#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 3.68 0.15 0.00 5.68 -1.26 -4.68 116.55 120.11 1itf n ASP 2 Ca 0.00 -2.80 -0.11 0.00 -0.50 0.00 0.00 54.79 51.38 1itf n ASP 2 Cb 0.00 -1.55 -0.06 0.00 -1.14 0.00 0.00 41.12 38.37 1itf n ASP 2 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1itf h LEU 3 N 12.04 -0.37-10.31 -2.12 3.38 -2.04 -3.45 115.31 112.44 1itf h LEU 3 Ca 0.48 -0.15 -0.51 0.00 0.09 0.00 0.00 57.88 57.80 1itf h LEU 3 Cb 0.71 0.10 0.09 0.00 0.09 0.00 0.00 40.66 41.65 1itf h LEU 3 CO 1.77 0.08 0.37 -2.16 0.09 0.00 0.00 178.44 178.59 1itf s PRO 4 N -3.71 2.96 -0.40 1.13 0.04 -1.26 -5.03 135.00 128.73 1itf s PRO 4 Ca -0.11 1.01 0.09 0.00 0.04 0.00 0.00 61.00 62.03 1itf s PRO 4 Cb 0.01 -1.99 0.28 0.00 0.04 0.00 0.00 34.50 32.84 1itf s PRO 4 CO 0.39 -1.08 0.66 0.00 0.04 0.00 0.00 177.00 177.01 1itf n GLN 5 N -2.96 0.82 0.06 4.56 10.64 -1.26 -4.94 117.38 124.30 1itf n GLN 5 Ca 0.08 -3.04 0.00 0.00 -1.83 0.00 0.00 57.00 52.21 1itf n GLN 5 Cb 0.53 -1.38 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 1itf n GLN 5 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1itf n THR 6 N 1.02 0.99 -2.68 -0.39 -2.24 -1.26 -5.06 114.28 104.66 1itf n THR 6 Ca 0.20 0.33 -0.21 0.00 -2.27 0.00 0.00 64.05 62.10 1itf n THR 6 Cb 0.59 -1.42 0.04 0.00 -2.10 0.00 0.00 70.33 67.44 1itf n THR 6 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1itf s HIS 7 N -2.00 2.79 -0.17 4.78 3.76 -1.26 -5.12 115.29 118.07 1itf s HIS 7 Ca 0.00 -0.07 -0.11 0.00 -0.15 0.00 0.00 55.06 54.73 1itf s HIS 7 Cb 0.00 -2.72 0.06 0.00 1.11 0.00 0.00 32.58 31.03 1itf s HIS 7 CO 0.00 -0.86 0.43 0.45 -0.85 0.00 0.00 174.74 173.91 1itf s SER 8 N -4.43 -0.52 0.00 1.40 0.15 -1.26 -5.03 113.70 104.00 1itf s SER 8 Ca 0.57 0.92 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1itf s SER 8 Cb -0.10 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 1itf s SER 8 CO 0.38 -0.18 0.75 0.00 1.20 0.00 0.00 173.24 175.39 1itf n LEU 9 N 3.86 0.00 0.00 3.45 -0.00 -1.26 -4.84 117.00 118.22 1itf n LEU 9 Ca -0.20 -0.89 0.00 0.00 -0.00 0.00 0.00 56.01 54.92 1itf n LEU 9 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1itf n LEU 9 CO 0.09 0.47 0.00 0.61 -0.00 0.00 0.00 177.39 178.56 1itf n GLY 10 N 0.00 -0.13 0.25 1.47 0.00 -1.26 -4.32 105.19 101.20 1itf n GLY 10 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.80 -0.83 1.61 0.02 -1.97 -1.25 113.55 111.93 1itf h SER 11 Ca 0.00 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1itf h SER 11 Cb 0.00 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 1itf h SER 11 CO 0.00 0.83 0.39 0.03 -1.14 0.00 0.00 176.83 176.94 1itf h ARG 12 N 0.74 1.20 -0.15 3.45 2.47 -1.88 -1.72 114.38 118.49 1itf h ARG 12 Ca 0.16 -0.18 -0.12 0.00 -1.26 0.00 0.00 59.98 58.58 1itf h ARG 12 Cb 0.35 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1itf h ARG 12 CO 0.00 0.93 -0.43 0.00 0.56 0.00 0.00 179.97 181.04 1itf h ARG 13 N 1.19 0.35 -0.54 0.04 2.47 -1.70 -1.39 114.38 114.81 1itf h ARG 13 Ca 0.28 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.79 1itf h ARG 13 Cb 0.13 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1itf h ARG 13 CO -0.03 0.72 0.21 1.15 0.56 0.00 0.00 179.97 182.58 1itf h THR 14 N 0.29 1.22 -0.04 2.04 2.02 -0.64 -1.01 112.91 116.79 1itf h THR 14 Ca 0.02 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 1itf h THR 14 Cb 0.88 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1itf h THR 14 CO 0.07 0.26 -0.40 -0.07 0.37 0.00 0.00 175.52 175.75 1itf h LEU 15 N 0.73 0.10 -0.91 2.58 3.38 -1.13 -2.15 115.31 117.90 1itf h LEU 15 Ca 0.18 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1itf h LEU 15 Cb 0.20 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1itf h LEU 15 CO -0.01 0.49 -0.03 -0.03 0.09 0.00 0.00 178.44 178.95 1itf h MET 16 N 0.08 0.77 -0.46 1.13 4.05 -0.53 -1.14 114.93 118.82 1itf h MET 16 Ca 0.01 -0.22 -0.02 0.00 -0.28 0.00 0.00 59.70 59.19 1itf h MET 16 Cb 0.75 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 1itf h MET 16 CO 0.06 0.80 0.20 -0.07 0.23 0.00 0.00 176.91 178.13 1itf h LEU 17 N 0.71 0.63 -0.93 3.39 3.38 -0.60 -1.92 115.31 119.96 1itf h LEU 17 Ca 0.13 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1itf h LEU 17 Cb 0.48 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1itf h LEU 17 CO 0.02 0.60 0.61 -0.07 0.09 0.00 0.00 178.44 179.70 1itf h LEU 18 N 0.61 1.04 -0.74 1.67 3.38 -0.86 0.04 115.31 120.44 1itf h LEU 18 Ca 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1itf h LEU 18 Cb 0.16 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1itf h LEU 18 CO -0.02 0.73 0.45 0.00 0.09 0.00 0.00 178.44 179.70 1itf h ALA 19 N 1.36 0.95 -0.14 1.53 0.00 -0.74 -2.04 119.26 120.19 1itf h ALA 19 Ca 0.36 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1itf h ALA 19 Cb -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1itf h ALA 19 CO -0.10 0.42 -0.39 1.96 0.00 0.00 0.00 179.25 181.13 1itf h GLN 20 N 1.02 0.30 0.00 0.00 4.20 -0.58 -2.77 115.11 117.28 1itf h GLN 20 Ca 0.27 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1itf h GLN 20 Cb -0.04 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1itf h GLN 20 CO -0.05 0.65 -0.11 0.52 -0.67 0.00 0.00 178.83 179.18 1itf h MET 21 N 0.26 0.00 -6.29 1.46 2.86 -0.30 -3.44 114.93 109.48 1itf h MET 21 Ca 0.03 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 57.00 1itf h MET 21 Cb 0.81 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.52 1itf h MET 21 CO 0.06 0.11 0.61 -2.13 1.06 0.00 0.00 176.91 176.62 1itf n ARG 22 N -3.46 1.36 -0.05 1.72 0.63 -1.01 -4.79 116.66 