93 3.39 3.38 -0.43 -1.63 115.31 119.89 1itf h LEU 17 Ca 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1itf h LEU 17 Cb 0.34 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1itf h LEU 17 CO 0.00 0.87 0.04 -0.07 0.09 0.00 0.00 178.44 179.37 1itf h LEU 18 N 0.88 0.07 -0.26 1.67 3.38 -0.68 -0.76 115.31 119.61 1itf h LEU 18 Ca 0.20 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.95 1itf h LEU 18 Cb 0.30 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1itf h LEU 18 CO -0.01 0.06 -0.83 0.00 0.09 0.00 0.00 178.44 177.75 1itf h ALA 19 N 1.96 0.44 -0.32 1.53 0.00 -0.43 -3.16 119.26 119.28 1itf h ALA 19 Ca 0.02 -0.65 -0.17 0.00 0.00 0.00 0.00 54.91 54.12 1itf h ALA 19 Cb -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1itf h ALA 19 CO -0.00 0.76 -0.46 1.96 0.00 0.00 0.00 179.25 181.50 1itf h GLN 20 N 0.32 0.84 0.00 0.00 4.20 -0.39 -2.97 115.11 117.11 1itf h GLN 20 Ca -0.06 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.16 1itf h GLN 20 Cb 1.44 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.25 1itf h GLN 20 CO 0.15 1.12 -0.07 0.00 -0.67 0.00 0.00 178.83 179.36 1itf h MET 21 N 0.67 0.00 -5.80 1.46 -0.00 -1.23 -3.42 114.93 106.61 1itf h MET 21 Ca 0.04 0.00 -0.57 0.00 -0.00 0.00 0.00 59.70 59.17 1itf h MET 21 Cb 1.05 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.64 1itf h MET 21 CO 0.10 0.07 1.53 -2.13 -0.00 0.00 0.00 176.91 176.49 1itf n ARG 22 N -3.36 1.27 -0.05 -0.10 0.63 -1.12 -4.75 116.66 109.18 1itf n ARG 22 Ca -0.01 0.26 -0.19 0.00 -0.92 0.00 0.00 57.85 56.99 1itf n ARG 22 Cb 0.24 -2.93 -0.13 0.00 0.45 0.00 0.00 32.46 30.09 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 8.64 0.71 -3.51 -0.14 4.01 -1.26 -4.97 118.16 121.64 1itf n LYS 23 Ca 0.38 0.21 -0.21 0.00 -0.51 0.00 0.00 58.31 58.19 1itf n LYS 23 Cb 0.38 -1.63 -0.02 0.00 -0.51 0.00 0.00 35.03 33.24 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 -2.54 2.63 0.07 -0.18 -4.36 -1.26 -5.12 121.20 110.43 1itf s ILE 24 Ca -0.26 -1.31 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1itf s ILE 24 Cb 0.08 -2.94 -0.04 0.00 1.25 0.00 0.00 42.46 40.80 1itf s ILE 24 CO 0.71 0.00 0.19 -0.44 0.24 0.00 0.00 174.94 175.64 1itf s SER 25 N -4.17 6.21 0.43 4.36 0.01 -1.26 -4.99 113.70 114.29 1itf s SER 25 Ca 0.48 0.22 0.14 0.00 1.31 0.00 0.00 55.95 58.10 1itf s SER 25 Cb -0.04 -1.87 0.94 0.00 0.21 0.00 0.00 66.02 65.26 1itf s SER 25 CO 0.28 0.17 1.96 0.25 0.41 0.00 0.00 173.24 176.31 1itf h LEU 26 N 3.10 0.01 -0.66 2.44 5.85 -1.91 -1.62 115.31 122.51 1itf h LEU 26 Ca -0.45 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.14 1itf h LEU 26 Cb 1.16 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1itf h LEU 26 CO 0.74 0.23 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.56 1itf h PHE 27 N 0.01 0.88 0.00 1.25 0.04 -2.00 -1.74 116.94 115.38 1itf h PHE 27 Ca -0.00 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 1itf h PHE 27 Cb 0.39 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1itf h PHE 27 CO 0.00 0.94 -0.19 0.77 -0.60 0.00 0.00 178.31 179.23 1itf h SER 28 N 0.67 0.00 -1.91 2.17 0.02 -1.72 -3.07 113.55 109.71 1itf h SER 28 Ca 0.09 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.40 1itf h SER 28 Cb 0.77 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.93 1itf h SER 28 CO 0.06 0.19 -0.24 0.00 -1.14 0.00 0.00 176.83 175.70 1itf n LEU 30 N -0.37 0.37 0.04 0.00 4.77 -0.98 -3.13 117.00 117.70 1itf n LEU 30 Ca 0.40 -0.13 -0.07 0.00 -0.03 0.00 0.00 56.01 56.17 1itf n LEU 30 Cb 0.47 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1itf n LEU 30 CO 0.38 0.07 -0.04 0.11 -1.33 0.00 0.00 177.39 176.57 1itf h LYS 31 N 0.57 0.00 -0.52 3.23 1.79 -1.88 -3.27 116.57 116.50 1itf h LYS 31 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1itf h LYS 31 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1itf h LYS 31 CO 0.00 0.86 0.00 -0.25 -1.08 0.00 0.00 179.45 178.98 1itf n ASP 32 N -3.27 3.52 -4.60 0.86 8.00 -1.20 -4.94 116.55 114.92 1itf n ASP 32 Ca -0.05 -2.08 -0.43 0.00 0.71 0.00 0.00 54.79 52.94 1itf n ASP 32 Cb 0.97 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 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 -1.15 3.44 -0.13 -1.24 3.00 -1.18 -4.83 118.95 116.85 1itf s ARG 33 Ca 0.36 1.22 -0.10 0.00 -1.00 0.00 0.00 55.73 56.22 1itf s ARG 33 Cb 0.20 -4.13 0.04 0.00 0.00 0.00 0.00 34.95 31.06 1itf s ARG 33 CO 0.23 -1.74 0.33 -1.01 0.00 0.00 0.00 175.30 173.11 1itf s HIS 34 N 6.28 -0.41 -0.09 5.12 3.76 -1.26 -5.06 115.29 123.63 1itf s HIS 34 Ca 0.72 0.95 -0.30 0.00 -0.15 0.00 0.00 55.06 56.29 1itf s HIS 34 Cb -0.19 0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.62 1itf s HIS 34 CO 0.33 -0.23 1.13 0.34 -0.85 0.00 0.00 174.74 175.47 1itf s ASP 35 N 0.69 7.11 -0.06 1.40 -1.08 -1.26 -4.94 116.67 118.53 1itf s ASP 35 Ca -0.04 1.68 -0.26 0.00 -0.52 0.00 0.00 52.55 53.40 1itf s ASP 35 Cb -0.05 -2.55 -0.22 0.00 -1.46 0.00 0.00 42.92 38.63 1itf s ASP 35 CO -0.05 -0.56 1.07 -0.26 0.52 0.00 0.00 175.17 175.89 1itf h PHE 36 N 7.41 -0.02 0.00 -5.34 -1.00 -1.97 -3.49 116.94 112.53 1itf