#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 3.94 -2.68 0.00 5.68 -1.26 -4.50 116.55 117.73 1itf n ASP 2 Ca 0.00 -2.84 -0.08 0.00 -0.50 0.00 0.00 54.79 51.37 1itf n ASP 2 Cb 0.00 -1.63 0.05 0.00 -1.14 0.00 0.00 41.12 38.40 1itf n ASP 2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1itf n LEU 3 N 6.83 0.89 -4.67 -2.12 -0.00 -1.26 -5.02 117.00 111.65 1itf n LEU 3 Ca 0.51 -3.59 -0.31 0.00 -0.00 0.00 0.00 56.01 52.62 1itf n LEU 3 Cb 0.41 0.37 0.16 0.00 -0.00 0.00 0.00 43.42 44.35 1itf n LEU 3 CO 0.88 1.56 0.66 -2.16 -0.00 0.00 0.00 177.39 178.34 1itf s PRO 4 N -2.62 1.00 -0.94 1.47 0.04 -1.26 -4.95 135.00 127.74 1itf s PRO 4 Ca 0.26 1.34 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 1itf s PRO 4 Cb 0.44 -1.74 0.31 0.00 0.04 0.00 0.00 34.50 33.55 1itf s PRO 4 CO 0.01 -2.57 1.46 0.00 0.04 0.00 0.00 177.00 175.94 1itf n GLN 5 N -4.17 4.48 0.00 4.56 10.64 -1.26 -4.67 117.38 126.95 1itf n GLN 5 Ca 0.10 -4.66 0.00 0.00 -1.83 0.00 0.00 57.00 50.61 1itf n GLN 5 Cb 0.53 -2.43 0.00 0.00 -0.86 0.00 0.00 30.24 27.48 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 0.48 0.00 -4.61 -0.39 -2.24 -1.26 -5.16 114.28 101.11 1itf n THR 6 Ca 0.36 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.87 1itf n THR 6 Cb 0.32 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.41 0.83 -3.57 4.78 8.25 -1.26 -5.16 115.22 116.68 1itf n HIS 7 Ca 0.00 -2.20 0.01 0.00 -0.26 0.00 0.00 57.72 55.27 1itf n HIS 7 Cb 0.00 -0.23 -0.06 0.00 1.12 0.00 0.00 29.99 30.82 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 -3.37 -0.20 -0.01 0.41 1.04 -1.26 -4.92 113.70 105.39 1itf s SER 8 Ca 0.04 0.31 0.15 0.00 0.48 0.00 0.00 55.95 56.93 1itf s SER 8 Cb 0.00 1.12 0.24 0.00 0.10 0.00 0.00 66.02 67.49 1itf s SER 8 CO 0.03 -0.05 1.10 0.00 0.98 0.00 0.00 173.24 175.30 1itf n LEU 9 N 3.57 0.12 0.04 2.42 -0.00 -1.26 -4.83 117.00 117.06 1itf n LEU 9 Ca -0.15 -2.02 -0.22 0.00 -0.00 0.00 0.00 56.01 53.62 1itf n LEU 9 Cb 0.56 0.01 -0.14 0.00 -0.00 0.00 0.00 43.42 43.84 1itf n LEU 9 CO 0.03 0.95 -0.26 1.23 -0.00 0.00 0.00 177.39 179.34 1itf h GLY 10 N 0.59 0.36 1.19 1.47 0.00 -2.00 -3.26 103.07 101.41 1itf h GLY 10 Ca -0.38 -0.91 -0.19 0.00 0.00 0.00 0.00 47.33 45.85 1itf h GLY 10 CO -0.07 0.80 -1.32 1.48 0.00 0.00 0.00 176.54 177.42 1itf h SER 11 N -0.24 0.00 -0.80 0.19 4.64 -1.97 -3.22 113.55 112.15 1itf h SER 11 Ca -0.25 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 1itf h SER 11 Cb 1.80 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.85 1itf h SER 11 CO 0.13 0.69 0.33 0.03 -0.87 0.00 0.00 176.83 177.13 1itf h ARG 12 N 0.00 1.19 -0.07 4.77 2.47 -1.88 -0.69 114.38 120.17 1itf h ARG 12 Ca -0.16 -0.21 -0.17 0.00 -1.26 0.00 0.00 59.98 58.19 1itf h ARG 12 Cb 1.66 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 29.80 1itf h ARG 12 CO 0.06 0.95 -0.61 0.00 0.56 0.00 0.00 179.97 180.93 1itf h ARG 13 N 1.16 0.53 -0.54 0.04 2.47 -1.69 -1.63 114.38 114.72 1itf h ARG 13 Ca 0.27 -0.48 0.02 0.00 -1.26 0.00 0.00 59.98 58.53 1itf h ARG 13 Cb 0.20 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 1itf h ARG 13 CO -0.02 1.11 0.33 1.15 0.56 0.00 0.00 179.97 183.10 1itf h THR 14 N 0.12 1.07 -0.16 2.04 2.02 -1.53 -0.20 112.91 116.27 1itf h THR 14 Ca -0.06 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 1itf h THR 14 Cb 1.28 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1itf h THR 14 CO 0.12 0.12 -0.35 -0.07 0.37 0.00 0.00 175.52 175.71 1itf h LEU 15 N 0.66 0.34 -0.89 2.58 3.38 -1.17 -2.24 115.31 117.96 1itf h LEU 15 Ca 0.21 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1itf h LEU 15 Cb 0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1itf h LEU 15 CO -0.08 0.67 0.36 -0.03 0.09 0.00 0.00 178.44 179.45 1itf h MET 16 N 0.29 1.16 -0.50 1.13 4.05 -0.29 -0.92 114.93 119.86 1itf h MET 16 Ca 0.03 -0.18 -0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1itf h MET 16 Cb 0.75 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1itf h MET 16 CO 0.06 0.91 0.30 -0.07 0.23 0.00 0.00 176.91 178.34 1itf h LEU 17 N 1.15 0.60 -1.12 3.39 3.38 -0.58 -1.50 115.31 120.63 1itf h LEU 17 Ca 0.27 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1itf h LEU 17 Cb 0.15 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1itf h LEU 17 CO -0.03 0.48 0.60 -0.07 0.09 0.00 0.00 178.44 179.50 1itf h LEU 18 N 0.67 0.99 -0.47 1.67 3.38 -0.79 -1.57 115.31 119.20 1itf h LEU 18 Ca 0.18 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1itf h LEU 18 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1itf h LEU 18 CO -0.03 0.69 0.12 0.00 0.09 0.00 0.00 178.44 179.30 1itf h ALA 19 N 1.46 0.61 -0.22 1.53 0.00 -0.47 -2.57 119.26 119.61 1itf h ALA 19 Ca 0.36 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1itf h ALA 19 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1itf h ALA 19 CO -0.10 0.29 -0.02 1.96 0.00 0.00 0.00 179.25 181.38 1itf h GLN 20 N 0.62 0.33 0.00 0.00 4.20 -0.61 -2.19 115.11 117.46 1itf h GLN 20 Ca 0.15 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1itf h GLN 20 Cb 0.31 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1itf h GLN 20 CO -0.00 0.37 -0.37 0.52 -0.67 0.00 0.00 178.83 178.68 1itf h MET 21 N 0.32 0.00 -6.01 1.46 2.86 -0.91 -3.43 114.93 109.22 1itf h MET 21 Ca 0.07 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 57.03 1itf h MET 21 Cb 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1itf h MET 21 CO 0.01 0.37 1.35 -2.13 1.06 0.00 0.00 176.91 177.57 1itf n ARG 22 N -3.97 1.02 -0.05 1.72 0.63 -0.83 -4.76 116.66 110.42 1itf n ARG 22 Ca -0.02 0.29 -0.19 0.00 -0.92 0.00 0.00 57.85 57.02 1itf n ARG 22 Cb 0.42 -2.35 -0.13 0.00 0.45 0.00 0.00 32.46 30.85 1itf n ARG 22 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1itf n LYS 23 N 7.84 0.71 -4.16 -0.14 4.01 -1.26 -4.99 118.16 120.16 1itf n LYS 23 Ca 0.41 0.21 -0.25 0.00 -0.51 0.00 0.00 58.31 58.16 1itf n LYS 23 Cb 0.20 -1.64 -0.07 0.00 -0.51 0.00 0.00 35.03 33.01 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 2.24 0.10 -0.18 -4.36 -1.26 -5.13 121.20 110.07 1itf s ILE 24 Ca -0.25 -1.71 -0.14 0.00 -0.26 0.00 0.00 60.65 58.29 1itf s ILE 24 Cb 0.08 -2.96 -0.06 0.00 1.25 0.00 0.00 42.46 40.77 1itf s ILE 24 CO 0.71 0.00 0.50 -0.44 0.24 0.00 0.00 174.94 175.95 1itf s SER 25 N -3.91 6.81 0.35 4.36 0.01 -1.26 -4.97 113.70 115.09 1itf s SER 25 Ca 0.40 1.02 0.03 0.00 1.31 0.00 0.00 55.95 58.70 1itf s SER 25 Cb 0.04 -2.27 0.64 0.00 0.21 0.00 0.00 66.02 64.64 1itf s SER 25 CO 0.22 0.18 1.99 0.25 0.41 0.00 0.00 173.24 176.28 1itf h LEU 26 N 3.90 0.68 -0.73 2.44 5.85 -1.95 -1.04 115.31 124.47 1itf h LEU 26 Ca -0.49 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.10 1itf h LEU 26 Cb 1.20 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1itf h LEU 26 CO 0.65 0.53 0.01 -0.26 -0.34 0.00 0.00 178.44 179.03 1itf h PHE 27 N 0.78 1.07 0.00 1.25 -1.00 -2.01 -0.45 116.94 116.59 1itf h PHE 27 Ca 0.21 -0.17 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1itf h PHE 27 Cb -0.02 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 39.26 1itf h PHE 27 CO 0.00 0.94 -0.06 0.77 -1.61 0.00 0.00 178.31 178.36 1itf h SER 28 N 0.91 0.00 -1.94 2.17 0.02 -1.62 -2.36 113.55 110.73 1itf h SER 28 Ca 0.17 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.40 1itf h SER 28 Cb 0.51 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 62.74 1itf h SER 28 CO 0.03 0.06 0.54 0.00 -1.14 0.00 0.00 176.83 176.32 1itf n LEU 30 N -0.44 0.36 0.01 0.00 4.32 -0.89 -3.24 117.00 117.11 1itf n LEU 30 Ca 0.48 -0.17 -0.06 0.00 -0.02 0.00 0.00 56.01 56.24 1itf n LEU 30 Cb 0.34 -0.04 -0.12 0.00 -1.62 0.00 0.00 43.42 41.99 1itf n LEU 30 CO 0.46 0.09 -0.30 0.07 -1.22 0.00 0.00 177.39 176.49 1itf h LYS 31 N 0.40 0.00 -0.18 3.23 2.10 -1.88 -3.34 116.57 116.90 1itf h LYS 31 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1itf h LYS 31 Cb 0.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 1itf h LYS 31 CO 0.00 0.55 -0.04 -0.25 -2.00 0.00 0.00 179.45 177.72 1itf n ASP 32 N -3.09 3.09 -4.59 7.07 8.00 -1.20 -4.99 116.55 120.84 1itf n ASP 32 Ca -0.11 -3.20 -0.42 0.00 0.71 0.00 0.00 54.79 51.77 1itf n ASP 32 Cb 0.98 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 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 -2.93 3.18 -0.14 -1.24 6.06 -1.23 -4.85 118.95 117.80 1itf s ARG 33 Ca 0.39 1.46 -0.13 0.00 -2.50 0.00 0.00 55.73 54.96 1itf s ARG 33 Cb 0.33 -4.26 0.04 0.00 0.06 0.00 0.00 34.95 31.12 1itf s ARG 33 CO 0.05 -2.04 0.37 -1.01 -2.50 0.00 0.00 175.30 170.17 1itf s HIS 34 N 7.58 -0.41 -0.11 5.12 3.76 -1.26 -5.10 115.29 124.87 1itf s HIS 34 Ca 0.83 0.99 -0.09 0.00 -0.15 0.00 0.00 55.06 56.65 1itf s HIS 34 Cb -0.23 0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.55 1itf s HIS 34 CO 0.32 -0.20 0.19 0.34 -0.85 0.00 0.00 174.74 174.54 1itf s ASP 35 N 0.19 6.44 -0.08 1.40 2.15 -1.26 -4.95 116.67 120.56 1itf s ASP 35 Ca -0.00 0.53 -0.14 0.00 0.43 0.00 0.00 52.55 53.37 1itf s ASP 35 Cb -0.03 -2.11 -0.29 0.00 -0.30 0.00 0.00 42.92 40.20 1itf s ASP 35 CO 0.01 0.36 0.61 -0.26 -0.17 0.00 0.00 175.17 175.71 1itf h PHE 36 N 5.16 0.56 0.00 -5.34 0.04 -1.98 -3.49 116.94 111.89 1itf h PHE 36 Ca -0.53 -0.41 0.00 0.00 2.80 0.00 0.00 57.97 59.83 1itf h PHE 36 Cb 1.22 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1itf h PHE 36 CO 0.73 1.61 0.00 0.41 -0.60 0.00 0.00 178.31 180.45 1itf n GLY 37 N 1.80 0.86 3.50 -1.45 0.00 -1.26 -5.05 105.19 103.59 1itf n GLY 37 Ca -0.25 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.25 1itf n GLY 37 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1itf n PHE 38 N 0.00 0.54 -2.61 1.61 7.35 -1.26 -4.80 117.46 118.29 1itf n PHE 38 Ca 0.00 0.90 -0.43 0.00 -0.76 0.00 0.00 57.45 57.16 1itf n PHE 38 Cb 0.00 -2.12 -0.00 0.00 0.35 0.00 0.00 39.48 37.71 1itf n PHE 38 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1itf s PRO 39 N -0.45 3.94 0.38 -7.13 0.04 -1.26 -4.72 135.00 125.81 1itf s PRO 39 Ca 0.76 -1.93 0.23 0.00 0.04 0.00 0.00 61.00 60.10 1itf s PRO 39 Cb -1.02 -5.47 0.26 0.00 0.04 0.00 0.00 34.50 28.31 1itf s PRO 39 CO 0.55 -2.21 1.47 0.37 0.04 0.00 0.00 177.00 177.23 1itf h GLN 40 N 7.83 0.00 -0.74 4.56 -0.00 -1.96 -3.25 115.11 121.55 1itf h GLN 40 Ca 0.40 0.00 0.20 0.00 -0.00 0.00 0.00 58.65 59.25 1itf h GLN 40 Cb 0.89 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.33 1itf h GLN 40 CO 1.43 0.00 0.52 1.05 0.00 0.00 0.00 178.83 181.84 1itf h GLU 41 N 0.00 0.13 -1.64 1.69 4.11 -1.93 0.17 114.58 117.11 1itf h GLU 41 Ca 0.00 -0.01 -0.73 0.00 0.07 0.00 0.00 59.36 58.69 1itf h GLU 41 Cb 1.00 -0.03 -0.29 0.00 0.50 0.00 0.00 28.75 29.93 1itf h GLU 41 CO 0.00 0.08 0.89 -1.91 0.07 0.00 0.00 179.01 178.14 1itf n GLU 42 N -4.38 2.78 0.00 1.06 2.13 -1.23 -3.95 120.64 117.06 1itf n GLU 42 Ca 0.15 -3.51 0.00 0.00 0.66 0.00 0.00 57.16 54.46 1itf n GLU 42 Cb 0.73 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 30.16 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 -0.66 -0.82 -0.02 4.31 3.72 0.57 -4.83 117.46 119.74 1itf n PHE 43 Ca 0.56 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.97 1itf n PHE 43 Cb 0.40 0.38 0.34 0.00 -0.94 0.00 0.00 39.48 39.66 1itf n PHE 