111.07 1itf n ARG 22 Ca -0.01 0.49 -0.04 0.00 -0.92 0.00 0.00 57.85 57.38 1itf n ARG 22 Cb 0.26 -2.17 -0.09 0.00 0.45 0.00 0.00 32.46 30.91 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 3.31 1.94 -4.44 -0.14 5.02 -1.26 -5.05 118.16 117.54 1itf n LYS 23 Ca 0.20 -0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 1itf n LYS 23 Cb 0.20 -1.28 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.35 0.97 0.08 -0.18 -4.36 -1.26 -5.13 121.20 108.97 1itf s ILE 24 Ca -0.05 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.11 1itf s ILE 24 Cb 0.04 -2.67 -0.07 0.00 1.25 0.00 0.00 42.46 41.01 1itf s ILE 24 CO 0.45 0.00 0.70 -0.44 0.24 0.00 0.00 174.94 175.89 1itf s SER 25 N -3.49 7.20 0.36 4.36 0.01 -1.26 -4.95 113.70 115.93 1itf s SER 25 Ca 0.34 1.43 0.07 0.00 1.31 0.00 0.00 55.95 59.10 1itf s SER 25 Cb 0.07 -2.44 0.68 0.00 0.21 0.00 0.00 66.02 64.54 1itf s SER 25 CO 0.15 0.15 1.87 0.25 0.41 0.00 0.00 173.24 176.07 1itf h LEU 26 N 4.96 0.32 -1.00 2.44 5.85 -1.96 -1.43 115.31 124.49 1itf h LEU 26 Ca -0.46 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.14 1itf h LEU 26 Cb 1.21 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1itf h LEU 26 CO 0.67 0.48 0.21 -0.26 -0.34 0.00 0.00 178.44 179.20 1itf h PHE 27 N 0.31 0.95 0.00 1.25 0.04 -2.01 -0.13 116.94 117.36 1itf h PHE 27 Ca 0.06 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 1itf h PHE 27 Cb 0.42 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1itf h PHE 27 CO 0.01 0.75 -0.28 0.77 -0.60 0.00 0.00 178.31 178.97 1itf h SER 28 N 0.90 0.00 -1.63 2.17 0.02 -1.69 -2.92 113.55 110.41 1itf h SER 28 Ca 0.21 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.45 1itf h SER 28 Cb 0.24 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 62.47 1itf h SER 28 CO -0.01 0.28 0.56 0.00 -1.14 0.00 0.00 176.83 176.52 1itf n LEU 30 N -0.61 0.65 0.05 0.00 4.77 -0.99 -3.35 117.00 117.51 1itf n LEU 30 Ca 0.52 -0.14 -0.08 0.00 -0.03 0.00 0.00 56.01 56.28 1itf n LEU 30 Cb 0.45 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.32 1itf n LEU 30 CO 0.52 0.11 -0.00 0.50 -1.33 0.00 0.00 177.39 177.19 1itf h LYS 31 N 0.92 0.03 -0.42 3.23 1.63 -1.87 -3.27 116.57 116.82 1itf h LYS 31 Ca 0.00 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.65 1itf h LYS 31 Cb 0.32 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.91 1itf h LYS 31 CO 0.00 0.94 0.06 -0.25 -3.45 0.00 0.00 179.45 176.75 1itf n ASP 32 N -3.32 3.94 -4.61 4.20 9.92 -1.22 -4.95 116.55 120.50 1itf n ASP 32 Ca -0.04 -3.23 -0.43 0.00 -0.53 0.00 0.00 54.79 50.57 1itf n ASP 32 Cb 0.97 -0.62 -0.03 0.00 -0.64 0.00 0.00 41.12 40.79 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 -2.96 3.89 -0.09 -1.24 3.52 -1.21 -4.78 118.95 116.08 1itf s ARG 33 Ca 0.47 0.70 -0.04 0.00 -0.13 0.00 0.00 55.73 56.73 1itf s ARG 33 Cb 0.39 -3.79 0.05 0.00 -1.56 0.00 0.00 34.95 30.03 1itf s ARG 33 CO 0.09 -0.96 0.20 -1.01 -0.81 0.00 0.00 175.30 172.81 1itf s HIS 34 N 3.58 -0.26 0.20 5.12 3.76 -1.26 -5.06 115.29 121.35 1itf s HIS 34 Ca 0.40 0.68 -0.30 0.00 -0.15 0.00 0.00 55.06 55.70 1itf s HIS 34 Cb -0.12 -0.05 -0.08 0.00 1.11 0.00 0.00 32.58 33.44 1itf s HIS 34 CO 0.19 -0.23 1.14 0.34 -0.85 0.00 0.00 174.74 175.33 1itf s ASP 35 N 1.51 7.19 -0.09 1.40 2.15 -1.26 -4.95 116.67 122.61 1itf s ASP 35 Ca -0.06 2.18 -0.12 0.00 0.43 0.00 0.00 52.55 54.98 1itf s ASP 35 Cb -0.11 -2.61 -0.28 0.00 -0.30 0.00 0.00 42.92 39.62 1itf s ASP 35 CO -0.07 -0.27 0.53 -0.26 -0.17 0.00 0.00 175.17 174.92 1itf h PHE 36 N 4.95 0.54 0.00 -5.34 0.04 -1.98 -3.50 116.94 111.65 1itf h PHE 36 Ca -0.45 -0.39 0.00 0.00 2.80 0.00 0.00 57.97 59.93 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 0.62 1.66 0.00 0.41 -0.60 0.00 0.00 178.31 180.40 1itf n GLY 37 N 1.84 0.72 3.73 -1.45 0.00 -1.26 -5.04 105.19 103.73 1itf n GLY 37 Ca -0.27 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.78 3.15 -1.45 1.61 5.36 -1.26 -4.80 117.98 119.81 1itf s PHE 38 Ca 0.00 0.99 -0.12 0.00 -0.96 0.00 0.00 56.93 56.84 1itf s PHE 38 Cb 0.00 -3.75 0.05 0.00 -0.34 0.00 0.00 43.02 38.98 1itf s PHE 38 CO 0.00 -2.52 2.28 -0.35 -1.46 0.00 0.00 175.22 173.17 1itf n PRO 39 N 3.09 3.15 0.26 10.12 -0.04 -1.26 -4.62 135.00 145.71 1itf n PRO 39 Ca 0.09 -2.72 0.16 0.00 -0.04 0.00 0.00 63.50 60.98 1itf n PRO 39 Cb 0.41 -3.14 0.53 0.00 -0.04 0.00 0.00 33.50 31.27 1itf n PRO 39 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1itf h GLN 40 N 5.77 0.00 -0.00 0.54 5.75 -1.97 -2.42 115.11 122.78 1itf h GLN 40 Ca 0.59 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 59.08 1itf h GLN 40 Cb 0.58 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 1itf h GLN 40 CO 1.82 0.00 -0.02 1.05 -2.65 0.00 0.00 178.83 179.03 1itf h GLU 41 N 0.00 0.00 -0.39 1.69 4.11 -2.01 0.45 114.58 118.43 1itf h GLU 41 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1itf h GLU 41 Cb 0.66 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1itf h GLU 41 CO 0.00 0.03 0.00 0.39 0.07 0.00 0.00 179.01 179.50 1itf n GLU 42 N -4.51 1.89 -0.09 1.06 -0.58 -0.91 -3.47 120.64 114.04 1itf n GLU 42 Ca -0.03 -1.22 0.04 0.00 -0.42 0.00 0.00 57.16 55.53 1itf n GLU 42 Cb 0.11 -1.33 0.06 0.00 -0.57 0.00 0.00 31.44 29.71 1itf n GLU 42 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1itf n PHE 43 N 0.45 0.00 0.00 -0.32 3.01 0.15 -4.82 117.46 115.93 1itf n PHE 43 Ca 0.11 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.97 1itf n PHE 43 Cb 0.33 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 1itf n PHE 43 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1itf n GLY 44 N -0.79 