h PHE 36 Ca -0.31 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.47 1itf h PHE 36 Cb 1.14 0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.71 1itf h PHE 36 CO 0.73 0.62 0.00 0.41 -1.61 0.00 0.00 178.31 178.46 1itf n GLY 37 N 0.69 0.59 3.72 -1.45 0.00 -1.26 -5.04 105.19 102.44 1itf n GLY 37 Ca -0.09 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.31 3.34 -1.47 1.61 5.36 -1.26 -4.73 117.98 120.52 1itf s PHE 38 Ca 0.00 1.18 -0.13 0.00 -0.96 0.00 0.00 56.93 57.02 1itf s PHE 38 Cb 0.00 -3.55 -0.01 0.00 -0.34 0.00 0.00 43.02 39.13 1itf s PHE 38 CO 0.00 -1.76 2.42 -0.35 -1.46 0.00 0.00 175.22 174.07 1itf n PRO 39 N 3.51 3.02 0.12 10.12 -0.04 -1.26 -4.60 135.00 145.87 1itf n PRO 39 Ca 0.09 -2.44 0.12 0.00 -0.04 0.00 0.00 63.50 61.23 1itf n PRO 39 Cb 0.44 -3.12 0.45 0.00 -0.04 0.00 0.00 33.50 31.23 1itf n PRO 39 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1itf n GLN 40 N 5.40 0.22 0.21 0.54 0.00 -1.26 -2.54 117.38 119.96 1itf n GLN 40 Ca 0.59 0.31 0.06 0.00 -0.00 0.00 0.00 57.00 57.97 1itf n GLN 40 Cb 0.34 -1.83 0.56 0.00 0.00 0.00 0.00 30.24 29.31 1itf n GLN 40 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1itf h GLU 41 N 0.00 0.08 -0.90 3.69 3.07 -2.01 0.27 114.58 118.78 1itf h GLU 41 Ca 0.00 -0.01 -0.28 0.00 -0.50 0.00 0.00 59.36 58.57 1itf h GLU 41 Cb 0.55 -0.02 -0.17 0.00 -0.84 0.00 0.00 28.75 28.28 1itf h GLU 41 CO 0.00 0.12 0.36 -1.91 -1.40 0.00 0.00 179.01 176.17 1itf n GLU 42 N -4.46 2.62 -2.69 2.33 2.13 -1.05 -4.19 120.64 115.33 1itf n GLU 42 Ca -0.02 -2.38 -0.14 0.00 0.66 0.00 0.00 57.16 55.28 1itf n GLU 42 Cb 0.14 -1.98 0.02 0.00 0.27 0.00 0.00 31.44 29.89 1itf n GLU 42 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1itf n PHE 43 N -0.39 1.56 0.00 4.31 3.72 0.94 -4.92 117.46 122.68 1itf n PHE 43 Ca 0.39 -2.99 0.00 0.00 -0.05 0.00 0.00 57.45 54.80 1itf n PHE 43 Cb 1.29 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 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 -0.11 1.25 3.77 1.37 0.00 -1.25 -4.75 105.19 105.47 1itf n GLY 44 Ca 0.17 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1itf n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1itf s ASN 45 N 1.00 7.06 -0.94 1.61 3.84 -1.26 -2.95 114.94 123.30 1itf s ASN 45 Ca 0.00 2.12 0.00 0.00 0.21 0.00 0.00 52.86 55.19 1itf s ASN 45 Cb 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1itf s ASN 45 CO 0.00 -0.28 0.00 0.00 -2.79 0.00 0.00 177.10 174.03 1itf n GLN 46 N 0.61 -0.62 -2.81 0.43 6.02 -1.26 -4.88 117.38 114.87 1itf n GLN 46 Ca 0.02 0.81 -0.00 0.00 -0.01 0.00 0.00 57.00 57.81 1itf n GLN 46 Cb 0.47 -4.68 0.05 0.00 1.02 0.00 0.00 30.24 27.10 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 -2.74 1.27 -0.07 1.08 3.72 -1.15 -4.56 117.46 115.01 1itf n PHE 47 Ca -0.09 -2.12 0.00 0.00 -0.05 0.00 0.00 57.45 55.19 1itf n PHE 47 Cb 0.29 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 1itf n PHE 47 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1itf n GLN 48 N -0.59 0.76 -0.00 -1.08 3.00 -1.26 -4.14 117.38 114.07 1itf n GLN 48 Ca 0.08 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1itf n GLN 48 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 31.05 1itf n GLN 48 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1itf h LYS 49 N 0.00 -0.00 -1.19 -1.09 3.64 -1.96 -2.21 116.57 113.76 1itf h LYS 49 Ca 0.00 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.93 1itf h LYS 49 Cb 0.00 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.61 1itf h LYS 49 CO 0.00 -0.00 0.58 0.00 -2.27 0.00 0.00 179.45 177.76 1itf n ALA 50 N -2.75 5.37 -0.01 5.00 0.00 -1.26 -4.04 120.51 122.82 1itf n ALA 50 Ca -0.00 -2.36 -0.01 0.00 0.00 0.00 0.00 53.44 51.06 1itf n ALA 50 Cb 0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.39 2.94 -0.24 0.00 -0.58 -0.84 -4.02 120.64 117.51 1itf n GLU 51 Ca 0.45 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 57.27 1itf n GLU 51 Cb 0.86 -1.05 0.18 0.00 -0.57 0.00 0.00 31.44 30.86 1itf n GLU 51 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1itf n THR 52 N -2.17 1.93 -0.19 2.62 5.66 -1.15 -4.72 114.28 116.25 1itf n THR 52 Ca -0.03 -1.91 -0.04 0.00 -3.05 0.00 0.00 64.05 59.02 1itf n THR 52 Cb 0.56 -0.13 0.06 0.00 -1.55 0.00 0.00 70.33 69.27 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 0.94 0.99 0.00 1.09 2.04 -1.82 0.18 117.51 120.93 1itf h ILE 53 Ca 0.00 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1itf h ILE 53 Cb 1.13 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1itf h ILE 53 CO 0.10 0.11 -0.20 1.55 0.00 0.00 0.00 178.15 179.70 1itf h PRO 54 N 0.60 0.00 0.02 2.37 0.13 -1.87 0.90 132.00 134.14 1itf h PRO 54 Ca 0.24 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.12 1itf h PRO 54 Cb 0.11 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.26 1itf h PRO 54 CO -0.15 0.20 -1.03 0.28 -0.23 0.00 0.00 178.00 177.08 1itf h VAL 55 N 0.00 1.34 -0.07 1.56 2.07 -1.48 -2.42 116.25 117.24 1itf h VAL 55 Ca -0.00 -2.39 -0.09 0.00 0.82 0.00 0.00 66.70 65.04 1itf h VAL 55 Cb 0.39 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1itf