#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 -0.08 0.04 0.00 8.00 -1.26 -4.85 116.55 118.40 1itf n ASP 2 Ca 0.00 -2.53 -0.12 0.00 0.71 0.00 0.00 54.79 52.85 1itf n ASP 2 Cb 0.00 -0.59 -0.09 0.00 -0.02 0.00 0.00 41.12 40.42 1itf n ASP 2 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1itf h LEU 3 N 5.00 -0.14 -9.12 0.64 3.38 -2.04 -3.42 115.31 109.61 1itf h LEU 3 Ca 0.19 -0.40 -0.58 0.00 0.09 0.00 0.00 57.88 57.18 1itf h LEU 3 Cb 0.89 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 1itf h LEU 3 CO 0.42 0.38 0.61 -2.16 0.09 0.00 0.00 178.44 177.79 1itf s PRO 4 N -3.82 4.28 -0.78 1.13 0.04 -1.26 -5.00 135.00 129.60 1itf s PRO 4 Ca -0.14 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.14 1itf s PRO 4 Cb 0.01 -3.61 0.20 0.00 0.04 0.00 0.00 34.50 31.14 1itf s PRO 4 CO 0.56 -0.49 0.66 0.00 0.04 0.00 0.00 177.00 177.77 1itf n GLN 5 N 5.80 2.28 -0.07 4.56 10.64 -1.26 -4.88 117.38 134.45 1itf n GLN 5 Ca 0.09 -4.52 -0.04 0.00 -1.83 0.00 0.00 57.00 50.70 1itf n GLN 5 Cb 0.47 -2.34 -0.01 0.00 -0.86 0.00 0.00 30.24 27.50 1itf n GLN 5 CO 0.00 0.00 0.00 1.79 -1.83 0.00 0.00 177.06 177.02 1itf h THR 6 N 4.08 0.00 -5.02 -0.39 1.35 -1.99 -3.49 112.91 107.46 1itf h THR 6 Ca 0.16 -0.98 -0.63 0.00 -0.55 0.00 0.00 66.41 64.41 1itf h THR 6 Cb 0.76 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 67.05 1itf h THR 6 CO 0.80 0.00 -0.47 1.41 -0.25 0.00 0.00 175.52 177.01 1itf n HIS 7 N -4.58 0.98 -3.64 4.73 8.25 -1.26 -5.16 115.22 114.53 1itf n HIS 7 Ca -0.07 -2.48 -0.06 0.00 -0.26 0.00 0.00 57.72 54.86 1itf n HIS 7 Cb 0.25 -0.27 -0.07 0.00 1.12 0.00 0.00 29.99 31.02 1itf n HIS 7 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1itf s SER 8 N -3.69 -0.27 -0.30 0.41 0.15 -1.26 -5.07 113.70 103.67 1itf s SER 8 Ca 0.04 0.51 0.13 0.00 0.70 0.00 0.00 55.95 57.32 1itf s SER 8 Cb 0.00 0.56 0.38 0.00 -1.71 0.00 0.00 66.02 65.26 1itf s SER 8 CO 0.02 -0.09 1.45 -0.11 1.20 0.00 0.00 173.24 175.72 1itf n LEU 9 N 2.04 -1.11 -0.04 3.45 0.00 -1.26 -4.91 117.00 115.18 1itf n LEU 9 Ca -0.12 -3.08 -0.05 0.00 0.00 0.00 0.00 56.01 52.76 1itf n LEU 9 Cb 0.56 0.12 -0.02 0.00 0.00 0.00 0.00 43.42 44.09 1itf n LEU 9 CO 0.02 1.62 -0.40 0.61 0.00 0.00 0.00 177.39 179.24 1itf n GLY 10 N -1.31 -0.37 0.30 -3.96 0.00 -1.26 -3.75 105.19 94.84 1itf n GLY 10 Ca -0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 1itf n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1itf h SER 11 N -0.59 0.74 -0.24 1.61 4.64 -1.94 -0.10 113.55 117.68 1itf h SER 11 Ca 0.00 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.04 1itf h SER 11 Cb 0.59 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1itf h SER 11 CO 0.00 0.73 -0.39 0.03 -0.87 0.00 0.00 176.83 176.33 1itf h ARG 12 N 0.77 0.78 -0.00 4.77 3.08 -1.91 -2.06 114.38 119.80 1itf h ARG 12 Ca 0.17 -0.40 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 1itf h ARG 12 Cb 0.29 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1itf h ARG 12 CO -0.00 1.03 -0.46 -0.09 -1.07 0.00 0.00 179.97 179.38 1itf h ARG 13 N 