0.34 3.94 1.37 0.00 -1.06 -4.81 105.19 104.19 1itf n GLY 44 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1itf n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itf s ASN 45 N -1.00 5.64 -0.64 1.61 2.20 -1.26 -4.00 114.94 117.49 1itf s ASN 45 Ca 0.00 0.48 0.00 0.00 -0.94 0.00 0.00 52.86 52.40 1itf s ASN 45 Cb 0.00 -1.56 0.00 0.00 -2.00 0.00 0.00 41.25 37.69 1itf s ASN 45 CO 0.00 -0.94 0.00 1.67 -2.94 0.00 0.00 177.10 174.89 1itf n GLN 46 N -2.37 -1.10 -2.74 3.55 7.27 -1.26 -4.81 117.38 115.92 1itf n GLN 46 Ca 0.04 0.61 -0.04 0.00 0.07 0.00 0.00 57.00 57.68 1itf n GLN 46 Cb 0.58 -4.61 0.07 0.00 2.41 0.00 0.00 30.24 28.69 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 -2.48 -0.03 -4.42 3.69 3.72 -1.26 -4.95 117.46 111.73 1itf n PHE 47 Ca -0.06 -2.17 -0.29 0.00 -0.05 0.00 0.00 57.45 54.87 1itf n PHE 47 Cb 0.37 0.39 -0.13 0.00 -0.94 0.00 0.00 39.48 39.17 1itf n PHE 47 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1itf s GLN 48 N -2.21 1.52 -0.12 -1.08 2.00 -1.26 -3.99 119.66 114.52 1itf s GLN 48 Ca 0.22 -1.29 -0.00 0.00 -2.00 0.00 0.00 55.36 52.29 1itf s GLN 48 Cb 0.39 -1.95 -0.00 0.00 0.80 0.00 0.00 33.01 32.25 1itf s GLN 48 CO -0.05 0.46 0.11 1.63 -0.50 0.00 0.00 175.29 176.94 1itf n LYS 49 N 0.97 -0.23 -3.29 1.67 5.02 -1.26 -4.07 118.16 116.97 1itf n LYS 49 Ca -0.17 0.40 -0.24 0.00 -2.02 0.00 0.00 58.31 56.28 1itf n LYS 49 Cb 0.53 -2.07 0.03 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.39 -1.08 -0.04 7.82 0.00 -1.26 -4.78 120.51 119.78 1itf n ALA 50 Ca -0.00 0.25 0.03 0.00 0.00 0.00 0.00 53.44 53.71 1itf n ALA 50 Cb 0.51 -3.96 -0.14 0.00 0.00 0.00 0.00 19.45 15.86 1itf n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1itf n GLU 51 N -4.19 0.79 0.09 0.00 1.02 -1.26 -3.24 120.64 113.85 1itf n GLU 51 Ca -0.05 -0.11 0.12 0.00 -0.02 0.00 0.00 57.16 57.10 1itf n GLU 51 Cb 0.58 -1.45 0.29 0.00 -0.02 0.00 0.00 31.44 30.84 1itf n GLU 51 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1itf h THR 52 N 0.00 0.00 -0.83 2.62 1.35 -1.90 -3.37 112.91 110.78 1itf h THR 52 Ca -0.18 -0.50 0.21 0.00 -0.55 0.00 0.00 66.41 65.39 1itf h THR 52 Cb 1.32 1.30 -0.14 0.00 -1.73 0.00 0.00 68.15 68.90 1itf h THR 52 CO 0.01 0.00 0.11 0.40 -0.25 0.00 0.00 175.52 175.79 1itf h ILE 53 N 0.00 0.30 -0.63 6.82 2.04 -1.94 0.94 117.51 125.03 1itf h ILE 53 Ca 0.00 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 1itf h ILE 53 Cb 0.75 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1itf h ILE 53 CO 0.00 0.03 0.08 1.55 0.00 0.00 0.00 178.15 179.80 1itf h PRO 54 N 0.14 1.05 -0.30 2.37 0.13 -1.87 0.24 132.00 133.76 1itf h PRO 54 Ca 0.49 -0.29 -0.15 0.00 -0.87 0.00 0.00 66.00 65.19 1itf h PRO 54 Cb 0.94 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1itf h PRO 54 CO -0.69 0.98 -0.41 0.28 -0.23 0.00 0.00 178.00 177.94 1itf h VAL 55 N 0.98 1.29 -0.30 1.56 2.07 -0.81 -2.34 116.25 118.70 1itf h VAL 55 Ca 0.19 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.05 1itf h VAL 55 Cb 0.46 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1itf h VAL 55 CO 0.02 0.51 -0.12 -0.07 0.02 0.00 0.00 177.57 177.93 1itf h LEU 56 N 0.60 0.49 -0.35 2.57 3.38 0.11 -0.02 115.31 122.09 1itf h LEU 56 Ca 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1itf h LEU 56 Cb 0.96 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1itf h LEU 56 CO 0.09 0.64 0.23 -0.74 0.09 0.00 0.00 178.44 178.75 1itf h HIS 57 N 0.47 0.44 -0.03 1.13 2.76 -0.06 0.83 115.15 120.69 1itf h HIS 57 Ca 0.09 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.16 1itf h HIS 57 Cb 0.49 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1itf h HIS 57 CO 0.02 0.29 -0.46 1.49 -1.30 0.00 0.00 177.93 177.97 1itf h GLU 58 N 0.46 0.06 -0.66 5.26 4.22 -1.07 -1.88 114.58 120.98 1itf h GLU 58 Ca 0.13 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.49 1itf h GLU 58 Cb -0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1itf h GLU 58 CO -0.03 0.51 0.23 1.98 -2.18 0.00 0.00 179.01 179.52 1itf h MET 59 N 0.05 0.98 -0.00 1.92 4.05 0.21 0.13 114.93 122.27 1itf h MET 59 Ca 0.00 -0.18 -0.15 0.00 -0.28 0.00 0.00 59.70 59.10 1itf h MET 59 Cb 0.83 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 1itf h MET 59 CO 0.06 0.82 -0.69 0.82 0.23 0.00 0.00 176.91 178.15 1itf h ILE 60 N 0.96 1.49 -0.04 1.77 1.08 -0.48 -1.32 117.51 120.97 1itf h ILE 60 Ca 0.22 -2.36 -0.15 0.00 -0.39 0.00 0.00 64.86 62.18 1itf h ILE 60 Cb 0.23 2.27 -0.01 0.00 -3.07 0.00 0.00 36.82 36.23 1itf h ILE 60 CO -0.01 0.67 -0.67 1.56 -0.69 0.00 0.00 178.15 179.01 1itf h GLN 61 N 0.02 0.17 0.01 2.37 1.08 -0.59 0.19 115.11 118.36 1itf h GLN 61 Ca -0.01 -0.13 -0.26 0.00 -1.45 0.00 0.00 58.65 56.80 1itf h GLN 61 Cb 1.23 0.03 0.02 0.00 -0.05 0.00 0.00 27.48 28.71 1itf h GLN 61 CO 0.09 0.78 -1.00 1.96 -0.95 0.00 0.00 178.83 179.71 1itf h GLN 62 N 0.12 0.67 0.00 1.46 1.08 -0.60 -2.36 115.11 115.48 1itf h GLN 62 Ca -0.01 -0.73 -0.15 0.00 -1.45 0.00 0.00 58.65 56.30 1itf h GLN 62 Cb 1.21 0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.82 1itf h GLN 62 CO 0.10 1.31 -0.73 0.82 -0.95 0.00 0.00 178.83 179.38 1itf h ILE 63 N 0.33 1.49 -0.37 2.54 2.04 -1.24 0.52 117.51 122.82 1itf h ILE 63 Ca -0.13 -2.54 -0.04 0.00 1.00 0.00 0.00 64.86 63.15 1itf h ILE 63 Cb 1.66 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 40.11 1itf h ILE 63 CO 0.20 0.72 0.06 0.15 0.00 0.00 0.00 178.15 179.27 1itf h PHE 64 N 0.00 0.65 0.22 1.37 3.04 -0.60 -1.43 116.94 120.19 1itf h PHE 64 Ca -0.01 -0.09 -0.32 0.00 3.98 0.00 0.00 57.97 61.53 1itf h PHE 64 Cb 1.33 -0.18 0.03 0.00 2.56 0.00 0.00 35.95 