h VAL 55 CO 0.03 0.72 -0.36 -0.07 0.02 0.00 0.00 177.57 177.91 1itf h LEU 56 N 0.30 0.14 -0.09 2.57 3.38 0.00 0.37 115.31 121.99 1itf h LEU 56 Ca -0.11 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1itf h LEU 56 Cb 1.68 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 1itf h LEU 56 CO 0.19 0.49 -0.08 -0.74 0.09 0.00 0.00 178.44 178.40 1itf h HIS 57 N 0.12 0.24 -0.03 1.13 2.76 -0.75 0.15 115.15 118.77 1itf h HIS 57 Ca 0.01 -0.07 -0.15 0.00 -2.20 0.00 0.00 60.37 57.96 1itf h HIS 57 Cb 0.70 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 1itf h HIS 57 CO 0.01 0.62 -0.67 0.93 -1.30 0.00 0.00 177.93 177.52 1itf h GLU 58 N -0.20 0.12 -0.22 5.26 4.39 -1.35 -0.55 114.58 122.04 1itf h GLU 58 Ca 0.02 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 1itf h GLU 58 Cb 0.58 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1itf h GLU 58 CO 0.02 0.74 -0.48 1.98 -1.16 0.00 0.00 179.01 180.11 1itf h MET 59 N 0.09 0.72 0.00 2.33 4.05 -0.91 -0.07 114.93 121.13 1itf h MET 59 Ca -0.01 -0.48 -0.07 0.00 -0.28 0.00 0.00 59.70 58.86 1itf h MET 59 Cb 1.19 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 1itf h MET 59 CO 0.10 1.10 -0.36 0.82 0.23 0.00 0.00 176.91 178.80 1itf h ILE 60 N 0.44 0.97 -0.22 1.77 2.04 -0.92 -0.37 117.51 121.21 1itf h ILE 60 Ca 0.00 -1.37 -0.18 0.00 1.00 0.00 0.00 64.86 64.31 1itf h ILE 60 Cb 1.09 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1itf h ILE 60 CO 0.11 0.35 -0.59 -0.61 0.00 0.00 0.00 178.15 177.41 1itf h GLN 61 N 0.00 0.73 -0.43 2.37 -0.00 -0.84 0.24 115.11 117.18 1itf h GLN 61 Ca -0.00 -0.49 -0.10 0.00 -0.00 0.00 0.00 58.65 58.05 1itf h GLN 61 Cb 0.77 0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.30 1itf h GLN 61 CO 0.05 1.11 -0.16 1.96 0.00 0.00 0.00 178.83 181.79 1itf h GLN 62 N 0.55 0.80 -0.02 1.69 1.08 -0.45 -1.71 115.11 117.06 1itf h GLN 62 Ca 0.00 -0.29 -0.14 0.00 -1.45 0.00 0.00 58.65 56.77 1itf h GLN 62 Cb 1.18 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.54 1itf h GLN 62 CO 0.12 0.91 -0.65 0.82 -0.95 0.00 0.00 178.83 179.08 1itf h ILE 63 N 0.71 1.45 -0.13 2.54 2.04 -0.92 0.52 117.51 123.72 1itf h ILE 63 Ca 0.11 -2.17 -0.00 0.00 1.00 0.00 0.00 64.86 63.79 1itf h ILE 63 Cb 0.66 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1itf h ILE 63 CO 0.05 0.63 0.07 0.15 0.00 0.00 0.00 178.15 179.04 1itf h PHE 64 N 0.05 0.19 0.04 1.37 3.04 0.10 -0.45 116.94 121.27 1itf h PHE 64 Ca -0.01 -0.01 -0.25 0.00 3.98 0.00 0.00 57.97 61.68 1itf h PHE 64 Cb 1.15 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 39.61 1itf h PHE 64 CO 0.01 0.23 -1.05 -0.97 -2.02 0.00 0.00 178.31 174.51 1itf h ASN 65 N 0.10 0.65 -0.47 0.41 -0.73 -1.30 0.33 115.58 114.56 1itf h ASN 65 Ca 0.05 -0.55 0.06 0.00 1.87 0.00 0.00 56.30 57.72 1itf h ASN 65 Cb 0.11 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.47 1itf h ASN 65 CO -0.01 1.36 0.32 0.25 -0.37 0.00 0.00 177.43 178.98 1itf h LEU 66 N 0.25 0.36 0.00 0.34 5.85 -0.76 0.51 115.31 121.85 1itf h LEU 66 Ca -0.11 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.47 1itf h LEU 66 Cb 1.70 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 1itf h LEU 66 CO 0.19 0.24 -1.91 0.49 -0.34 0.00 0.00 178.44 177.10 1itf n PHE 67 N -4.47 0.28 0.40 1.25 3.01 -0.19 -4.13 117.46 113.60 1itf n PHE 67 Ca 0.06 0.09 0.13 0.00 1.01 0.00 0.00 57.45 58.74 1itf n PHE 67 Cb 0.24 -0.80 0.36 0.00 -0.01 0.00 0.00 39.48 39.27 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 -3.69 4.37 0.87 0.35 -3.18 113.55 112.27 1itf h SER 68 Ca -0.19 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.80 1itf h SER 68 Cb 1.48 0.00 0.17 0.00 -0.44 0.00 0.00 62.40 63.60 1itf h SER 68 CO 0.02 0.00 0.17 0.35 -0.53 0.00 0.00 176.83 176.84 1itf n THR 69 N -2.70 3.83 0.28 2.23 -2.24 0.11 -4.62 114.28 111.17 1itf n THR 69 Ca 0.04 -0.48 0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1itf n THR 69 Cb 0.43 -1.18 0.83 0.00 -2.10 0.00 0.00 70.33 68.31 1itf n THR 69 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1itf h LYS 70 N 0.34 0.00 0.02 -0.78 2.10 -1.91 0.35 116.57 116.69 1itf h LYS 70 Ca -0.49 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 57.95 1itf h LYS 70 Cb 1.36 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.68 1itf h LYS 70 CO 0.50 0.05 -0.94 0.38 -2.00 0.00 0.00 179.45 177.44 1itf h ASP 71 N 0.00 0.26 0.56 7.07 2.03 -1.94 -2.67 116.42 121.73 1itf h ASP 71 Ca -0.00 -0.23 -0.28 0.00 -0.73 0.00 0.00 57.03 55.79 1itf h ASP 71 Cb 0.13 -0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 38.52 1itf h ASP 71 CO 0.01 1.06 -1.53 -1.28 -1.03 0.00 0.00 179.24 176.47 1itf h SER 72 N 0.10 0.15 -0.38 4.15 0.87 -1.52 -2.08 113.55 114.84 1itf h SER 72 Ca -0.05 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.20 1itf h SER 72 Cb 1.60 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 1itf h SER 72 CO 0.14 1.21 0.03 -1.28 -0.53 0.00 0.00 176.83 176.40 1itf h SER 73 N 0.03 0.70 1.33 6.23 0.87 -0.32 -0.86 113.55 121.52 1itf h SER 73 Ca -0.22 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.08 1itf h SER 73 Cb 1.96 