0.64 0.01 -0.45 0.04 2.43 -1.52 -1.04 114.38 114.49 1itf h ARG 13 Ca 0.05 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 1itf h ARG 13 Cb 0.94 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1itf h ARG 13 CO 0.09 0.47 -0.27 1.15 -1.51 0.00 0.00 179.97 179.89 1itf h THR 14 N 0.01 1.27 -0.30 0.20 2.02 -0.74 -1.85 112.91 113.52 1itf h THR 14 Ca -0.00 -1.45 -0.16 0.00 0.77 0.00 0.00 66.41 65.57 1itf h THR 14 Cb 0.82 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1itf h THR 14 CO 0.06 0.49 -0.43 -0.07 0.37 0.00 0.00 175.52 175.94 1itf h LEU 15 N 0.84 0.90 -1.52 2.58 3.38 -1.08 -2.42 115.31 117.98 1itf h LEU 15 Ca 0.09 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1itf h LEU 15 Cb 0.86 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1itf h LEU 15 CO 0.08 1.23 -0.14 0.00 0.09 0.00 0.00 178.44 179.70 1itf h MET 16 N 0.60 0.14 -0.29 1.13 -0.00 -1.14 -1.62 114.93 113.74 1itf h MET 16 Ca 0.03 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.69 1itf h MET 16 Cb 1.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.60 1itf h MET 16 CO 0.10 0.28 0.11 -0.07 -0.00 0.00 0.00 176.91 177.34 1itf h LEU 17 N 0.14 0.40 -1.52 -0.10 3.38 -1.08 -0.77 115.31 115.77 1itf h LEU 17 Ca 0.03 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1itf h LEU 17 Cb 0.33 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1itf h LEU 17 CO 0.02 0.46 0.41 -0.07 0.09 0.00 0.00 178.44 179.35 1itf h LEU 18 N 0.32 0.52 -0.28 1.67 3.38 -0.83 0.61 115.31 120.69 1itf h LEU 18 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1itf h LEU 18 Cb 0.18 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1itf h LEU 18 CO -0.01 0.33 -0.30 0.00 0.09 0.00 0.00 178.44 178.55 1itf h ALA 19 N 1.67 0.42 -0.21 1.53 0.00 -0.69 -2.73 119.26 119.24 1itf h ALA 19 Ca 0.27 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1itf h ALA 19 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1itf h ALA 19 CO -0.08 0.44 -0.21 1.96 0.00 0.00 0.00 179.25 181.36 1itf h GLN 20 N 0.44 0.37 0.00 0.00 4.20 -0.09 -2.37 115.11 117.66 1itf h GLN 20 Ca 0.04 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1itf h GLN 20 Cb 0.88 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1itf h GLN 20 CO 0.07 0.57 -0.35 0.52 -0.67 0.00 0.00 178.83 178.97 1itf h MET 21 N 0.34 0.00 -5.98 1.46 2.86 -0.81 -3.42 114.93 109.37 1itf h MET 21 Ca 0.06 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 57.04 1itf h MET 21 Cb 0.56 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1itf h MET 21 CO 0.04 0.35 1.43 -2.13 1.06 0.00 0.00 176.91 177.66 1itf n ARG 22 N -4.12 1.19 -0.10 1.72 0.63 -0.89 -4.74 116.66 110.35 1itf n ARG 22 Ca -0.02 0.32 -0.15 0.00 -0.92 0.00 0.00 57.85 57.09 1itf n ARG 22 Cb 0.39 -2.57 -0.14 0.00 0.45 0.00 0.00 32.46 30.59 1itf n ARG 22 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1itf n LYS 23 N 8.28 0.67 -3.52 -0.14 0.00 -1.26 -4.98 118.16 117.21 1itf n LYS 23 Ca 0.40 0.11 -0.21 0.00 -0.00 0.00 0.00 58.31 58.60 1itf n LYS 23 Cb 0.26 -1.55 -0.01 0.00 -0.00 0.00 