39.69 1itf h PHE 64 CO 0.00 0.66 -1.42 -0.97 -2.02 0.00 0.00 178.31 174.57 1itf h ASN 65 N 0.45 0.75 -0.20 0.41 -0.00 -1.40 0.20 115.58 115.79 1itf h ASN 65 Ca 0.11 -0.80 0.02 0.00 -0.00 0.00 0.00 56.30 55.63 1itf h ASN 65 Cb 0.36 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.43 1itf h ASN 65 CO 0.01 1.62 0.14 0.25 -0.00 0.00 0.00 177.43 179.45 1itf h LEU 66 N 0.14 0.15 0.00 0.34 5.85 -0.88 0.65 115.31 121.56 1itf h LEU 66 Ca -0.23 -0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.25 1itf h LEU 66 Cb 2.11 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 43.06 1itf h LEU 66 CO 0.26 0.11 -1.93 0.49 -0.34 0.00 0.00 178.44 177.02 1itf n PHE 67 N -4.50 0.44 0.21 1.25 3.01 -0.54 -4.15 117.46 113.18 1itf n PHE 67 Ca 0.01 0.15 0.10 0.00 1.01 0.00 0.00 57.45 58.72 1itf n PHE 67 Cb 0.15 -0.97 0.33 0.00 -0.01 0.00 0.00 39.48 38.98 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 -3.14 4.37 0.87 0.06 -3.06 113.55 112.64 1itf h SER 68 Ca -0.31 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.67 1itf h SER 68 Cb 1.81 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 63.93 1itf h SER 68 CO 0.04 0.20 -0.15 0.35 -0.53 0.00 0.00 176.83 176.73 1itf n THR 69 N -3.24 2.75 0.28 2.23 -2.24 0.16 -4.51 114.28 109.71 1itf n THR 69 Ca 0.02 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1itf n THR 69 Cb 0.50 -0.89 0.81 0.00 -2.10 0.00 0.00 70.33 68.66 1itf n THR 69 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1itf h LYS 70 N 0.51 0.00 -0.02 -0.78 1.63 -1.91 0.59 116.57 116.59 1itf h LYS 70 Ca -0.46 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.16 1itf h LYS 70 Cb 1.38 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.00 1itf h LYS 70 CO 0.50 0.02 -0.79 0.38 -3.45 0.00 0.00 179.45 176.11 1itf h ASP 71 N 0.00 0.24 0.49 4.20 3.04 -1.93 -2.35 116.42 120.11 1itf h ASP 71 Ca -0.00 -0.18 -0.28 0.00 -3.24 0.00 0.00 57.03 53.33 1itf h ASP 71 Cb 0.04 -0.07 -0.05 0.00 -1.04 0.00 0.00 39.33 38.21 1itf h ASP 71 CO 0.00 0.93 -1.71 -0.24 -2.04 0.00 0.00 179.24 176.19 1itf n SER 72 N -3.72 0.82 -0.08 4.15 2.88 -0.48 -2.20 113.62 114.98 1itf n SER 72 Ca -0.03 0.39 -0.06 0.00 -1.33 0.00 0.00 58.87 57.84 1itf n SER 72 Cb 0.75 0.03 0.12 0.00 -0.75 0.00 0.00 64.21 64.36 1itf n SER 72 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1itf h SER 73 N 0.00 0.74 1.35 -3.46 0.87 0.23 -0.63 113.55 112.66 1itf h SER 73 Ca -0.28 -0.24 -0.11 0.00 -1.23 0.00 0.00 61.79 59.93 1itf h SER 73 Cb 1.97 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.71 1itf h SER 73 CO 0.07 0.91 -0.67 0.00 -0.53 0.00 0.00 176.83 176.61 1itf h ALA 74 N 1.16 0.68 -0.49 6.23 0.00 -1.55 -3.28 119.26 122.01 1itf h ALA 74 Ca 0.11 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1itf h ALA 74 Cb 0.63 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1itf h ALA 74 CO 0.04 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.82 1itf h ALA 75 N 1.52 0.67 -1.31 0.00 0.00 -0.92 -3.45 119.26 115.77 1itf h ALA 75 Ca -0.03 -0.34 -0.52 0.00 0.00 0.00 0.00 54.91 54.02 1itf h ALA 75 Cb 1.39 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1itf h ALA 75 CO 0.06 0.57 -0.36 -1.58 0.00 0.00 0.00 179.25 177.94 1itf s TRP 76 N -4.83 2.44 0.14 0.00 0.52 -0.30 -5.04 118.94 111.87 1itf s TRP 76 Ca -0.12 -0.58 -0.31 0.00 0.02 0.00 0.00 56.10 55.11 1itf s TRP 76 Cb 0.12 -2.11 -0.08 0.00 -1.15 0.00 0.00 33.47 30.25 1itf s TRP 76 CO 0.85 -0.21 1.40 -0.51 0.02 0.00 0.00 176.95 178.50 1itf s ASP 77 N -4.16 6.80 0.51 2.95 1.01 -1.26 -4.80 116.67 117.71 1itf s ASP 77 Ca 0.45 2.39 0.23 0.00 0.71 0.00 0.00 52.55 56.33 1itf s ASP 77 Cb -0.02 -2.59 1.36 0.00 1.01 0.00 0.00 42.92 42.67 1itf s ASP 77 CO 0.27 -0.66 2.08 1.05 0.21 0.00 0.00 175.17 178.12 1itf h GLU 78 N 6.52 0.00 0.06 8.23 -0.00 -1.95 0.29 114.58 127.73 1itf h GLU 78 Ca -0.43 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 58.78 1itf h GLU 78 Cb 1.21 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.97 1itf h GLU 78 CO 0.85 0.12 -0.63 1.15 -0.00 0.00 0.00 179.01 180.50 1itf h THR 79 N 0.00 1.50 -0.68 -1.06 2.02 -1.95 0.26 112.91 112.99 1itf h THR 79 Ca -0.00 -2.29 -0.04 0.00 0.77 0.00 0.00 66.41 64.85 1itf h THR 79 Cb 0.26 2.93 -0.03 0.00 -1.74 0.00 0.00 68.15 69.57 1itf h THR 79 CO 0.01 0.65 0.25 -0.07 0.37 0.00 0.00 175.52 176.73 1itf h LEU 80 N -0.31 0.94 -0.68 2.58 3.38 -1.85 -1.36 115.31 118.00 1itf h LEU 80 Ca -0.10 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 1itf h LEU 80 Cb 1.42 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1itf h LEU 80 CO 0.12 0.85 -0.57 -0.07 0.09 0.00 0.00 178.44 178.86 1itf h LEU 81 N 0.99 0.31 -0.34 1.67 3.38 -0.47 -1.75 115.31 119.11 1itf h LEU 81 Ca 0.23 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1itf h LEU 81 Cb 0.22 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1itf h LEU 81 CO -0.02 0.81 0.05 -0.78 0.09 0.00 0.00 178.44 178.60 1itf h ASP 82 N 0.21 -0.03 0.08 -0.43 1.82 0.60 0.45 116.42 119.11 1itf h ASP 82 Ca -0.00 0.06 -0.10 0.00 -0.39 0.00 0.00 57.03 56.61 1itf h ASP 82 Cb 1.06 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.15 1itf h ASP 82 CO 0.09 0.02 -0.31 0.11 -1.61 0.00 0.00 179.24 177.54 1itf h LYS 83 N 0.16 0.35 0.00 0.28 1.79 -1.25 -1.81 116.57 116.09 1itf h LYS 83 Ca 0.16 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 1itf h LYS 83 Cb 0.19 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1itf h LYS 83 CO -0.23 0.63 -0.27 0.35 -1.08 0.00 0.00 179.45 178.85 1itf h PHE 84 N 0.31 0.00 0.10 -1.35 3.57 -0.11 -0.47 116.94 118.99 1itf h PHE 84 Ca 0.04 