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.72 1itf h SER 73 CO 0.12 0.75 -0.70 0.00 -0.53 0.00 0.00 176.83 176.47 1itf h ALA 74 N 1.33 0.68 -0.11 6.23 0.00 -1.57 -3.26 119.26 122.56 1itf h ALA 74 Ca 0.14 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1itf h ALA 74 Cb 0.39 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1itf h ALA 74 CO 0.01 0.60 -0.40 0.00 0.00 0.00 0.00 179.25 179.46 1itf h ALA 75 N 1.56 1.12 -0.73 0.00 0.00 -0.60 -3.45 119.26 117.16 1itf h ALA 75 Ca -0.04 -0.40 -0.65 0.00 0.00 0.00 0.00 54.91 53.82 1itf h ALA 75 Cb 1.37 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 1itf h ALA 75 CO 0.05 0.58 -0.51 -1.58 0.00 0.00 0.00 179.25 177.79 1itf s TRP 76 N -4.17 2.02 0.20 0.00 0.52 -0.41 -5.01 118.94 112.08 1itf s TRP 76 Ca -0.05 -0.86 -0.30 0.00 0.02 0.00 0.00 56.10 54.91 1itf s TRP 76 Cb 0.13 -1.70 -0.09 0.00 -1.15 0.00 0.00 33.47 30.66 1itf s TRP 76 CO 0.77 0.20 1.35 -0.51 0.02 0.00 0.00 176.95 178.77 1itf s ASP 77 N -3.89 6.84 0.40 2.95 1.11 -1.26 -4.81 116.67 118.01 1itf s ASP 77 Ca 0.17 2.45 0.17 0.00 0.18 0.00 0.00 52.55 55.51 1itf s ASP 77 Cb 0.03 -2.61 0.86 0.00 1.07 0.00 0.00 42.92 42.27 1itf s ASP 77 CO 0.09 -0.58 1.86 1.05 1.18 0.00 0.00 175.17 178.77 1itf h GLU 78 N 5.49 0.00 0.08 8.23 9.09 -1.96 0.17 114.58 135.69 1itf h GLU 78 Ca -0.45 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 58.79 1itf h GLU 78 Cb 1.21 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.33 1itf h GLU 78 CO 0.79 0.32 -0.73 1.15 0.05 0.00 0.00 179.01 180.59 1itf h THR 79 N 0.00 1.47 -0.70 -1.06 2.02 -1.95 0.25 112.91 112.94 1itf h THR 79 Ca -0.00 -2.33 -0.04 0.00 0.77 0.00 0.00 66.41 64.80 1itf h THR 79 Cb 0.64 2.93 -0.03 0.00 -1.74 0.00 0.00 68.15 69.95 1itf h THR 79 CO 0.04 0.67 0.28 -0.07 0.37 0.00 0.00 175.52 176.81 1itf h LEU 80 N -0.24 0.95 -0.67 2.58 3.38 -1.92 -1.34 115.31 118.05 1itf h LEU 80 Ca -0.11 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 1itf h LEU 80 Cb 1.50 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1itf h LEU 80 CO 0.14 0.84 -0.57 -0.07 0.09 0.00 0.00 178.44 178.87 1itf h LEU 81 N 1.01 0.32 -0.26 1.67 3.38 -0.67 -1.97 115.31 118.78 1itf h LEU 81 Ca 0.24 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1itf h LEU 81 Cb 0.19 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1itf h LEU 81 CO -0.02 0.82 0.01 0.44 0.09 0.00 0.00 178.44 179.78 1itf h ASP 82 N 0.22 -0.08 -0.19 -0.43 3.32 0.60 0.35 116.42 120.20 1itf h ASP 82 Ca -0.00 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1itf h ASP 82 Cb 1.07 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1itf h ASP 82 CO 0.09 -0.01 -0.07 0.11 -1.72 0.00 0.00 179.24 177.64 1itf h LYS 83 N 0.09 0.52 -0.17 3.56 1.57 -1.27 -1.78 116.57 119.09 1itf h LYS 83 Ca 0.13 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1itf h LYS 83 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1itf h LYS 83 CO -0.20 0.60 -0.11 0.35 -0.57 0.00 0.00 179.45 179.52 1itf h PHE 84 N 0.49 0.28 0.02 -1.35 3.57 -0.20 -1.04 116.94 118.71 1itf h PHE 84 Ca 0.10 -0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.34 1itf h PHE 84 Cb 0.43 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1itf h PHE 84 CO 0.01 0.38 -0.99 1.88 -2.23 0.00 0.00 178.31 177.36 1itf h TYR 85 N 0.26 0.56 -0.42 0.41 0.05 0.40 -1.95 116.97 116.27 1itf h TYR 85 Ca 0.05 -0.32 -0.15 0.00 0.05 0.00 0.00 58.73 58.36 1itf h TYR 85 Cb 0.35 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1itf h TYR 85 CO 0.01 1.16 -0.33 1.15 -1.05 0.00 0.00 178.16 179.10 1itf h THR 86 N 0.19 1.27 -0.06 -2.88 2.02 -0.87 0.34 112.91 112.92 1itf h THR 86 Ca -0.09 -1.50 -0.17 0.00 0.77 0.00 0.00 66.41 65.42 1itf h THR 86 Cb 1.64 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 1itf h THR 86 CO 0.17 0.51 -0.71 -0.33 0.37 0.00 0.00 175.52 175.52 1itf h GLU 87 N 0.80 0.33 -0.36 6.66 5.08 -1.26 -0.39 114.58 125.45 1itf h GLU 87 Ca 0.08 -0.27 -0.15 0.00 -1.00 0.00 0.00 59.36 58.02 1itf h GLU 87 Cb 0.92 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1itf h GLU 87 CO 0.09 0.91 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.56 1itf h LEU 88 N 0.22 0.89 -0.10 1.33 3.38 -1.23 -1.44 115.31 118.36 1itf h LEU 88 Ca -0.03 -0.39 -0.24 0.00 0.09 0.00 0.00 57.88 57.31 1itf h LEU 88 Cb 1.28 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.79 1itf h LEU 88 CO 0.12 1.16 -0.97 0.22 0.09 0.00 0.00 178.44 179.06 1itf h TYR 89 N 0.69 0.85 -0.18 1.13 3.20 -0.84 -0.73 116.97 121.08 1itf h TYR 89 Ca 0.06 -0.45 -0.06 0.00 3.14 0.00 0.00 58.73 61.42 1itf h TYR 89 Cb 0.94 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 1itf h TYR 89 CO 0.05 1.28 -0.11 1.96 -1.64 0.00 0.00 178.16 179.70 1itf h GLN 90 N 0.34 0.40 0.00 1.82 4.20 -1.06 -0.48 115.11 120.32 1itf h GLN 90 Ca -0.10 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.38 1itf h GLN 90 Cb 1.61 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.38 1itf h GLN 90 CO 0.18 0.72 -0.21 1.96 -0.67 0.00 0.00 178.83 180.81 1itf h GLN 91 N 0.08 0.00 -0.11 1.46 4.20 -1.33 -1.62 115.11 117.80 1itf h GLN 91 Ca 