43 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1itf h GLY 44 N 0.00 0.62 -4.25 1.37 0.00 -1.67 -3.37 103.07 95.78 1itf h GLY 44 Ca 0.00 -0.29 -0.64 0.00 0.00 0.00 0.00 47.33 46.40 1itf h GLY 44 CO 0.00 0.28 -0.67 0.21 0.00 0.00 0.00 176.54 176.36 1itf s ASN 45 N -6.68 4.92 -0.26 0.19 2.47 -1.25 -4.48 114.94 109.85 1itf s ASN 45 Ca -0.08 -0.24 0.00 0.00 0.42 0.00 0.00 52.86 52.96 1itf s ASN 45 Cb 0.16 -1.13 0.00 0.00 -1.45 0.00 0.00 41.25 38.84 1itf s ASN 45 CO 0.75 0.15 0.00 1.67 -3.72 0.00 0.00 177.10 175.96 1itf n GLN 46 N 0.41 -0.33 -3.35 0.43 -0.06 -1.26 -4.47 117.38 108.75 1itf n GLN 46 Ca -0.11 0.42 -0.14 0.00 -2.00 0.00 0.00 57.00 55.17 1itf n GLN 46 Cb 0.53 -3.94 -0.07 0.00 -4.06 0.00 0.00 30.24 22.69 1itf n GLN 46 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 1itf s PHE 47 N -2.01 -0.52 -0.27 3.69 0.08 -1.26 -4.88 117.98 112.80 1itf s PHE 47 Ca 0.00 -0.51 -0.00 0.00 0.12 0.00 0.00 56.93 56.53 1itf s PHE 47 Cb 0.00 -0.32 0.05 0.00 -0.57 0.00 0.00 43.02 42.17 1itf s PHE 47 CO 0.00 -0.98 -0.05 -0.65 -0.10 0.00 0.00 175.22 173.44 1itf s GLN 48 N 1.72 2.50 -0.07 0.44 -1.52 -1.26 -4.79 119.66 116.68 1itf s GLN 48 Ca 0.15 -1.20 -0.05 0.00 -1.95 0.00 0.00 55.36 52.30 1itf s GLN 48 Cb -0.14 -3.04 0.02 0.00 -0.22 0.00 0.00 33.01 29.64 1itf s GLN 48 CO -0.11 -0.54 0.11 1.17 -0.25 0.00 0.00 175.29 175.67 1itf n LYS 49 N 4.59 -4.78 -3.42 2.91 3.00 -1.26 -4.60 118.16 114.60 1itf n LYS 49 Ca -0.14 3.54 -0.16 0.00 -0.00 0.00 0.00 58.31 61.55 1itf n LYS 49 Cb 0.44 -4.74 0.02 0.00 0.00 0.00 0.00 35.03 30.75 1itf n LYS 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1itf n ALA 50 N 1.71 -2.59 0.00 3.14 0.00 -1.26 -4.88 120.51 116.63 1itf n ALA 50 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1itf n ALA 50 Cb 0.29 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 -2.75 0.00 -0.11 0.00 -0.58 -1.13 -3.33 120.64 112.75 1itf n GLU 51 Ca -0.11 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.73 1itf n GLU 51 Cb 0.58 -0.03 0.33 0.00 -0.57 0.00 0.00 31.44 31.75 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 -2.50 0.28 -0.25 2.62 5.66 -1.26 -4.31 114.28 114.52 1itf n THR 52 Ca 0.00 -0.42 0.05 0.00 -3.05 0.00 0.00 64.05 60.63 1itf n THR 52 Cb 0.02 0.44 0.18 0.00 -1.55 0.00 0.00 70.33 69.42 1itf n THR 52 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1itf h ILE 53 N 2.52 0.65 -0.10 1.09 2.04 -1.88 0.59 117.51 122.42 1itf h ILE 53 Ca 0.00 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1itf h ILE 53 Cb 0.55 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1itf h ILE 53 CO 0.00 0.08 -0.22 1.55 0.00 0.00 0.00 178.15 179.55 1itf h PRO 54 N 0.42 0.16 -0.11 2.37 0.13 -1.79 0.11 132.00 133.29 1itf h PRO 54 Ca 0.41 -0.05 -0.18 0.00 -0.87 0.00 0.00 66.00 65.31 1itf h PRO 54 Cb 0.62 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.74 1itf h PRO 54 CO -0.41 0.39 -0.65 0.28 -0.23 0.00 0.00 178.00 177.38 1itf h VAL 55 N 0.15 1.33 -0.32 1.56 2.07 -0.83 -2.42 116.25 117.78 1itf h VAL 55 Ca 0.03 -1.92 -0.06 0.00 0.82 0.00 0.00 66.70 65.56 1itf h VAL 55 Cb 0.49 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1itf h VAL 55 CO 0.03 0.59 -0.06 -0.07 0.02 0.00 0.00 177.57 178.09 1itf h LEU 56 N 0.29 0.50 0.12 2.57 3.38 0.39 0.12 115.31 122.67 1itf h LEU 56 Ca -0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1itf h LEU 56 Cb 1.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1itf h LEU 56 CO 0.13 0.61 -0.06 -0.74 0.09 0.00 0.00 178.44 178.48 1itf h HIS 57 N 0.49 -0.14 0.00 1.13 2.76 -0.70 0.88 115.15 119.57 1itf h HIS 57 Ca 0.10 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.21 1itf h HIS 57 Cb 0.41 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1itf h HIS 57 CO 0.01 0.08 -0.29 1.49 -1.30 0.00 0.00 177.93 177.93 1itf h GLU 58 N -0.35 0.00 -0.48 5.26 4.81 -1.26 -1.95 114.58 120.61 1itf h GLU 58 Ca -0.02 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1itf h GLU 58 Cb 0.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1itf h GLU 58 CO 0.03 0.29 -0.15 1.98 -0.73 0.00 0.00 179.01 180.43 1itf h MET 59 N 0.00 0.92 -0.24 1.92 4.05 -0.36 -0.05 114.93 121.18 1itf h MET 59 Ca -0.00 -0.35 -0.07 0.00 -0.28 0.00 0.00 59.70 59.00 1itf h MET 59 Cb 0.64 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1itf h MET 59 CO 0.04 1.00 -0.14 0.82 0.23 0.00 0.00 176.91 178.86 1itf h ILE 60 N 0.82 1.22 -0.33 1.77 1.08 -0.14 -0.42 117.51 121.51 1itf h ILE 60 Ca 0.12 -0.98 -0.16 0.00 -0.39 0.00 0.00 64.86 63.45 1itf h ILE 60 Cb 0.69 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 1itf h ILE 60 CO 0.05 0.31 -0.44 1.56 -0.69 0.00 0.00 178.15 178.94 1itf h GLN 61 N 0.37 0.85 -0.37 2.37 1.08 -0.72 0.31 115.11 119.00 1itf h GLN 61 Ca 0.07 -0.47 -0.08 0.00 -1.45 0.00 0.00 58.65 56.71 1itf h GLN 61 Cb 0.47 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1itf h GLN 61 CO 0.03 1.11 -0.09 1.96 -0.95 0.00 0.00 178.83 180.88 1itf h GLN 62 N 0.68 0.73 0.00 1.46 1.08 -0.54 -1.54 115.11 116.97 1itf h GLN 62 Ca 0.04 -0.28 -0.09 0.00 -1.45 0.00 0.00 58.65 56.87 1itf h GLN 62 Cb 1.02 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 1itf h GLN 62 CO 0.10 0.88 -0.45 0.82 -0.95 0.00 0.00 178.83 179.23 1itf h ILE 63 N 0.53 1.07 -0.36 2.54 2.04 -1.05 -0.45 117.51 121.83 1itf h ILE 63 Ca 0.09 -1.68 -0.04 0.00 1.00 0.00 0.00 64.86 64.24 1itf h ILE 63 Cb 0.61 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1itf h ILE 63 CO 0.04 0.44 0.08 0.15 0.00 0.00 0.00 178.15 178.85 1itf h PHE 64 N 0.00 0.61 0.10 1.37 3.04 0.09 -1.32 116.94 120.82 1itf h PHE 64 Ca -0.00 -0.08 -0.29 0.00 3.98 0.00 0.00 57.97 61.58 1itf h PHE 64 Cb 0.94 -0.17 0.02 0.00 2.56 0.00 0.00 35.95 39.30 1itf h PHE 64 CO 0.00 0.61 -1.20 -0.91 -2.02 0.00 0.00 178.31 174.79 1itf h ASN 65 N 0.43 0.78 -0.31 0.41 -0.26 -1.17 0.29 115.58 115.74 1itf h ASN 65 Ca 0.11 -0.72 0.04 0.00 -0.56 0.00 0.00 56.30 55.17 1itf h ASN 65 Cb 0.32 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1itf h ASN 65 CO 0.00 1.53 0.21 0.25 -1.06 0.00 0.00 177.43 178.36 1itf h LEU 66 N 0.25 0.23 0.00 1.61 5.85 -1.02 -0.87 115.31 121.36 1itf h LEU 66 Ca -0.17 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.37 1itf h LEU 66 Cb 1.87 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.82 1itf h LEU 66 CO 0.22 0.16 -1.97 0.49 -0.34 0.00 0.00 178.44 177.00 1itf n PHE 67 N -4.49 0.28 0.25 1.25 3.01 -0.51 -4.14 117.46 113.12 1itf n PHE 67 Ca 0.03 0.09 0.15 0.00 1.01 0.00 0.00 57.45 58.73 1itf n PHE 67 Cb 0.19 -0.85 0.49 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 -3.42 4.37 0.87 0.17 -3.24 113.55 112.30 1itf h SER 68 Ca -0.24 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.74 1itf h SER 68 Cb 1.61 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 63.71 1itf h SER 68 CO 0.02 0.03 0.24 0.35 -0.53 0.00 0.00 176.83 176.94 1itf n THR 69 N -3.12 3.02 0.28 2.23 -2.24 -0.38 -4.66 114.28 109.40 1itf n THR 69 Ca 0.02 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.43 1itf n THR 69 Cb 0.40 -1.27 0.85 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.23 0.00 -0.22 -0.78 3.64 -1.92 0.24 116.57 118.76 1itf h LYS 70 Ca -0.47 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 1itf h LYS 70 Cb 1.34 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1itf h LYS 70 CO 0.55 0.00 -0.27 -0.44 -2.27 0.00 0.00 179.45 177.02 1itf h ASP 71 N 0.00 0.62 0.63 4.20 5.19 -1.93 -1.98 116.42 123.15 1itf h ASP 71 Ca 0.01 -0.50 -0.18 0.00 -0.62 0.00 0.00 57.03 55.74 1itf h ASP 71 Cb 0.03 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 1itf h ASP 71 CO -0.00 0.99 -0.82 -1.28 -3.12 0.00 0.00 179.24 175.01 1itf h SER 72 N 0.25 0.17 -0.46 6.45 0.87 -1.52 -0.69 113.55 118.63 1itf h SER 72 Ca 0.03 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 1itf h SER 72 Cb 0.84 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1itf h SER 72 CO 0.06 0.92 0.13 0.28 -0.53 0.00 0.00 176.83 177.69 1itf h SER 73 N 0.08 0.73 1.29 6.23 0.02 -0.53 -0.64 113.55 120.74 1itf h SER 73 Ca -0.03 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.67 1itf h SER 73 Cb 1.43 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1itf h SER 73 CO 0.12 0.72 -0.73 0.00 -1.14 0.00 0.00 176.83 175.80 1itf h ALA 74 N 1.38 0.65 -0.03 3.77 0.00 -1.29 -3.26 119.26 120.48 1itf h ALA 74 Ca 0.17 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1itf h ALA 74 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1itf h ALA 74 CO -0.00 0.72 -0.48 0.00 0.00 0.00 0.00 179.25 179.49 1itf h ALA 75 N 1.46 1.15 -1.59 0.00 0.00 -0.16 -3.45 119.26 116.66 1itf h ALA 75 Ca -0.04 -0.44 -0.61 0.00 0.00 0.00 0.00 54.91 53.82 1itf h ALA 75 Cb 1.45 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 1itf h ALA 75 CO 0.06 0.61 -0.59 -1.58 0.00 0.00 0.00 179.25 177.76 1itf s TRP 76 N -3.96 2.34 0.18 0.00 0.52 -0.34 -4.99 118.94 112.70 1itf s TRP 76 Ca -0.03 -0.76 -0.31 0.00 0.02 0.00 0.00 56.10 55.02 1itf s TRP 76 Cb 0.13 -1.66 -0.10 0.00 -1.15 0.00 0.00 33.47 30.69 1itf s TRP 76 CO 0.75 0.33 1.52 -0.51 0.02 0.00 0.00 176.95 179.07 1itf s ASP 77 N -3.69 6.62 0.51 2.95 1.11 -1.26 -4.80 116.67 118.12 1itf s ASP 77 Ca 0.32 2.60 0.25 0.00 0.18 0.00 0.00 52.55 55.91 1itf s ASP 77 Cb 0.09 -2.60 1.40 0.00 1.07 0.00 0.00 42.92 42.87 1itf s ASP 77 CO 0.16 -0.78 2.07 1.05 1.18 0.00 0.00 175.17 178.85 1itf h GLU 78 N 6.37 0.00 0.14 8.23 4.11 -1.96 0.31 114.58 131.77 1itf h GLU 78 Ca -0.43 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.81 1itf h GLU 78 Cb 1.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.48 1itf h GLU 78 CO 0.88 0.12 -0.83 1.15 0.07 0.00 0.00 179.01 180.40 1itf h THR 79 N 0.00 1.50 -0.73 -1.06 2.02 -1.96 0.25 112.91 112.94 1itf h THR 79 Ca -0.00 -2.51 -0.04 0.00 0.77 0.00 0.00 66.41 64.63 1itf h THR 79 Cb 0.32 3.15 -0.03 0.00 -1.74 0.00 0.00 68.15 69.84 1itf h THR 79 CO 0.02 0.71 0.29 -0.07 0.37 0.00 0.00 175.52 176.84 1itf h LEU 80 N -0.32 0.99 -0.68 2.58 3.38 -1.86 -1.23 115.31 118.16 1itf h LEU 80 Ca -0.14 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 1itf h LEU 80 Cb 1.65 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 1itf h LEU 80 CO 0.16 0.88 -0.56 -0.07 0.09 0.00 0.00 178.44 178.93 1itf h LEU 81 N 1.05 0.33 0.02 1.67 3.38 -0.44 -1.73 115.31 119.59 1itf h LEU 81 Ca 0.24 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1itf h LEU 81 Cb 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1itf h LEU 81 CO -0.02 0.82 -0.19 -0.78 0.09 0.00 0.00 178.44 178.36 1itf h ASP 82 N 0.23 -0.55 0.01 -0.43 3.58 0.65 0.48 116.42 120.39 1itf h ASP 82 Ca 0.00 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 1itf h ASP 82 Cb 1.05 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 1itf h ASP 82 CO 0.09 -0.26 -0.10 0.11 -2.88 0.00 0.00 179.24 176.20 1itf h LYS 83 N -0.32 0.21 0.00 0.28 1.57 -1.28 -1.28 116.57 115.76 1itf h LYS 83 Ca 0.05 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1itf h LYS 83 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1itf h LYS 83 CO -0.16 0.33 -0.37 0.35 -0.57 0.00 0.00 179.45 179.02 1itf h PHE 84 N 0.21 0.00 0.04 -1.35 3.57 -0.07 0.13 116.94 119.47 1itf h PHE 84 Ca 0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1itf h PHE 84 Cb 0.