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.35 1itf h PHE 84 Cb 0.70 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.46 1itf h PHE 84 CO 0.02 0.27 -0.81 1.88 -2.23 0.00 0.00 178.31 177.43 1itf h TYR 85 N 0.00 0.63 -0.57 0.41 0.05 0.44 -1.82 116.97 116.11 1itf h TYR 85 Ca -0.00 -0.41 -0.06 0.00 0.05 0.00 0.00 58.73 58.30 1itf h TYR 85 Cb 0.57 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 1itf h TYR 85 CO 0.00 1.28 0.11 1.15 -1.05 0.00 0.00 178.16 179.65 1itf h THR 86 N -0.20 1.24 -0.16 -2.88 2.02 -1.15 0.19 112.91 111.97 1itf h THR 86 Ca -0.13 -0.90 -0.18 0.00 0.77 0.00 0.00 66.41 65.97 1itf h THR 86 Cb 1.58 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1itf h THR 86 CO 0.16 0.33 -0.64 -0.33 0.37 0.00 0.00 175.52 175.41 1itf h GLU 87 N 0.86 0.58 -0.43 6.66 4.39 -1.15 -0.67 114.58 124.82 1itf h GLU 87 Ca 0.18 -0.41 -0.09 0.00 0.34 0.00 0.00 59.36 59.38 1itf h GLU 87 Cb 0.35 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1itf h GLU 87 CO 0.00 1.03 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.72 1itf h LEU 88 N 0.43 0.75 -0.06 1.33 3.38 -0.88 -0.38 115.31 119.88 1itf h LEU 88 Ca -0.01 -0.22 -0.25 0.00 0.09 0.00 0.00 57.88 57.49 1itf h LEU 88 Cb 1.21 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.78 1itf h LEU 88 CO 0.12 0.88 -0.97 0.22 0.09 0.00 0.00 178.44 178.78 1itf h TYR 89 N 0.70 1.01 -0.09 1.13 5.03 -0.86 -1.25 116.97 122.64 1itf h TYR 89 Ca 0.12 -0.52 -0.02 0.00 2.58 0.00 0.00 58.73 60.89 1itf h TYR 89 Cb 0.56 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.71 1itf h TYR 89 CO 0.03 1.36 -0.01 0.37 -1.32 0.00 0.00 178.16 178.59 1itf h GLN 90 N 0.42 0.17 0.00 1.82 -0.00 -1.00 -0.82 115.11 115.70 1itf h GLN 90 Ca -0.11 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.44 1itf h GLN 90 Cb 1.62 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 29.08 1itf h GLN 90 CO 0.19 0.46 -0.19 -0.56 0.00 0.00 0.00 178.83 178.73 1itf h GLN 91 N -0.13 0.00 -0.35 1.69 3.07 -1.14 -1.83 115.11 116.42 1itf h GLN 91 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.69 1itf h GLN 91 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.94 1itf h GLN 91 CO 0.01 0.19 -0.06 -0.07 0.09 0.00 0.00 178.83 178.98 1itf h LEU 92 N 0.00 0.66 -1.27 0.06 3.38 -0.81 0.00 115.31 117.33 1itf h LEU 92 Ca -0.00 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1itf h LEU 92 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1itf h LEU 92 CO 0.02 0.85 0.39 0.78 0.09 0.00 0.00 178.44 180.58 1itf h ASN 93 N 0.45 0.78 -0.50 -0.43 2.35 -0.41 -0.13 115.58 117.68 1itf h ASN 93 Ca 0.09 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1itf h ASN 93 Cb 0.56 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1itf h ASN 93 CO 0.03 0.61 -0.07 0.44 -1.65 0.00 0.00 177.43 176.79 1itf h ASP 94 N 0.90 0.93 -0.17 5.81 5.19 -0.97 0.24 116.42 128.35 1itf h ASP 94 Ca 0.24 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1itf h ASP 94 Cb -0.02 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.23 1itf h ASP 94 CO -0.04 1.05 0.07 -0.07 -3.12 0.00 0.00 179.24 177.13 1itf h LEU 95 N 0.79 0.23 -1.09 1.55 3.38 -0.09 -2.71 115.31 117.37 1itf h LEU 95 Ca 0.13 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1itf h LEU 95 Cb 0.62 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1itf h LEU 95 CO 0.04 0.32 -0.36 1.05 0.09 0.00 0.00 178.44 179.59 1itf h GLU 96 N 0.12 0.00 -0.77 1.13 4.11 -1.00 -2.96 114.58 115.22 1itf h GLU 96 Ca 0.06 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.55 1itf h GLU 96 Cb 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1itf h GLU 96 CO -0.01 0.36 0.45 0.00 0.07 0.00 0.00 179.01 179.88 1itf h ALA 97 N 1.64 1.05 -0.36 1.06 0.00 -0.61 0.38 119.26 122.43 1itf h ALA 97 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1itf h ALA 97 Cb 0.81 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1itf h ALA 97 CO 0.05 0.13 0.19 0.00 0.00 0.00 0.00 179.25 179.63 1itf h VAL 99 N 0.46 1.23 0.30 0.00 2.07 -1.12 -3.06 116.25 116.13 1itf h VAL 99 Ca 0.13 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1itf h VAL 99 Cb 0.07 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1itf h VAL 99 CO -0.02 0.23 -0.14 0.40 0.02 0.00 0.00 177.57 178.05 1itf h ILE 100 N 1.19 0.72 -3.81 4.57 2.04 0.10 -3.45 117.51 118.88 1itf h ILE 100 Ca 0.32 -0.48 -0.44 0.00 1.00 0.00 0.00 64.86 65.26 1itf h ILE 100 Cb -0.11 0.98 0.17 0.00 -0.74 0.00 0.00 36.82 37.11 1itf h ILE 100 CO -0.07 0.10 0.20 -1.10 0.00 0.00 0.00 178.15 177.28 1itf s GLN 101 N -5.01 -0.02 0.61 2.37 -1.52 -0.36 -4.90 119.66 110.82 1itf s GLN 101 Ca -0.15 0.23 0.38 0.00 -1.95 0.00 0.00 55.36 53.88 1itf s GLN 101 Cb 0.03 -1.71 1.94 0.00 -0.22 0.00 0.00 33.01 33.05 1itf s GLN 101 CO 0.58 -2.97 2.21 0.78 -0.25 0.00 0.00 175.29 175.63 1itf h GLY 102 N -2.06 0.00 -0.95 3.09 0.00 -1.87 -3.44 103.07 97.85 1itf h GLY 102 Ca -0.51 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.42 1itf h GLY 102 CO 0.50 0.00 -0.01 -1.34 0.00 0.00 0.00 176.54 175.69 1itf s VAL 103 N -4.06 1.41 0.00 4.60 -7.23 -1.26 -4.72 120.40 109.14 1itf s VAL 103 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 1itf s VAL 103 Cb 0.12 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1itf s VAL 103 CO 0.49 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 1itf n GLY 104 N 0.46 0.41 3.55 2.32 0.00 -1.26 -4.42 105.19 106.24 1itf n GLY 104 Ca 0.12 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 -0.18 1.61 0.11 -1.20 -4.78 120.40 115.97 1itf s VAL 105 Ca 0.00 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.74 1itf s VAL 