0.04 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1itf h GLN 91 Cb 0.61 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1itf h GLN 91 CO 0.03 0.21 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.21 1itf h LEU 92 N 0.00 0.29 -1.32 1.46 3.38 -0.72 0.67 115.31 119.07 1itf h LEU 92 Ca -0.00 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.41 1itf h LEU 92 Cb 0.50 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1itf h LEU 92 CO 0.03 0.73 -0.12 0.78 0.09 0.00 0.00 178.44 179.95 1itf h ASN 93 N -0.14 0.29 0.20 -0.43 4.21 -0.75 -0.31 115.58 118.65 1itf h ASN 93 Ca 0.01 -0.06 -0.22 0.00 1.21 0.00 0.00 56.30 57.24 1itf h ASN 93 Cb 0.66 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1itf h ASN 93 CO 0.03 0.45 -0.89 0.44 -1.29 0.00 0.00 177.43 176.17 1itf h ASP 94 N 0.29 0.64 -0.45 5.81 5.19 -1.23 -0.86 116.42 125.81 1itf h ASP 94 Ca 0.06 -0.48 -0.06 0.00 -0.62 0.00 0.00 57.03 55.94 1itf h ASP 94 Cb 0.39 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1itf h ASP 94 CO 0.02 1.26 0.06 -0.07 -3.12 0.00 0.00 179.24 177.39 1itf h LEU 95 N 0.31 0.73 -0.58 1.55 3.38 -0.33 -2.82 115.31 117.55 1itf h LEU 95 Ca -0.07 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 1itf h LEU 95 Cb 1.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1itf h LEU 95 CO 0.16 0.82 -0.70 1.05 0.09 0.00 0.00 178.44 179.86 1itf h GLU 96 N 0.62 0.07 -0.81 1.13 4.11 -1.09 -3.01 114.58 115.60 1itf h GLU 96 Ca 0.14 -0.06 0.06 0.00 0.07 0.00 0.00 59.36 59.56 1itf h GLU 96 Cb 0.41 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1itf h GLU 96 CO 0.01 0.74 0.50 0.00 0.07 0.00 0.00 179.01 180.33 1itf h ALA 97 N 1.24 1.11 -0.38 1.06 0.00 -0.91 0.37 119.26 121.74 1itf h ALA 97 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1itf h ALA 97 Cb 1.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1itf h ALA 97 CO 0.10 0.24 0.05 0.00 0.00 0.00 0.00 179.25 179.63 1itf h VAL 99 N 0.48 1.22 0.04 0.00 2.07 -1.12 -2.76 116.25 116.17 1itf h VAL 99 Ca 0.11 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1itf h VAL 99 Cb 0.39 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1itf h VAL 99 CO 0.01 0.23 -0.08 0.40 0.02 0.00 0.00 177.57 178.14 1itf h ILE 100 N 1.04 0.80 -2.66 4.57 2.04 -0.12 -3.43 117.51 119.74 1itf h ILE 100 Ca 0.27 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.92 1itf h ILE 100 Cb -0.03 0.80 0.09 0.00 -0.74 0.00 0.00 36.82 36.94 1itf h ILE 100 CO -0.05 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.23 1itf n GLN 101 N -5.20 -1.45 0.13 2.37 1.13 -0.88 -4.89 117.38 108.59 1itf n GLN 101 Ca -0.06 -0.95 0.11 0.00 -1.94 0.00 0.00 57.00 54.15 1itf n GLN 101 Cb 0.13 -0.77 0.50 0.00 0.11 0.00 0.00 30.24 30.21 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 -0.39 -1.07 3.69 1.08 0.00 -1.26 -4.73 105.19 102.51 1itf n GLY 102 Ca 0.08 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.38 1.90 0.00 1.61 1.01 -1.16 -4.84 120.40 115.55 1itf s VAL 103 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1itf s VAL 103 Cb 0.08 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1itf s VAL 103 CO 0.29 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1itf n GLY 104 N -1.45 -0.01 3.39 4.51 0.00 -1.25 -3.92 105.19 106.46 1itf n GLY 104 Ca 0.08 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 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 0.00 -0.02 0.00 1.61 0.11 -1.26 -4.57 120.40 116.27 1itf s VAL 105 Ca 0.00 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 1itf s VAL 105 Cb 0.00 -0.74 0.12 0.00 -1.53 0.00 0.00 36.38 34.24 1itf s VAL 105 CO 0.00 0.03 1.02 0.41 -3.33 0.00 0.00 175.10 173.23 1itf n THR 106 N 4.26 0.00 0.00 5.04 -1.04 -1.26 -4.92 114.28 116.36 1itf n THR 106 Ca -0.22 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 1itf n THR 106 Cb 0.56 0.62 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 1itf n THR 106 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1itf n GLU 107 N 0.14 0.00 0.13 -2.82 -0.58 -1.26 -4.85 120.64 111.41 1itf n GLU 107 Ca -0.16 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1itf n GLU 107 Cb 0.82 -0.49 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 1itf n GLU 107 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1itf n THR 108 N -1.35 0.00 -0.78 2.62 -1.04 -1.26 -5.16 114.28 107.32 1itf n THR 108 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1itf n THR 108 Cb 0.00 0.00 0.23 0.00 -1.82 0.00 0.00 70.33 68.74 1itf n THR 108 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1itf s PRO 109 N -1.95 -0.63 0.00 -2.82 0.04 -1.26 -4.90 135.00 123.48 1itf s PRO 109 Ca 0.00 0.63 0.16 0.00 0.04 0.00 0.00 61.00 61.83 1itf s PRO 109 Cb 0.00 -1.60 0.81 0.00 0.04 0.00 0.00 34.50 33.75 1itf s PRO 109 CO 0.00 -3.48 1.48 1.28 0.04 0.00 0.00 177.00 176.32 1itf n LEU 110 N -4.71 0.00 -0.39 -3.56 4.77 -1.26 -3.69 117.00 108.16 1itf n LEU 110 Ca 0.04 0.30 0.31 0.00 -0.03 0.00 0.00 56.01 56.63 1itf n LEU 110 Cb 0.56 -0.30 0.59 0.00 -2.33 0.00 0.00 43.42 41.94 1itf n LEU 110 CO 0.57 -0.14 1.21 -0.03 -1.33 0.00 0.00 177.39 177.67 