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1itf h PHE 84 CO 0.00 0.37 -0.02 1.88 -2.23 0.00 0.00 178.31 178.32 1itf h TYR 85 N 0.00 -0.05 0.00 0.41 0.05 0.98 -1.46 116.97 116.91 1itf h TYR 85 Ca -0.00 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1itf h TYR 85 Cb 0.72 0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.47 1itf h TYR 85 CO 0.00 0.58 -0.16 1.15 -1.05 0.00 0.00 178.16 178.68 1itf h THR 86 N -0.92 1.06 0.02 -2.88 2.02 -1.36 -0.81 112.91 110.03 1itf h THR 86 Ca -0.01 -0.56 -0.21 0.00 0.77 0.00 0.00 66.41 66.40 1itf h THR 86 Cb 0.65 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1itf h THR 86 CO 0.01 0.16 -0.94 -0.08 0.37 0.00 0.00 175.52 175.04 1itf h GLU 87 N 0.00 0.19 -0.27 6.66 4.81 -0.79 -0.63 114.58 124.56 1itf h GLU 87 Ca -0.00 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 58.82 1itf h GLU 87 Cb 0.29 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1itf h GLU 87 CO 0.02 1.00 -0.51 -0.07 -0.73 0.00 0.00 179.01 178.72 1itf h LEU 88 N 0.10 0.84 0.01 1.64 3.38 -0.42 -0.98 115.31 119.87 1itf h LEU 88 Ca -0.05 -0.43 -0.27 0.00 0.09 0.00 0.00 57.88 57.22 1itf h LEU 88 Cb 1.60 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 42.12 1itf h LEU 88 CO 0.14 1.20 -1.12 0.22 0.09 0.00 0.00 178.44 178.97 1itf h TYR 89 N 0.59 0.80 -0.43 1.13 3.20 -1.18 0.43 116.97 121.51 1itf h TYR 89 Ca 0.02 -0.48 -0.12 0.00 3.14 0.00 0.00 58.73 61.29 1itf h TYR 89 Cb 1.09 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1itf h TYR 89 CO 0.06 1.33 -0.20 -0.56 -1.64 0.00 0.00 178.16 177.15 1itf h GLN 90 N 0.24 0.85 -0.01 1.82 3.07 -1.12 0.13 115.11 120.09 1itf h GLN 90 Ca -0.14 -0.33 -0.11 0.00 0.09 0.00 0.00 58.65 58.16 1itf h GLN 90 Cb 1.79 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 29.29 1itf h GLN 90 CO 0.20 0.97 -0.51 0.37 0.09 0.00 0.00 178.83 179.95 1itf h GLN 91 N 0.74 0.02 -0.17 0.06 5.75 -1.19 -2.09 115.11 118.23 1itf h GLN 91 Ca 0.11 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.50 1itf h GLN 91 Cb 0.72 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1itf h GLN 91 CO 0.06 0.53 -0.32 -0.07 -2.65 0.00 0.00 178.83 176.38 1itf h LEU 92 N 0.02 0.35 -0.26 -2.39 3.38 0.01 0.07 115.31 116.49 1itf h LEU 92 Ca -0.00 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.67 1itf h LEU 92 Cb 0.91 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1itf h LEU 92 CO 0.07 0.66 -0.50 -1.13 0.09 0.00 0.00 178.44 177.63 1itf h ASN 93 N 0.30 0.89 -0.44 -0.43 -0.73 -0.19 0.21 115.58 115.19 1itf h ASN 93 Ca 0.04 -0.54 -0.12 0.00 1.87 0.00 0.00 56.30 57.55 1itf h ASN 93 Cb 0.71 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 1itf h ASN 93 CO 0.05 1.26 -0.21 0.44 -0.37 0.00 0.00 177.43 178.61 1itf h ASP 94 N 0.56 0.95 -0.41 1.15 5.19 -1.20 0.10 116.42 122.77 1itf h ASP 94 Ca 0.01 -0.40 -0.07 0.00 -0.62 0.00 0.00 57.03 55.95 1itf h ASP 94 Cb 1.10 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 1itf h ASP 94 CO 0.11 1.14 -0.01 -0.07 -3.12 0.00 0.00 179.24 177.30 1itf h LEU 95 N 0.76 0.77 -0.60 1.55 3.38 -0.94 -2.48 115.31 117.75 1itf h LEU 95 Ca 0.10 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1itf h LEU 95 Cb 0.78 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1itf h LEU 95 CO 0.06 0.84 -0.69 -0.08 0.09 0.00 0.00 178.44 178.67 1itf h GLU 96 N 0.75 0.08 -0.51 1.13 4.81 -0.70 -3.19 114.58 116.95 1itf h GLU 96 Ca 0.14 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1itf h GLU 96 Cb 0.46 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 1itf h GLU 96 CO 0.02 0.74 0.10 0.00 -0.73 0.00 0.00 179.01 179.13 1itf h ALA 97 N 1.24 0.57 -0.55 2.92 0.00 -0.31 0.27 119.26 123.40 1itf h ALA 97 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1itf h ALA 97 Cb 1.22 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1itf h ALA 97 CO 0.10 -0.31 0.34 0.00 0.00 0.00 0.00 179.25 179.38 1itf h VAL 99 N 0.74 1.14 0.14 0.00 2.07 -1.07 -2.35 116.25 116.91 1itf h VAL 99 Ca 0.20 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1itf h VAL 99 Cb -0.04 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1itf h VAL 99 CO -0.04 0.15 -0.15 0.40 0.02 0.00 0.00 177.57 177.95 1itf h ILE 100 N 0.80 0.66 -2.42 4.57 2.04 0.35 -3.43 117.51 120.07 1itf h ILE 100 Ca 0.23 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.97 1itf h ILE 100 Cb -0.05 0.66 0.05 0.00 -0.74 0.00 0.00 36.82 36.75 1itf h ILE 100 CO -0.05 0.00 0.10 0.00 0.00 0.00 0.00 178.15 178.20 1itf n GLN 101 N -5.27 -0.57 -1.23 2.37 3.00 -0.91 -4.89 117.38 109.88 1itf n GLN 101 Ca -0.07 -0.55 -0.20 0.00 -0.01 0.00 0.00 57.00 56.16 1itf n GLN 101 Cb 0.19 -0.39 -0.08 0.00 0.00 0.00 0.00 30.24 29.96 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 2.25 3.82 3.28 1.08 0.00 -1.26 -4.87 105.19 109.48 1itf n GLY 102 Ca 0.05 -1.50 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.15 1.54 0.00 1.61 1.01 -1.08 -4.77 120.40 117.56 1itf s VAL 103 Ca 0.55 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1itf s VAL 103 Cb 0.33 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1itf s VAL 103 CO -0.12 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.26 1itf n GLY 104 N 0.55 2.59 3.36 4.51 0.00 -1.23 -3.35 105.19 111.61 1itf n GLY 104 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1itf n GLY 104 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1itf s VAL 105 N -2.58 0.50 0.00 1.61 -7.23 -1.21 -2.82 120.40 108.67 1itf s VAL 105 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1itf s VAL 105 Cb 0.00 