105 Cb 0.00 -0.96 0.13 0.00 -1.53 0.00 0.00 36.38 34.02 1itf s VAL 105 CO 0.00 -0.01 1.00 0.28 -3.33 0.00 0.00 175.10 173.04 1itf s THR 106 N -0.41 0.00 0.22 5.04 -1.32 -1.26 -4.99 115.64 112.92 1itf s THR 106 Ca -0.06 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1itf s THR 106 Cb -0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1itf s THR 106 CO 0.05 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.84 1itf n GLU 107 N 0.95 0.00 -3.64 7.08 1.02 -1.26 -5.15 120.64 119.64 1itf n GLU 107 Ca -0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.98 1itf n GLU 107 Cb 0.58 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.93 1itf n GLU 107 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1itf s THR 108 N -1.45 0.00 -0.81 2.62 -1.32 -1.26 -5.09 115.64 108.32 1itf s THR 108 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 1itf s THR 108 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1itf s THR 108 CO 0.00 0.00 1.79 -2.16 -2.21 0.00 0.00 174.62 172.04 1itf s PRO 109 N 0.67 2.78 0.07 7.08 0.04 -1.26 -4.56 135.00 139.82 1itf s PRO 109 Ca -0.01 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 60.91 1itf s PRO 109 Cb -0.04 -4.81 0.00 0.00 0.04 0.00 0.00 34.50 29.69 1itf s PRO 109 CO -0.11 -2.90 0.00 1.28 0.04 0.00 0.00 177.00 175.32 1itf n LEU 110 N 12.44 0.55 -0.43 -3.56 4.32 -1.26 -4.84 117.00 124.21 1itf n LEU 110 Ca 0.29 0.11 0.05 0.00 -0.02 0.00 0.00 56.01 56.44 1itf n LEU 110 Cb 0.49 -0.14 0.12 0.00 -1.62 0.00 0.00 43.42 42.28 1itf n LEU 110 CO 0.65 -0.65 0.60 1.15 -1.22 0.00 0.00 177.39 177.92 1itf n MET 111 N -3.08 2.76 0.13 3.23 0.00 -1.26 -4.60 117.12 114.29 1itf n MET 111 Ca 0.00 -2.08 -0.00 0.00 0.00 0.00 0.00 57.70 55.62 1itf n MET 111 Cb 0.00 -1.31 0.27 0.00 0.00 0.00 0.00 33.22 32.18 1itf n MET 111 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1itf h LYS 112 N 1.18 0.13 -0.26 3.17 3.64 -1.88 -2.17 116.57 120.37 1itf h LYS 112 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1itf h LYS 112 Cb 0.81 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1itf h LYS 112 CO 0.04 0.52 0.00 -1.91 -2.27 0.00 0.00 179.45 175.83 1itf n GLU 113 N -4.04 1.52 0.05 1.90 2.13 -1.26 -3.85 120.64 117.09 1itf n GLU 113 Ca -0.02 -0.74 -0.20 0.00 0.66 0.00 0.00 57.16 56.87 1itf n GLU 113 Cb 0.46 -1.20 -0.14 0.00 0.27 0.00 0.00 31.44 30.83 1itf n GLU 113 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1itf h ASP 114 N 1.17 0.52 -0.59 4.31 5.19 -1.71 0.43 116.42 125.75 1itf h ASP 114 Ca 0.00 -0.92 -0.10 0.00 -0.62 0.00 0.00 57.03 55.39 1itf h ASP 114 Cb 0.32 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1itf h ASP 114 CO 0.01 1.40 -0.04 -1.28 -3.12 0.00 0.00 179.24 176.21 1itf h SER 115 N -0.27 1.06 0.33 6.45 0.87 -1.74 0.59 113.55 120.84 1itf h SER 115 Ca -0.14 -0.32 -0.10 0.00 -1.23 0.00 0.00 61.79 60.00 1itf h SER 115 Cb 1.64 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 1itf h SER 115 CO 0.16 1.13 -0.42 0.40 -0.53 0.00 0.00 176.83 177.57 1itf h ILE 116 N 0.97 1.31 -0.18 2.23 2.04 -1.70 -2.16 117.51 120.01 1itf h ILE 116 Ca 0.16 -1.49 -0.10 0.00 1.00 0.00 0.00 64.86 64.43 1itf h ILE 116 Cb 0.60 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1itf h ILE 116 CO 0.04 0.44 -0.34 -0.07 0.00 0.00 0.00 178.15 178.21 1itf h LEU 117 N 0.10 0.39 -0.09 1.44 3.38 0.73 0.16 115.31 121.42 1itf h LEU 117 Ca 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1itf h LEU 117 Cb 0.78 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1itf h LEU 117 CO 0.06 0.71 0.02 0.00 0.09 0.00 0.00 178.44 179.32 1itf h ALA 118 N 1.32 0.12 -0.07 1.53 0.00 -0.31 0.04 119.26 121.89 1itf h ALA 118 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1itf h ALA 118 Cb 0.76 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1itf h ALA 118 CO 0.06 -0.24 -0.15 0.28 0.00 0.00 0.00 179.25 179.20 1itf h VAL 119 N -0.07 1.15 -0.48 0.00 2.07 -1.20 -1.52 116.25 116.20 1itf h VAL 119 Ca 0.03 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.75 1itf h VAL 119 Cb 0.26 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1itf h VAL 119 CO 0.00 0.20 -0.20 -0.09 0.02 0.00 0.00 177.57 177.50 1itf h ARG 120 N 0.10 0.99 -0.28 1.57 2.43 -0.06 -0.44 114.38 118.69 1itf h ARG 120 Ca 0.02 -0.42 -0.12 0.00 -0.81 0.00 0.00 59.98 58.65 1itf h ARG 120 Cb 0.33 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1itf h ARG 120 CO 0.02 1.09 -0.32 -0.22 -1.51 0.00 0.00 179.97 179.04 1itf h LYS 121 N 0.85 0.60 -0.21 0.20 1.63 -0.47 0.21 116.57 119.36 1itf h LYS 121 Ca 0.11 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.63 1itf h LYS 121 Cb 0.78 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1itf h LYS 121 CO 0.06 0.84 0.07 -0.92 -3.45 0.00 0.00 179.45 176.06 1itf h TYR 122 N 0.51 0.34 0.00 1.91 3.20 -1.04 -2.04 116.97 119.85 1itf h TYR 122 Ca 0.06 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1itf h TYR 122 Cb 0.80 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1itf h TYR 122 CO 0.03 0.40 -0.31 0.74 -1.64 0.00 0.00 178.16 177.38 1itf h PHE 123 N 0.17 0.00 -0.64 -3.82 -1.00 -0.91 -2.22 116.94 108.53 1itf h PHE 123 Ca 0.07 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.79 1itf h PHE 123 Cb 0.22 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.75 1itf h PHE 123 CO -0.00 0.31 0.18 0.37 -1.61 0.00 0.00 178.31 177.56 1itf h GLN 124 N 0.00 1.01 -0.44 1.51 5.75 -0.12 0.32 115.11 123.13 1itf h GLN 124 Ca -0.00 -0.23 -0.12 0.00 -0.15 0.00 0.00 58.65 58.15 1itf h GLN 124 Cb 0.77 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 1itf h GLN 124 CO 0.04 0.90 -0.19 -0.09 -2.65 0.00 0.00 178.83 176.84 1itf h ARG 125 N 0.93 0.86 -0.70 1.69 9.65 -1.06 -2.05 114.38 123.71 1itf h ARG 125 Ca 0.20 -0.34 -0.03 0.00 -1.10 0.00 0.00 59.98 58.71 1itf h ARG 125 Cb 0.32 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 1itf h ARG 125 CO -0.00 0.98 0.32 0.82 2.80 0.00 0.00 179.97 184.89 1itf h ILE 126 N 0.76 1.23 -0.48 1.20 2.04 -0.83 0.18 117.51 121.61 1itf h ILE 126 Ca 0.11 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 65.21 1itf h ILE 126 Cb 0.72 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1itf h ILE 126 CO 0.06 0.27 -0.11 0.74 0.00 0.00 0.00 178.15 179.12 1itf h THR 127 N 0.99 1.27 -0.31 -0.27 2.02 -0.59 -1.74 112.91 114.29 1itf h THR 127 Ca 0.24 -1.