1itf h MET 111 N 0.00 0.18 -0.66 3.23 4.05 -1.97 1.11 114.93 120.87 1itf h MET 111 Ca 0.00 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1itf h MET 111 Cb 0.16 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 1itf h MET 111 CO 0.00 0.12 0.38 1.57 0.23 0.00 0.00 176.91 179.21 1itf h LYS 112 N 0.19 0.90 0.00 0.39 2.10 -1.93 -2.48 116.57 115.74 1itf h LYS 112 Ca 0.76 -0.08 -0.24 0.00 -2.00 0.00 0.00 60.65 59.08 1itf h LYS 112 Cb 2.18 -0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 33.28 1itf h LYS 112 CO -0.43 0.65 -1.74 -1.91 -2.00 0.00 0.00 179.45 174.01 1itf n GLU 113 N -4.39 0.64 -0.15 0.07 4.07 0.32 -4.08 120.64 117.12 1itf n GLU 113 Ca 0.07 0.19 0.05 0.00 -0.06 0.00 0.00 57.16 57.40 1itf n GLU 113 Cb 0.08 -1.73 0.34 0.00 -0.06 0.00 0.00 31.44 30.08 1itf n GLU 113 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1itf h ASP 114 N 0.00 0.67 -0.47 4.31 3.32 0.73 0.71 116.42 125.69 1itf h ASP 114 Ca -0.27 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 1itf h ASP 114 Cb 1.84 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 41.22 1itf h ASP 114 CO 0.05 0.45 0.14 0.77 -1.72 0.00 0.00 179.24 178.94 1itf h SER 115 N 0.77 0.69 0.02 6.45 4.64 -1.60 0.11 113.55 124.63 1itf h SER 115 Ca 0.27 -0.21 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 1itf h SER 115 Cb 0.11 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1itf h SER 115 CO -0.08 0.72 -0.21 0.40 -0.87 0.00 0.00 176.83 176.78 1itf h ILE 116 N 0.62 1.24 -0.28 0.95 2.04 -1.28 -2.10 117.51 118.71 1itf h ILE 116 Ca 0.15 -1.09 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 1itf h ILE 116 Cb 0.28 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1itf h ILE 116 CO -0.00 0.34 -0.18 -0.07 0.00 0.00 0.00 178.15 178.24 1itf h LEU 117 N 0.31 0.48 -0.09 1.44 3.38 0.13 0.30 115.31 121.26 1itf h LEU 117 Ca 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1itf h LEU 117 Cb 0.55 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1itf h LEU 117 CO 0.04 0.68 0.02 0.00 0.09 0.00 0.00 178.44 179.26 1itf h ALA 118 N 1.37 0.12 0.00 1.53 0.00 -0.17 -1.62 119.26 120.49 1itf h ALA 118 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1itf h ALA 118 Cb 0.57 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1itf h ALA 118 CO 0.04 -0.23 -0.12 0.28 0.00 0.00 0.00 179.25 179.21 1itf h VAL 119 N -0.07 0.81 -0.51 0.00 2.07 -1.07 -2.02 116.25 115.45 1itf h VAL 119 Ca 0.03 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1itf h VAL 119 Cb 0.27 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1itf h VAL 119 CO 0.00 0.12 0.14 -0.09 0.02 0.00 0.00 177.57 177.75 1itf h ARG 120 N 0.00 0.81 -0.18 1.57 9.65 0.52 -0.44 114.38 126.31 1itf h ARG 120 Ca -0.00 -0.19 -0.12 0.00 -1.10 0.00 0.00 59.98 58.57 1itf h ARG 120 Cb 0.25 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 1itf h ARG 120 CO 0.02 0.77 -0.41 0.87 2.80 0.00 0.00 179.97 184.02 1itf h LYS 121 N 0.70 0.40 0.07 0.20 1.57 -0.70 0.27 116.57 119.09 1itf h LYS 121 Ca 0.16 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1itf h LYS 121 Cb 0.31 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1itf h LYS 121 CO -0.00 0.74 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.67 1itf h TYR 122 N 0.33 -0.09 0.00 -1.35 3.20 -0.95 -2.10 116.97 116.01 1itf h TYR 122 Ca 0.03 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1itf h TYR 122 Cb 0.86 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 1itf h TYR 122 CO 0.02 0.10 -0.05 0.74 -1.64 0.00 0.00 178.16 177.34 1itf h PHE 123 N -0.28 0.00 -0.47 -3.82 -1.00 -1.03 -2.33 116.94 108.02 1itf h PHE 123 Ca -0.01 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.64 1itf h PHE 123 Cb 0.24 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1itf h PHE 123 CO -0.01 0.05 -0.21 0.37 -1.61 0.00 0.00 178.31 176.89 1itf h GLN 124 N 0.00 0.97 -0.42 1.51 -0.00 -0.59 -0.06 115.11 116.52 1itf h GLN 124 Ca -0.00 -0.42 -0.14 0.00 -0.00 0.00 0.00 58.65 58.10 1itf h GLN 124 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.10 1itf h GLN 124 CO 0.01 1.09 -0.28 -0.09 0.00 0.00 0.00 178.83 179.55 1itf h ARG 125 N 0.81 0.90 -0.86 1.69 9.65 -1.10 -1.92 114.38 123.56 1itf h ARG 125 Ca 0.11 -0.41 -0.02 0.00 -1.10 0.00 0.00 59.98 58.55 1itf h ARG 125 Cb 0.79 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.31 1itf h ARG 125 CO 0.07 1.06 0.45 0.82 2.80 0.00 0.00 179.97 185.17 1itf h ILE 126 N 0.76 1.25 -0.36 1.20 2.04 -1.16 -0.27 117.51 120.97 1itf h ILE 126 Ca 0.09 -0.65 -0.10 0.00 1.00 0.00 0.00 64.86 65.20 1itf h ILE 126 Cb 0.85 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1itf h ILE 126 CO 0.07 0.29 -0.18 0.74 0.00 0.00 0.00 178.15 179.07 1itf h THR 127 N 1.20 1.26 -0.39 -0.27 2.02 -0.73 -1.99 112.91 114.01 1itf h THR 127 Ca 0.30 -1.23 -0.14 0.00 0.77 0.00 0.00 66.41 66.12 1itf h THR 127 Cb 0.05 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1itf h THR 127 CO -0.05 0.41 -0.30 0.25 0.37 0.00 0.00 175.52 176.20 1itf h LEU 128 N 0.59 0.88 -1.23 2.58 6.46 -0.70 -1.64 115.31 122.25 1itf h LEU 128 Ca 0.09 -0.36 -0.04 0.00 -0.12 0.00 0.00 57.88 57.46 1itf h LEU 128 Cb 0.64 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1itf h LEU 128 CO 0.05 1.11 0.11 1.88 -0.62 0.00 0.00 178.44 180.97 1itf h TYR 129 N 0.72 0.66 -0.19 1.25 -1.99 -0.76 0.30 116.97 116.94 1itf h TYR 129 Ca 0.08 -0.05 -0.20 0.00 2.00 0.00 0.00 58.73 60.57 1itf h TYR 129 Cb 0.85 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.38 1itf h TYR 129 CO 0.05 0.56 -0.66 -0.07 -0.00 0.00 0.00 178.16 178.03 1itf h LEU 130 N 0.63 0.85 -0.46 3.88 3.38 -1.07 -0.98 115.31 121.55 1itf h LEU 130 Ca 0.15 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1itf h LEU 130 Cb 0.23 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1itf h LEU 130 CO -0.00 1.29 -0.09 0.11 0.09 0.00 0.00 178.44 179.84 1itf h LYS 131 N 0.54 0.00 0.01 1.13 1.57 -0.86 0.71 116.57 119.67 1itf h LYS 131 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1itf h LYS 131 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1itf h LYS 131 CO 0.14 0.09 -0.11 1.49 -0.57 0.00 0.00 179.45 180.48 1itf h GLU 132 N 0.00 0.06 -0.06 3.15 4.81 -0.25 -3.18 114.58 119.11 1itf h GLU 132 Ca -0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1itf h GLU 132 Cb 0.91 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1itf h GLU 132 CO 0.01 0.93 0.00 1.63 -0.73 0.00 0.00 179.01 180.85 1itf n LYS 133 N -4.59 1.24 -3.64 1.92 4.01 -0.39 -4.89 118.16 111.83 1itf n LYS 133 Ca -0.10 -0.37 -0.24 0.00 -0.51 0.00 0.00 58.31 57.09 1itf n LYS 133 Cb 0.48 -1.31 0.07 0.00 -0.51 0.00 0.00 35.03 33.75 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 -0.41 -7.45 -3.45 1.97 5.02 -0.26 -2.46 118.16 111.12 1itf n LYS 134 Ca 0.14 0.79 -0.17 0.00 -2.02 0.00 0.00 58.31 57.05 1itf n LYS 134 Cb 0.15 -5.81 0.09 0.00 -0.02 0.00 0.00 35.03 29.43 1itf n LYS 134 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1itf n TYR 135 N -4.88 -2.21 -2.03 2.13 4.01 0.23 -4.99 117.16 109.43 1itf n TYR 135 Ca -0.01 0.94 -0.30 0.00 -0.16 0.00 0.00 57.90 58.36 1itf n TYR 135 Cb 0.57 -5.06 0.02 0.00 -0.31 0.00 0.00 39.34 34.55 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 -4.32 6.08 0.29 7.72 0.01 -1.03 -4.92 113.70 117.53 1itf s SER 136 Ca 0.02 1.26 0.06 0.00 1.31 0.00 0.00 55.95 58.60 1itf s SER 136 Cb -0.01 -2.31 0.43 0.00 0.21 0.00 0.00 66.02 64.34 1itf s SER 136 CO 0.73 -0.91 1.69 1.55 0.41 0.00 0.00 173.24 176.72 1itf h PRO 137 N -0.27 0.25 -0.12 12.44 0.13 -1.94 -0.82 132.00 141.67 1itf h PRO 137 Ca -0.45 -0.12 -0.08 0.00 -0.87 0.00 0.00 66.00 64.48 1itf h PRO 137 Cb 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1itf h PRO 137 CO 0.62 0.64 -0.22 0.00 -0.23 0.00 0.00 178.00 178.81 1itf h ALA 139 N 0.54 1.38 -0.25 0.00 0.00 -1.87 -1.63 119.26 117.44 1itf h ALA 139 Ca 0.01 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1itf h ALA 139 Cb 0.80 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1itf h ALA 139 CO 0.05 0.47 -0.45 -1.49 0.00 0.00 0.00 179.25 177.83 1itf h TRP 140 N 0.74 0.76 -0.72 0.00 4.06 -1.01 -1.72 115.95 118.05 1itf h TRP 140 Ca 0.18 -0.24 -0.06 0.00 2.06 0.00 0.00 58.89 60.83 1itf h TRP 140 Cb 0.16 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 1itf h TRP 140 CO 0.01 0.96 0.21 1.49 -3.56 0.00 0.00 178.44 177.56 1itf h GLU 141 N 0.51 1.14 -0.53 0.49 4.57 -0.19 0.53 114.58 121.10 1itf h GLU 141 Ca 0.03 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 57.89 1itf h GLU 141 Cb 0.98 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 1itf h GLU 141 CO 0.09 0.98 0.06 0.28 -1.18 0.00 0.00 179.01 179.24 1itf h VAL 142 N 1.08 1.26 0.00 0.32 2.07 -1.19 -1.62 116.25 118.16 1itf h VAL 142 Ca 0.23 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1itf h VAL 142 Cb 0.33 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1itf h VAL 142 CO -0.00 0.35 -0.11 0.58 0.02 0.00 0.00 177.57 178.41 1itf h VAL 143 N 0.77 0.29 -0.04 2.57 2.07 -0.87 -0.67 116.25 120.37 1itf h VAL 143 Ca 0.16 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1itf h VAL 143 Cb 0.44 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1itf h VAL 143 CO 0.01 0.11 -0.02 -0.09 0.02 0.00 0.00 177.57 177.60 1itf h ARG 144 N 0.00 0.08 -0.19 1.57 2.43 0.97 0.15 114.38 119.39 1itf h ARG 144 Ca -0.00 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 1itf h ARG 144 Cb 0.64 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1itf h ARG 144 CO 0.01 0.50 -0.47 0.00 -1.51 0.00 0.00 179.97 178.51 1itf h ALA 145 N 0.58 0.83 -0.22 2.80 0.00 -1.24 -1.82 119.26 120.19 1itf h ALA 145 Ca 0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1itf h ALA 145 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1itf h ALA 145 CO 0.01 0.66 -0.40 0.93 0.00 0.00 0.00 179.25 180.45 1itf h GLU 146 N 0.40 0.51 -0.03 0.00 4.39 -1.07 -1.19 114.58 117.58 1itf h GLU 146 Ca 0.02 -0.26 -0.18 0.00 0.34 0.00 0.00 59.36 59.29 1itf h GLU 146 Cb 0.98 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1itf h GLU 146 CO 0.09 0.83 -0.76 0.82 -1.16 0.00 0.00 179.01 178.83 1itf h ILE 147 N 0.42 1.44 -0.25 3.13 1.08 -0.57 -0.74 117.51 122.02 1itf h ILE 147 Ca 0.04 -2.32 -0.16 0.00 -0.39 0.00 0.00 64.86 62.03 1itf h ILE 147 Cb 0.89 2.