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1itf s VAL 105 CO 0.00 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.14 1itf n THR 106 N -0.58 0.00 -0.25 5.32 -2.24 -1.26 -4.92 114.28 110.35 1itf n THR 106 Ca -0.00 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.00 1itf n THR 106 Cb 0.65 -1.44 0.56 0.00 -2.10 0.00 0.00 70.33 68.01 1itf n THR 106 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1itf h GLU 107 N 0.00 0.30 -3.77 -0.78 4.81 -2.02 -3.40 114.58 109.73 1itf h GLU 107 Ca 0.00 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.93 1itf h GLU 107 Cb 0.00 -0.07 -0.31 0.00 0.63 0.00 0.00 28.75 29.01 1itf h GLU 107 CO 0.00 0.20 -0.73 0.95 -0.73 0.00 0.00 179.01 178.70 1itf s THR 108 N -5.34 0.08 -0.53 0.32 -4.23 -1.26 -5.09 115.64 99.59 1itf s THR 108 Ca -0.08 0.03 -0.27 0.00 -1.18 0.00 0.00 61.69 60.19 1itf s THR 108 Cb 0.23 -0.13 -0.01 0.00 1.34 0.00 0.00 72.50 73.93 1itf s THR 108 CO 0.78 0.06 1.73 -2.16 -0.54 0.00 0.00 174.62 174.50 1itf s PRO 109 N 0.41 2.97 0.00 3.99 0.04 -1.26 -4.68 135.00 136.46 1itf s PRO 109 Ca -0.04 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1itf s PRO 109 Cb -0.06 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1itf s PRO 109 CO -0.01 -2.32 0.00 1.28 0.04 0.00 0.00 177.00 175.99 1itf n LEU 110 N 11.35 2.34 -1.68 -3.56 4.77 -1.26 -4.70 117.00 124.25 1itf n LEU 110 Ca 0.19 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.09 1itf n LEU 110 Cb 0.50 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.78 1itf n LEU 110 CO 0.70 0.38 0.89 1.15 -1.33 0.00 0.00 177.39 179.19 1itf n MET 111 N -2.51 2.63 -0.05 3.23 0.00 -1.26 -4.17 117.12 115.00 1itf n MET 111 Ca 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 57.70 55.55 1itf n MET 111 Cb 0.46 -1.90 -0.15 0.00 0.00 0.00 0.00 33.22 31.63 1itf n MET 111 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1itf n LYS 112 N -0.18 0.67 -0.14 3.17 -0.00 -1.26 -4.32 118.16 116.10 1itf n LYS 112 Ca 0.32 0.02 -0.29 0.00 -0.00 0.00 0.00 58.31 58.36 1itf n LYS 112 Cb 1.14 -1.60 -0.10 0.00 -0.00 0.00 0.00 35.03 34.47 1itf n LYS 112 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1itf n GLU 113 N -2.70 0.59 -0.25 -1.58 2.13 -1.26 -3.88 120.64 113.69 1itf n GLU 113 Ca -0.22 0.29 0.17 0.00 0.66 0.00 0.00 57.16 58.07 1itf n GLU 113 Cb 0.97 -1.52 0.47 0.00 0.27 0.00 0.00 31.44 31.63 1itf n GLU 113 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1itf h ASP 114 N -1.00 0.49 -0.07 4.31 3.04 -1.83 1.09 116.42 122.45 1itf h ASP 114 Ca -0.66 0.04 -0.07 0.00 -3.24 0.00 0.00 57.03 53.11 1itf h ASP 114 Cb 1.57 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.82 1itf h ASP 114 CO -0.40 0.21 -0.22 -1.28 -2.04 0.00 0.00 179.24 175.51 1itf h SER 115 N 0.50 0.31 -0.07 4.15 0.87 -1.78 -1.93 113.55 115.59 1itf h SER 115 Ca 0.46 -0.62 -0.11 0.00 -1.23 0.00 0.00 61.79 60.29 1itf h SER 115 Cb 1.01 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1itf h SER 115 CO -0.19 0.88 -0.29 0.40 -0.53 0.00 0.00 176.83 177.10 1itf h ILE 116 N -0.24 1.28 -0.70 2.23 2.04 -1.41 -2.25 117.51 118.46 1itf h ILE 116 Ca -0.01 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 1itf h ILE 116 Cb 0.85 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1itf h ILE 116 CO 0.05 0.43 0.38 0.25 0.00 0.00 0.00 178.15 179.26 1itf h LEU 117 N 0.46 0.86 -0.14 1.44 6.46 0.12 0.46 115.31 124.97 1itf h LEU 117 Ca 0.06 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1itf h LEU 117 Cb 0.74 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1itf h LEU 117 CO 0.06 0.69 0.03 0.00 -0.62 0.00 0.00 178.44 178.60 1itf h ALA 118 N 1.45 0.19 0.00 1.25 0.00 -0.89 -1.31 119.26 119.95 1itf h ALA 118 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1itf h ALA 118 Cb 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1itf h ALA 118 CO -0.04 -0.16 -0.09 0.28 0.00 0.00 0.00 179.25 179.23 1itf h VAL 119 N 0.02 0.38 -0.07 0.00 2.07 -0.84 -1.29 116.25 116.53 1itf h VAL 119 Ca 0.04 -0.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 1itf h VAL 119 Cb 0.28 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1itf h VAL 119 CO 0.00 0.09 -0.38 0.03 0.02 0.00 0.00 177.57 177.33 1itf h ARG 120 N 0.00 0.38 0.00 1.57 3.08 0.68 0.89 114.38 120.98 1itf h ARG 120 Ca -0.00 -0.32 -0.14 0.00 0.07 0.00 0.00 59.98 59.59 1itf h ARG 120 Cb 0.37 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1itf h ARG 120 CO 0.01 0.96 -0.68 0.87 -1.07 0.00 0.00 179.97 180.06 1itf h LYS 121 N -0.09 0.00 0.02 0.04 1.79 -1.04 0.21 116.57 117.50 1itf h LYS 121 Ca -0.03 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.21 1itf h LYS 121 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1itf h LYS 121 CO 0.08 0.68 -0.98 1.88 -1.08 0.00 0.00 179.45 180.03 1itf h TYR 122 N 0.00 0.58 -0.02 -1.35 0.05 -1.25 -2.28 116.97 112.71 1itf h TYR 122 Ca -0.01 -0.33 -0.15 0.00 0.05 0.00 0.00 58.73 58.29 1itf h TYR 122 Cb 1.24 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.90 1itf h TYR 122 CO 0.00 1.16 -0.70 0.74 -1.05 0.00 0.00 178.16 178.32 1itf h PHE 123 N 0.20 0.12 -0.61 4.88 -1.00 -0.74 -2.27 116.94 117.52 1itf h PHE 123 Ca -0.09 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.63 1itf h PHE 123 Cb 1.63 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 41.14 1itf h PHE 123 CO 0.06 0.75 0.32 0.37 -1.61 0.00 0.00 178.31 178.20 1itf h GLN 124 N 0.06 0.87 -0.73 1.51 4.15 -0.85 -0.01 115.11 120.11 1itf h GLN 124 Ca -0.01 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1itf h GLN 124 Cb 1.23 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.72 