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.08 1itf h THR 127 Cb 0.12 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1itf h THR 127 CO -0.03 0.43 -0.27 -0.07 0.37 0.00 0.00 175.52 175.95 1itf h LEU 128 N 0.76 0.65 -0.90 2.58 -0.00 -0.98 -1.69 115.31 115.73 1itf h LEU 128 Ca 0.12 -0.24 -0.05 0.00 -0.00 0.00 0.00 57.88 57.72 1itf h LEU 128 Cb 0.65 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 1itf h LEU 128 CO 0.05 0.89 0.27 0.22 -0.00 0.00 0.00 178.44 179.86 1itf h TYR 129 N 0.55 1.09 -0.41 1.13 3.20 -0.74 0.17 116.97 121.94 1itf h TYR 129 Ca 0.07 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1itf h TYR 129 Cb 0.75 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1itf h TYR 129 CO 0.03 0.84 -0.09 -0.07 -1.64 0.00 0.00 178.16 177.23 1itf h LEU 130 N 1.04 0.80 -1.22 2.82 3.38 -0.99 -1.22 115.31 119.91 1itf h LEU 130 Ca 0.24 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1itf h LEU 130 Cb 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1itf h LEU 130 CO -0.02 0.97 -0.21 0.11 0.09 0.00 0.00 178.44 179.38 1itf h LYS 131 N 0.61 0.00 -0.01 1.13 1.57 -0.90 0.41 116.57 119.38 1itf h LYS 131 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1itf h LYS 131 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1itf h LYS 131 CO 0.04 0.21 -0.07 0.93 -0.57 0.00 0.00 179.45 179.99 1itf h GLU 132 N 0.00 0.07 -0.01 3.15 5.08 -0.26 -3.05 114.58 119.56 1itf h GLU 132 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1itf h GLU 132 Cb 0.69 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1itf h GLU 132 CO 0.03 0.75 0.00 1.63 -1.00 0.00 0.00 179.01 180.42 1itf n LYS 133 N -4.68 1.05 -3.56 2.33 4.01 -0.50 -4.88 118.16 111.92 1itf n LYS 133 Ca -0.09 -0.07 -0.23 0.00 -0.51 0.00 0.00 58.31 57.41 1itf n LYS 133 Cb 0.38 -1.41 0.08 0.00 -0.51 0.00 0.00 35.03 33.57 1itf n LYS 133 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1itf n LYS 134 N -0.83 -7.72 -3.45 1.97 5.02 -0.02 -2.78 118.16 110.35 1itf n LYS 134 Ca 0.19 0.80 -0.18 0.00 -2.02 0.00 0.00 58.31 57.11 1itf n LYS 134 Cb 0.11 -5.77 0.08 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 -4.93 -2.18 -1.82 2.13 4.01 0.13 -4.99 117.16 109.51 1itf n TYR 135 Ca 0.01 0.90 -0.31 0.00 -0.16 0.00 0.00 57.90 58.34 1itf n TYR 135 Cb 0.56 -4.81 0.02 0.00 -0.31 0.00 0.00 39.34 34.80 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 -4.20 5.99 0.23 7.72 0.01 -1.12 -4.91 113.70 117.42 1itf s SER 136 Ca 0.08 1.41 -0.02 0.00 1.31 0.00 0.00 55.95 58.73 1itf s SER 136 Cb -0.01 -2.40 0.23 0.00 0.21 0.00 0.00 66.02 64.04 1itf s SER 136 CO 0.75 -1.02 1.62 1.55 0.41 0.00 0.00 173.24 176.54 1itf h PRO 137 N -0.43 0.61 -0.33 12.44 0.13 -1.94 -0.59 132.00 141.89 1itf h PRO 137 Ca -0.44 -0.28 -0.12 0.00 -0.87 0.00 0.00 66.00 64.28 1itf h PRO 137 Cb 1.20 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1itf h PRO 137 CO 0.61 0.86 -0.28 0.00 -0.23 0.00 0.00 178.00 178.97 1itf h ALA 139 N 0.74 1.12 -0.41 0.00 0.00 -1.83 -1.36 119.26 117.51 1itf h ALA 139 Ca 0.06 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1itf h ALA 139 Cb 0.85 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1itf h ALA 139 CO 0.07 0.56 -0.31 -1.49 0.00 0.00 0.00 179.25 178.08 1itf h TRP 140 N 0.67 1.07 -0.38 0.00 4.06 -0.95 -1.22 115.95 119.20 1itf h TRP 140 Ca 0.13 -0.29 -0.09 0.00 2.06 0.00 0.00 58.89 60.69 1itf h TRP 140 Cb 0.49 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1itf h TRP 140 CO 0.02 1.10 -0.15 1.49 -3.56 0.00 0.00 178.44 177.34 1itf h GLU 141 N 0.77 0.70 -0.60 0.49 4.81 -0.99 0.31 114.58 120.06 1itf h GLU 141 Ca 0.08 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1itf h GLU 141 Cb 0.88 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 1itf h GLU 141 CO 0.08 0.82 0.27 0.28 -0.73 0.00 0.00 179.01 179.73 1itf h VAL 142 N 0.63 1.22 0.00 0.32 2.07 -1.03 -1.22 116.25 118.24 1itf h VAL 142 Ca 0.10 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 1itf h VAL 142 Cb 0.61 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1itf h VAL 142 CO 0.04 0.26 -0.26 0.58 0.02 0.00 0.00 177.57 178.21 1itf h VAL 143 N 0.83 0.61 -0.11 2.57 2.07 -0.72 -1.16 116.25 120.34 1itf h VAL 143 Ca 0.21 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 1itf h VAL 143 Cb 0.15 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1itf h VAL 143 CO -0.02 0.25 -0.12 -0.09 0.02 0.00 0.00 177.57 177.61 1itf h ARG 144 N 0.00 0.28 -0.31 1.57 2.43 0.57 0.18 114.38 119.09 1itf h ARG 144 Ca -0.00 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 58.91 1itf h ARG 144 Cb 0.82 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1itf h ARG 144 CO 0.03 0.70 -0.26 0.00 -1.51 0.00 0.00 179.97 178.93 1itf h ALA 145 N 0.58 0.96 -0.43 2.80 0.00 -1.19 -0.61 119.26 121.38 1itf h ALA 145 Ca 0.02 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1itf h ALA 145 Cb 0.