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.88 1itf h ILE 147 CO 0.08 0.68 -0.49 -0.03 -0.69 0.00 0.00 178.15 177.70 1itf h MET 148 N 0.15 0.69 -0.05 2.37 1.85 -1.15 -0.74 114.93 118.05 1itf h MET 148 Ca -0.03 -0.41 -0.04 0.00 -0.61 0.00 0.00 59.70 58.61 1itf h MET 148 Cb 1.33 0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.40 1itf h MET 148 CO 0.12 1.03 -0.14 -0.09 -0.40 0.00 0.00 176.91 177.42 1itf h ARG 149 N 0.55 0.19 -0.71 0.39 2.43 -1.15 -1.79 114.38 114.29 1itf h ARG 149 Ca 0.03 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1itf h ARG 149 Cb 1.05 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 1itf h ARG 149 CO 0.10 0.75 0.41 0.66 -1.51 0.00 0.00 179.97 180.37 1itf h SER 150 N -0.34 0.86 -0.57 -3.80 4.64 -1.14 0.12 113.55 113.32 1itf h SER 150 Ca -0.00 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.16 1itf h SER 150 Cb 0.75 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1itf h SER 150 CO 0.03 0.69 0.04 0.15 -0.87 0.00 0.00 176.83 176.87 1itf h PHE 151 N 0.97 1.08 -0.31 4.77 3.04 -1.16 -1.18 116.94 124.14 1itf h PHE 151 Ca 0.25 -0.16 -0.11 0.00 3.98 0.00 0.00 57.97 61.93 1itf h PHE 151 Cb 0.00 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.21 1itf h PHE 151 CO -0.01 0.94 -0.25 1.03 -2.02 0.00 0.00 178.31 178.00 1itf h SER 152 N 0.93 0.63 -0.63 0.41 0.87 -0.81 -1.52 113.55 113.42 1itf h SER 152 Ca 0.18 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 1itf h SER 152 Cb 0.48 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1itf h SER 152 CO 0.02 0.86 0.07 -0.07 -0.53 0.00 0.00 176.83 177.18 1itf h LEU 153 N 0.54 1.04 -0.66 2.23 3.38 -0.31 0.20 115.31 121.73 1itf h LEU 153 Ca 0.07 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 1itf h LEU 153 Cb 0.72 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1itf h LEU 153 CO 0.06 1.05 -0.66 0.28 0.09 0.00 0.00 178.44 179.26 1itf h SER 154 N 1.00 0.07 0.20 -0.43 0.02 -0.99 -3.16 113.55 110.26 1itf h SER 154 Ca 0.19 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1itf h SER 154 Cb 0.48 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1itf h SER 154 CO 0.02 0.71 -0.52 0.35 -1.14 0.00 0.00 176.83 176.24 1itf n THR 155 N -3.78 0.00 1.99 -2.27 -2.24 -0.59 -3.92 114.28 103.47 1itf n THR 155 Ca -0.01 -0.10 0.14 0.00 -2.27 0.00 0.00 64.05 61.81 1itf n THR 155 Cb 0.65 0.68 0.86 0.00 -2.10 0.00 0.00 70.33 70.42 1itf n THR 155 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1itf n ASN 156 N -0.90 0.00 -0.14 3.42 5.03 0.69 -3.64 115.26 119.73 1itf n ASN 156 Ca 0.08 -1.09 -0.09 0.00 0.87 0.00 0.00 54.58 54.36 1itf n ASN 156 Cb 0.37 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.13 1itf n ASN 156 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1itf h LEU 157 N 0.00 0.52 -0.10 3.41 -0.00 -1.72 -2.06 115.31 115.36 1itf h LEU 157 Ca 0.00 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.88 57.71 1itf h LEU 157 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 1itf h LEU 157 CO 0.00 0.48 -0.30 0.06 -0.00 0.00 0.00 178.44 178.68 1itf h GLN 158 N 0.52 0.00 0.00 1.13 3.07 -1.85 -3.09 115.11 114.89 1itf h GLN 158 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.88 1itf h GLN 158 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1itf h GLN 158 CO -0.02 0.30 0.00 1.49 0.09 0.00 0.00 178.83 180.69 1itf h GLU 159 N 0.00 0.00 -2.02 0.06 4.57 -1.53 -3.01 114.58 112.64 1itf h GLU 159 Ca -0.00 0.00 -0.77 0.00 -1.18 0.00 0.00 59.36 57.41 1itf h GLU 159 Cb 1.20 0.00 -0.27 0.00 -0.16 0.00 0.00 28.75 29.51 1itf h GLU 159 CO 0.04 0.00 1.02 0.45 -1.18 0.00 0.00 179.01 179.34 1itf n SER 160 N -2.91 7.44 -4.52 1.04 2.88 -0.83 -4.95 113.62 111.78 1itf n SER 160 Ca 0.00 -3.82 -0.43 0.00 -1.33 0.00 0.00 58.87 53.30 1itf n SER 160 Cb 0.25 -1.07 -0.06 0.00 -0.75 0.00 0.00 64.21 62.58 1itf n SER 160 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1itf s LEU 161 N -4.10 4.43 -0.02 2.46 0.20 -1.14 -4.86 118.68 115.64 1itf s LEU 161 Ca 0.50 -0.28 0.12 0.00 0.69 0.00 0.00 54.13 55.16 1itf s LEU 161 Cb 0.40 -2.80 -0.18 0.00 -0.43 0.00 0.00 46.19 43.18 1itf s LEU 161 CO -0.37 -0.84 0.25 -1.14 -0.29 0.00 0.00 176.35 173.96 1itf n ARG 162 N 6.43 0.51 -1.68 1.98 0.63 -1.26 -4.98 116.66 118.29 1itf n ARG 162 Ca -0.00 -0.10 -0.45 0.00 -0.92 0.00 0.00 57.85 56.38 1itf n ARG 162 Cb 0.48 -1.29 -0.04 0.00 0.45 0.00 0.00 32.46 32.07 1itf n ARG 162 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1itf n SER 163 N -1.96 3.72 -1.16 6.15 2.88 -1.26 -4.86 113.62 117.13 1itf n SER 163 Ca -0.03 0.99 -0.03 0.00 -1.33 0.00 0.00 58.87 58.46 1itf n SER 163 Cb 0.36 -1.47 0.21 0.00 -0.75 0.00 0.00 64.21 62.56 1itf n SER 163 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1itf n LYS 164 N 5.83 2.08 0.00 -1.46 3.00 -1.26 -5.27 118.16 121.07 1itf n LYS 164 Ca 0.19 -3.10 0.00 0.00 -0.00 0.00 0.00 58.31 55.40 1itf n LYS 164 Cb 0.34 -1.84 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1itf n LYS 164 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79