1itf h GLN 124 CO 0.10 0.68 0.42 -0.09 -1.93 0.00 0.00 178.83 178.01 1itf h ARG 125 N 0.84 1.01 -0.70 1.69 2.43 -1.21 -1.22 114.38 117.22 1itf h ARG 125 Ca 0.21 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1itf h ARG 125 Cb 0.07 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1itf h ARG 125 CO -0.03 0.73 0.46 0.82 -1.51 0.00 0.00 179.97 180.44 1itf h ILE 126 N 1.00 1.18 -0.44 1.20 2.04 -0.75 0.73 117.51 122.47 1itf h ILE 126 Ca 0.26 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1itf h ILE 126 Cb -0.00 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1itf h ILE 126 CO -0.05 0.17 0.08 0.74 0.00 0.00 0.00 178.15 179.10 1itf h THR 127 N 0.94 1.24 -0.05 -0.27 2.02 0.10 -2.02 112.91 114.88 1itf h THR 127 Ca 0.26 -0.87 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 1itf h THR 127 Cb -0.11 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1itf h THR 127 CO -0.06 0.31 -0.38 -0.07 0.37 0.00 0.00 175.52 175.69 1itf h LEU 128 N 0.58 0.10 -0.82 2.58 -0.00 -0.63 -2.11 115.31 115.02 1itf h LEU 128 Ca 0.13 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 1itf h LEU 128 Cb 0.37 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 40.96 1itf h LEU 128 CO 0.01 0.48 0.41 0.22 -0.00 0.00 0.00 178.44 179.56 1itf h TYR 129 N 0.09 1.18 -0.23 1.13 3.20 -0.40 0.25 116.97 122.18 1itf h TYR 129 Ca 0.01 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 1itf h TYR 129 Cb 0.72 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1itf h TYR 129 CO 0.01 0.85 0.02 -0.07 -1.64 0.00 0.00 178.16 177.32 1itf h LEU 130 N 1.17 0.39 -1.95 2.82 3.38 -0.94 -1.95 115.31 118.22 1itf h LEU 130 Ca 0.28 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1itf h LEU 130 Cb 0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1itf h LEU 130 CO -0.04 0.58 -0.11 0.11 0.09 0.00 0.00 178.44 179.07 1itf h LYS 131 N 0.19 0.00 0.02 1.13 1.57 -0.94 0.72 116.57 119.25 1itf h LYS 131 Ca 0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1itf h LYS 131 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1itf h LYS 131 CO 0.01 0.11 -0.01 1.49 -0.57 0.00 0.00 179.45 180.48 1itf h GLU 132 N 0.00 -0.02 -0.06 3.15 4.81 0.06 -2.88 114.58 119.64 1itf h GLU 132 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1itf h GLU 132 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1itf h GLU 132 CO 0.01 0.50 0.00 1.63 -0.73 0.00 0.00 179.01 180.43 1itf n LYS 133 N -4.84 1.22 -3.46 1.92 4.01 -0.79 -4.89 118.16 111.33 1itf n LYS 133 Ca -0.09 -0.32 -0.21 0.00 -0.51 0.00 0.00 58.31 57.18 1itf n LYS 133 Cb 0.27 -1.28 0.07 0.00 -0.51 0.00 0.00 35.03 33.58 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 -0.43 -7.05 -3.50 1.97 4.76 0.39 -2.72 118.16 111.59 1itf n LYS 134 Ca 0.13 0.76 -0.18 0.00 -2.87 0.00 0.00 58.31 56.14 1itf n LYS 134 Cb 0.13 -5.59 0.07 0.00 -1.84 0.00 0.00 35.03 27.80 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 -4.60 -2.13 -2.63 2.13 4.01 0.22 -4.96 117.16 109.21 1itf n TYR 135 Ca -0.05 0.89 -0.34 0.00 -0.16 0.00 0.00 57.90 58.24 1itf n TYR 135 Cb 0.58 -4.73 -0.05 0.00 -0.31 0.00 0.00 39.34 34.83 1itf n TYR 135 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1itf s SER 136 N -4.24 6.62 0.41 7.72 0.15 -1.10 -4.90 113.70 118.37 1itf s SER 136 Ca 0.06 1.89 0.13 0.00 0.70 0.00 0.00 55.95 58.73 1itf s SER 136 Cb -0.01 -2.56 0.87 0.00 -1.71 0.00 0.00 66.02 62.61 1itf s SER 136 CO 0.76 -0.59 1.93 1.55 1.20 0.00 0.00 173.24 178.09 1itf h PRO 137 N 1.91 0.04 -0.05 5.44 0.13 -1.92 0.23 132.00 137.77 1itf h PRO 137 Ca -0.49 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.47 1itf h PRO 137 Cb 1.21 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1itf h PRO 137 CO 0.60 0.28 -0.57 0.00 -0.23 0.00 0.00 178.00 178.08 1itf h ALA 139 N 0.40 1.36 -0.37 0.00 0.00 -1.81 -1.88 119.26 116.96 1itf h ALA 139 Ca -0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1itf h ALA 139 Cb 1.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1itf h ALA 139 CO 0.11 0.44 -0.15 -1.49 0.00 0.00 0.00 179.25 178.16 1itf h TRP 140 N 0.38 0.75 -0.06 0.00 4.06 -0.50 -1.38 115.95 119.20 1itf h TRP 140 Ca 0.08 -0.14 -0.12 0.00 2.06 0.00 0.00 58.89 60.76 1itf h TRP 140 Cb 0.42 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1itf h TRP 140 CO 0.01 0.79 -0.51 1.49 -3.56 0.00 0.00 178.44 176.66 1itf h GLU 141 N 0.61 0.17 -0.63 0.49 4.81 -0.88 0.42 114.58 119.57 1itf h GLU 141 Ca 0.10 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1itf h GLU 141 Cb 0.60 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1itf h GLU 141 CO 0.04 0.65 0.19 0.28 -0.73 0.00 0.00 179.01 179.44 1itf h VAL 142 N 0.14 1.25 0.00 0.32 2.07 -0.84 -0.44 116.25 118.75 1itf h VAL 142 Ca 0.00 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 1itf h VAL 142 Cb 0.96 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1itf h VAL 142 CO 0.08 0.33 -0.32 0.58 0.02 0.00 0.00 177.57 178.25 1itf h VAL 143 N 0.91 0.69 -0.11 2.57 2.07 -0.84 -1.52 116.25 120.03 1itf h VAL 143 Ca 0.20 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 1itf h VAL 143 Cb 0.30 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1itf h VAL 143 CO -0.01 0.32 -0.06 -0.09 0.02 0.00 0.00 177.57 177.76 1itf h ARG 144 N 0.00 0.23 -0.11 1.57 2.43 0.84 0.33 114.38 119.67 1itf h ARG 144 Ca -0.00 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 1itf h ARG 144 Cb 0.95 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1itf h ARG 144 CO 0.04 0.58 -0.36 0.00 -1.51 0.00 0.00 179.97 178.73 1itf h ALA 145 N 0.64 1.20 -0.01 2.80 0.00 -1.07 -0.23 