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1itf h ALA 145 CO 0.03 0.61 -0.12 0.93 0.00 0.00 0.00 179.25 180.70 1itf h GLU 146 N 0.54 0.77 -0.29 0.00 4.39 -1.12 -1.24 114.58 117.64 1itf h GLU 146 Ca 0.07 -0.26 -0.14 0.00 0.34 0.00 0.00 59.36 59.38 1itf h GLU 146 Cb 0.73 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1itf h GLU 146 CO 0.06 0.86 -0.39 0.82 -1.16 0.00 0.00 179.01 179.20 1itf h ILE 147 N 0.70 1.29 -0.02 3.13 1.08 -0.25 -0.90 117.51 122.53 1itf h ILE 147 Ca 0.12 -1.55 -0.00 0.00 -0.39 0.00 0.00 64.86 63.04 1itf h ILE 147 Cb 0.60 1.49 -0.00 0.00 -3.07 0.00 0.00 36.82 35.83 1itf h ILE 147 CO 0.04 0.50 0.01 -0.03 -0.69 0.00 0.00 178.15 177.97 1itf h MET 148 N 0.55 0.04 -0.40 2.37 4.05 -0.73 0.12 114.93 120.92 1itf h MET 148 Ca 0.05 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 1itf h MET 148 Cb 0.91 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.69 1itf h MET 148 CO 0.08 0.22 0.10 -0.09 0.23 0.00 0.00 176.91 177.45 1itf h ARG 149 N -0.15 0.64 -0.06 0.39 1.12 -1.19 -0.92 114.38 114.21 1itf h ARG 149 Ca 0.01 -0.16 -0.06 0.00 -1.11 0.00 0.00 59.98 58.66 1itf h ARG 149 Cb 0.20 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 1itf h ARG 149 CO -0.00 0.67 -0.24 0.77 -3.11 0.00 0.00 179.97 178.06 1itf h SER 150 N 0.51 0.09 -0.20 -3.80 0.02 -1.11 -0.87 113.55 108.19 1itf h SER 150 Ca 0.13 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 1itf h SER 150 Cb 0.31 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1itf h SER 150 CO 0.00 0.34 -0.44 0.15 -1.14 0.00 0.00 176.83 175.74 1itf h PHE 151 N 0.09 0.83 -0.37 3.45 3.57 -0.31 -1.52 116.94 122.67 1itf h PHE 151 Ca 0.01 -0.31 -0.08 0.00 3.53 0.00 0.00 57.97 61.13 1itf h PHE 151 Cb 0.47 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1itf h PHE 151 CO 0.00 1.08 -0.11 1.03 -2.23 0.00 0.00 178.31 178.08 1itf h SER 152 N 0.34 0.63 -0.10 0.41 0.87 -0.86 -0.81 113.55 114.04 1itf h SER 152 Ca 0.00 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1itf h SER 152 Cb 1.04 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1itf h SER 152 CO 0.10 0.77 0.01 -0.07 -0.53 0.00 0.00 176.83 177.11 1itf h LEU 153 N 0.59 0.16 -0.37 2.23 3.38 -1.06 0.20 115.31 120.44 1itf h LEU 153 Ca 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1itf h LEU 153 Cb 0.53 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1itf h LEU 153 CO 0.03 0.40 0.12 0.28 0.09 0.00 0.00 178.44 179.37 1itf h SER 154 N -0.08 0.53 0.72 -0.43 0.02 -1.14 -2.53 113.55 110.63 1itf h SER 154 Ca 0.03 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1itf h SER 154 Cb 0.31 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1itf h SER 154 CO 0.00 0.58 0.00 0.35 -1.14 0.00 0.00 176.83 176.63 1itf n THR 155 N -4.64 0.15 0.29 -2.27 -2.24 -0.32 -3.33 114.28 101.92 1itf n THR 155 Ca -0.01 0.04 0.16 0.00 -2.27 0.00 0.00 64.05 61.97 1itf n THR 155 Cb 0.17 -0.58 0.78 0.00 -2.10 0.00 0.00 70.33 68.60 1itf n THR 155 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1itf h ASN 156 N 0.00 0.00 0.42 3.42 -1.24 -0.15 -2.14 115.58 115.89 1itf h ASN 156 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1itf h ASN 156 Cb 0.36 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 1itf h ASN 156 CO 0.00 0.00 -0.20 -0.07 -1.29 0.00 0.00 177.43 175.87 1itf h LEU 157 N 0.00 0.00 -0.45 0.34 -0.00 -1.71 -2.83 115.31 110.66 1itf h LEU 157 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.96 1itf h LEU 157 Cb 0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.79 1itf h LEU 157 CO 0.00 0.20 0.02 -0.61 -0.00 0.00 0.00 178.44 178.05 1itf h GLN 158 N 0.00 0.13 -2.62 1.13 4.15 -1.66 -3.39 115.11 112.84 1itf h GLN 158 Ca -0.00 -0.01 -0.28 0.00 0.77 0.00 0.00 58.65 59.13 1itf h GLN 158 Cb 0.47 -0.03 -0.35 0.00 0.21 0.00 0.00 27.48 27.78 1itf h GLN 158 CO 0.03 0.09 -0.59 -1.21 -1.93 0.00 0.00 178.83 175.21 1itf s GLU 159 N -6.17 0.17 0.00 1.69 2.02 -1.07 -5.00 118.70 110.34 1itf s GLU 159 Ca -0.13 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1itf s GLU 159 Cb 0.15 -0.78 0.00 0.00 0.10 0.00 0.00 34.13 33.60 1itf s GLU 159 CO 0.72 -0.53 0.00 -1.13 0.02 0.00 0.00 175.26 174.34 1itf n SER 160 N 5.33 0.00 -1.73 -0.19 3.41 -1.21 -4.86 113.62 114.37 1itf n SER 160 Ca -0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.51 1itf n SER 160 Cb 0.50 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1itf n SER 160 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1itf n LEU 161 N -1.44 0.00 -3.30 1.04 4.32 -1.26 -5.07 117.00 111.29 1itf n LEU 161 Ca 0.00 -0.69 -0.36 0.00 -0.02 0.00 0.00 56.01 54.94 1itf n LEU 161 Cb 0.00 0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1itf n LEU 161 CO 0.00 -0.11 0.97 -2.11 -1.22 0.00 0.00 177.39 174.92 1itf n ARG 162 N -0.17 4.43 -1.38 3.23 1.85 -1.26 -5.05 116.66 118.32 1itf n ARG 162 Ca 0.00 -4.64 -0.32 0.00 -1.00 0.00 0.00 57.85 51.89 1itf n ARG 162 Cb 0.13 -2.37 0.09 0.00 -1.05 0.00 0.00 32.46 29.26 1itf n ARG 162 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1itf s SER 163 N -2.12 4.46 -1.18 2.89 1.04 -1.26 -4.92 113.70 112.60 1itf s SER 163 Ca 0.44 2.00 -0.04 0.00 0.48 0.00 0.00 55.95 58.83 1itf s SER 163 Cb 0.25 -2.55 0.22 0.00 0.10 0.00 0.00 66.02 64.05 1itf s SER 163 CO -0.16 -2.07 2.00 1.17 0.98 0.00 0.00 173.24 175.16 1itf n LYS 164 N -3.13 4.77 0.00 4.02 3.00 -1.26 -5.25 118.16 120.31 1itf n LYS 164 Ca 0.10 -4.06 0.04 0.00 -0.00 0.00 0.00 58.31 54.39 1itf n LYS 164 Cb 0.52 -2.59 0.03 0.00 0.00 0.00 0.00 35.03 32.99 1itf n LYS 164 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79