119.26 122.59 1itf h ALA 145 Ca 0.02 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1itf h ALA 145 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1itf h ALA 145 CO 0.02 0.54 -0.70 0.93 0.00 0.00 0.00 179.25 180.03 1itf h GLU 146 N 0.19 0.08 0.08 0.00 4.39 -1.07 0.28 114.58 118.52 1itf h GLU 146 Ca 0.02 -0.06 -0.25 0.00 0.34 0.00 0.00 59.36 59.41 1itf h GLU 146 Cb 0.73 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1itf h GLU 146 CO 0.06 0.75 -1.11 0.82 -1.16 0.00 0.00 179.01 178.36 1itf h ILE 147 N 0.05 1.49 -0.06 3.13 1.08 0.05 -0.10 117.51 123.16 1itf h ILE 147 Ca -0.01 -2.89 -0.23 0.00 -0.39 0.00 0.00 64.86 61.34 1itf h ILE 147 Cb 1.25 2.76 0.01 0.00 -3.07 0.00 0.00 36.82 37.77 1itf h ILE 147 CO 0.10 0.85 -0.87 -0.03 -0.69 0.00 0.00 178.15 177.50 1itf h MET 148 N 0.11 0.58 -0.12 2.37 4.05 -1.00 0.19 114.93 121.10 1itf h MET 148 Ca -0.10 -0.54 -0.15 0.00 -0.28 0.00 0.00 59.70 58.62 1itf h MET 148 Cb 1.81 0.14 0.01 0.00 -0.80 0.00 0.00 31.60 32.75 1itf h MET 148 CO 0.18 1.17 -0.51 -0.09 0.23 0.00 0.00 176.91 177.88 1itf h ARG 149 N 0.36 0.57 -0.62 0.39 1.12 -0.98 -0.05 114.38 115.17 1itf h ARG 149 Ca -0.07 -0.44 -0.08 0.00 -1.11 0.00 0.00 59.98 58.27 1itf h ARG 149 Cb 1.50 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 31.52 1itf h ARG 149 CO 0.16 1.07 0.06 0.77 -3.11 0.00 0.00 179.97 178.93 1itf h SER 150 N 0.19 1.02 -0.58 -3.80 0.02 -1.05 0.81 113.55 110.16 1itf h SER 150 Ca -0.03 -0.28 -0.11 0.00 -0.84 0.00 0.00 61.79 60.54 1itf h SER 150 Cb 1.15 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1itf h SER 150 CO 0.11 1.04 -0.05 0.15 -1.14 0.00 0.00 176.83 176.94 1itf h PHE 151 N 0.96 1.17 -0.51 3.45 3.57 -0.93 -0.34 116.94 124.30 1itf h PHE 151 Ca 0.18 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 1itf h PHE 151 Cb 0.48 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1itf h PHE 151 CO 0.04 1.05 0.02 0.77 -2.23 0.00 0.00 178.31 177.95 1itf h SER 152 N 0.95 0.82 -0.70 0.41 0.02 -0.70 0.78 113.55 115.12 1itf h SER 152 Ca 0.16 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1itf h SER 152 Cb 0.62 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1itf h SER 152 CO 0.04 0.87 0.19 -0.07 -1.14 0.00 0.00 176.83 176.72 1itf h LEU 153 N 0.79 1.05 -0.91 5.07 3.38 -0.41 0.70 115.31 124.99 1itf h LEU 153 Ca 0.15 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1itf h LEU 153 Cb 0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1itf h LEU 153 CO 0.02 1.00 -0.36 0.28 0.09 0.00 0.00 178.44 179.47 1itf h SER 154 N 1.05 0.00 -0.17 -0.43 0.02 -0.57 -2.94 113.55 110.52 1itf h SER 154 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 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 -0.00 0.36 0.00 0.35 -1.14 0.00 0.00 176.83 176.40 1itf n THR 155 N -3.50 0.21 1.67 -2.27 -2.24 0.22 -4.29 114.28 104.08 1itf n THR 155 Ca -0.00 -0.61 0.09 0.00 -2.27 0.00 0.00 64.05 61.26 1itf n THR 155 Cb 0.51 1.25 0.55 0.00 -2.10 0.00 0.00 70.33 70.54 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 1.28 0.00 0.30 3.42 3.02 0.24 -3.94 115.26 119.58 1itf n ASN 156 Ca 0.15 -1.09 0.11 0.00 -0.03 0.00 0.00 54.58 53.72 1itf n ASN 156 Cb 0.56 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 40.32 1itf n ASN 156 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1itf h LEU 157 N 0.00 0.00 -1.98 3.41 -0.00 -1.77 -1.17 115.31 113.81 1itf h LEU 157 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.88 58.02 1itf h LEU 157 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 1itf h LEU 157 CO 0.00 0.00 0.46 0.06 -0.00 0.00 0.00 178.44 178.96 1itf h GLN 158 N 0.00 0.00 -2.33 1.13 3.07 -1.96 -3.40 115.11 111.62 1itf h GLN 158 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 1itf h GLN 158 Cb 0.86 0.00 -0.24 0.00 0.08 0.00 0.00 27.48 28.18 1itf h GLN 158 CO 0.00 0.00 -0.16 -1.83 0.09 0.00 0.00 178.83 176.93 1itf s GLU 159 N -4.71 0.53 -0.29 0.06 1.03 -0.44 -5.12 118.70 109.75 1itf s GLU 159 Ca -0.04 1.02 0.04 0.00 0.03 0.00 0.00 54.97 56.01 1itf s GLU 159 Cb 0.17 0.11 0.18 0.00 -0.80 0.00 0.00 34.13 33.79 1itf s GLU 159 CO 0.60 -0.16 0.51 -1.54 -1.33 0.00 0.00 175.26 173.34 1itf s SER 160 N 1.65 -0.77 0.97 0.83 1.04 -1.26 -4.97 113.70 111.19 1itf s SER 160 Ca -0.09 0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 1itf s SER 160 Cb -0.07 1.65 0.19 0.00 0.10 0.00 0.00 66.02 67.89 1itf s SER 160 CO -0.16 -0.32 1.15 0.18 0.98 0.00 0.00 173.24 175.07 1itf n LEU 161 N 5.39 0.00 -3.02 2.42 4.77 -1.26 -4.99 117.00 120.32 1itf n LEU 161 Ca 0.03 -1.36 -0.10 0.00 -0.03 0.00 0.00 56.01 54.54 1itf n LEU 161 Cb 0.52 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 1itf n LEU 161 CO -0.03 -1.29 -0.02 0.00 -1.33 0.00 0.00 177.39 174.72 1itf s ARG 162 N -5.49 0.97 -0.04 3.23 1.70 -1.26 -5.00 118.95 113.06 1itf s ARG 162 Ca 0.66 -1.22 -0.24 0.00 -0.47 0.00 0.00 55.73 54.46 1itf s ARG 162 Cb -0.02 -0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 33.89 1itf s ARG 162 CO 0.46 -1.32 0.72 -1.54 -1.08 0.00 0.00 175.30 172.54 1itf s SER 163 N 0.82 7.04 -0.39 -2.89 1.04 -1.26 -5.01 113.70 113.05 1itf s SER 163 Ca 0.28 1.25 0.03 0.00 0.48 0.00 0.00 55.95 57.99 1itf s SER 163 Cb -0.01 -2.43 0.16 0.00 0.10 0.00 0.00 66.02 63.84 1itf s SER 163 CO -0.09 -0.08 0.31 -0.54 0.98 0.00 0.00 173.24 173.82 1itf s LYS 164 N 0.59 0.76 0.00 4.02 1.02 -1.26 -5.35 119.74 119.52 1itf s LYS 164 Ca 0.38 -1.68 0.23 0.00 0.02 0.00 0.00 55.97 54.92 1itf s LYS 164 Cb -0.18 -1.25 1.39 0.00 -0.52 0.00 0.00 37.83 37.26 1itf s LYS 164 CO 0.19 -1.31 1.76 0.39 -0.92 0.00 0.00 175.35 175.47