0.00 35.03 33.73 1itf n LYS 23 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1itf s ILE 24 N -2.52 2.45 0.06 0.58 -4.36 -1.26 -5.12 121.20 111.03 1itf s ILE 24 Ca -0.23 -1.31 -0.04 0.00 -0.26 0.00 0.00 60.65 58.82 1itf s ILE 24 Cb 0.08 -2.76 -0.05 0.00 1.25 0.00 0.00 42.46 40.98 1itf s ILE 24 CO 0.71 0.00 0.27 -0.94 0.24 0.00 0.00 174.94 175.22 1itf s SER 25 N -4.23 6.44 0.34 4.36 1.04 -1.26 -4.98 113.70 115.41 1itf s SER 25 Ca 0.48 0.46 0.07 0.00 0.48 0.00 0.00 55.95 57.43 1itf s SER 25 Cb -0.04 -2.04 0.63 0.00 0.10 0.00 0.00 66.02 64.67 1itf s SER 25 CO 0.28 0.17 1.84 0.25 0.98 0.00 0.00 173.24 176.77 1itf h LEU 26 N 3.38 0.31 -0.59 2.42 5.85 -1.93 -1.07 115.31 123.67 1itf h LEU 26 Ca -0.47 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.05 1itf h LEU 26 Cb 1.18 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1itf h LEU 26 CO 0.71 0.51 -0.13 -0.26 -0.34 0.00 0.00 178.44 178.94 1itf h PHE 27 N 0.30 1.10 0.00 1.25 0.04 -2.00 -1.59 116.94 116.04 1itf h PHE 27 Ca 0.06 -0.23 -0.03 0.00 2.80 0.00 0.00 57.97 60.56 1itf h PHE 27 Cb 0.49 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1itf h PHE 27 CO 0.01 1.04 -0.15 0.77 -0.60 0.00 0.00 178.31 179.38 1itf h SER 28 N 0.87 0.00 -1.93 2.17 0.02 -1.73 -2.99 113.55 109.96 1itf h SER 28 Ca 0.13 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.43 1itf h SER 28 Cb 0.68 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.85 1itf h SER 28 CO 0.05 0.15 -0.15 0.00 -1.14 0.00 0.00 176.83 175.74 1itf n LEU 30 N -0.37 0.67 0.08 0.00 4.77 -0.99 -3.35 117.00 117.81 1itf n LEU 30 Ca 0.40 -0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1itf n LEU 30 Cb 0.45 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1itf n LEU 30 CO 0.39 0.13 0.22 0.50 -1.33 0.00 0.00 177.39 177.30 1itf h LYS 31 N 0.93 0.00 -0.48 3.23 3.64 -1.88 -3.22 116.57 118.79 1itf h LYS 31 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1itf h LYS 31 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1itf h LYS 31 CO 0.00 0.84 0.00 -0.25 -2.27 0.00 0.00 179.45 177.77 1itf n ASP 32 N -3.30 4.32 -4.60 4.20 9.92 -1.21 -4.95 116.55 120.92 1itf n ASP 32 Ca 0.00 -2.59 -0.42 0.00 -0.53 0.00 0.00 54.79 51.25 1itf n ASP 32 Cb 0.88 -0.52 -0.03 0.00 -0.64 0.00 0.00 41.12 40.81 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 -2.08 3.18 -0.14 -1.24 3.00 -1.22 -4.82 118.95 115.62 1itf s ARG 33 Ca 0.44 1.58 -0.06 0.00 -1.00 0.00 0.00 55.73 56.69 1itf s ARG 33 Cb 0.31 -4.28 0.06 0.00 0.00 0.00 0.00 34.95 31.04 1itf s ARG 33 CO 0.18 -2.04 0.31 -1.01 0.00 0.00 0.00 175.30 172.73 1itf s HIS 34 N 7.69 -0.49 -0.07 5.12 3.76 -1.26 -5.11 115.29 124.93 1itf s HIS 34 Ca 0.87 1.07 -0.28 0.00 -0.15 0.00 0.00 55.06 56.57 1itf s HIS 34 Cb -0.25 0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.51 1itf s HIS 34 CO 0.33 -0.34 0.93 0.34 -0.85 0.00 0.00 174.74 175.14 1itf s ASP 35 N 2.00 7.22 -0.15 1.40 2.15 -1.26 -4.95 116.67 123.07 1itf s ASP 35 Ca -0.04 1.48 -0.27 0.00 0.43 0.00 0.00 52.55 54.16 1itf s ASP 35 Cb -0.11 -2.53 -0.25 0.00 -0.30 0.00 0.00 42.92 39.74 1itf s ASP 35 CO -0.10 -0.32 0.63 -0.26 -0.17 0.00 0.00 175.17 174.96 1itf h PHE 36 N 6.96 0.04 0.00 -5.34 0.04 -1.99 -3.50 116.94 113.15 1itf h PHE 36 Ca -0.36 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.38 1itf h PHE 36 Cb 1.18 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1itf h PHE 36 CO 0.69 1.15 0.00 0.41 -0.60 0.00 0.00 178.31 179.96 1itf n GLY 37 N 1.57 0.69 3.72 -1.45 0.00 -1.26 -5.08 105.19 103.38 1itf n GLY 37 Ca -0.16 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.26 3.11 -1.18 1.61 5.36 -1.26 -4.88 117.98 120.48 1itf s PHE 38 Ca 0.00 0.73 -0.18 0.00 -0.96 0.00 0.00 56.93 56.52 1itf s PHE 38 Cb 0.00 -3.85 -0.03 0.00 -0.34 0.00 0.00 43.02 38.79 1itf s PHE 38 CO 0.00 -3.10 2.00 -0.35 -1.46 0.00 0.00 175.22 172.31 1itf n PRO 39 N 3.91 2.34 0.20 10.12 -0.04 -1.26 -4.62 135.00 145.64 1itf n PRO 39 Ca 0.13 -2.49 0.12 0.00 -0.04 0.00 0.00 63.50 61.22 1itf n PRO 39 Cb 0.40 -3.28 0.23 0.00 -0.04 0.00 0.00 33.50 30.80 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 7.40 0.00 -0.09 0.54 4.15 -1.96 -3.11 115.11 122.04 1itf h GLN 40 Ca 0.45 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.90 1itf h GLN 40 Cb 0.74 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.42 1itf h GLN 40 CO 1.73 0.00 0.07 0.93 -1.93 0.00 0.00 178.83 179.63 1itf h GLU 41 N 0.00 0.00 -0.71 1.69 5.08 -2.01 0.49 114.58 119.12 1itf h GLU 41 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1itf h GLU 41 Cb 0.93 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1itf h GLU 41 CO 0.00 0.00 0.01 -1.91 -1.00 0.00 0.00 179.01 176.11 1itf n GLU 42 N -4.37 3.71 -0.32 2.33 4.07 -1.17 -3.87 120.64 121.01 1itf n GLU 42 Ca -0.01 -2.20 0.02 0.00 -0.06 0.00 0.00 57.16 54.91 1itf n GLU 42 Cb 0.18 -2.04 0.03 0.00 -0.06 0.00 0.00 31.44 29.55 1itf n GLU 42 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1itf n PHE 43 N 0.42 0.00 0.00 4.31 3.01 0.17 -4.83 117.46 120.54 1itf n PHE 43 Ca 0.20 -0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1itf n PHE 43 Cb 0.92 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 40.33 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 -0.28 0.60 3.80 1.37 0.00 -1.09 -4.79 105.19 104.80 1itf n GLY 44 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1itf n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1itf s ASN 45 N 0.40 6.22 -0.97 1.61 0.01 -1.26 -2.77 114.94 118.19 1itf s ASN 45 Ca 0.00 1.92 0.00 0.00 -0.71 0.00 0.00 52.86 54.07 1itf s ASN 45 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1itf s ASN 45 CO 0.00 -0.87 0.00 1.67 -1.51 0.00 0.00 177.10 176.39 1itf n GLN 46 N -1.16 -1.08 -3.06 -0.60 7.27 -1.26 -4.88 117.38 112.62 1itf n GLN 46 Ca 0.09 0.76 -0.18 0.00 0.07 0.00 0.00 57.00 57.74 1itf n GLN 46 Cb 0.52 -4.81 -0.02 0.00 2.41 0.00 0.00 30.24 28.34 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 -2.51 -1.13 -3.73 3.69 3.72 -1.11 -4.88 117.46 111.51 1itf n PHE 47 Ca -0.09 -3.10 -0.09 0.00 -0.05 0.00 0.00 57.45 54.12 1itf n PHE 47 Cb 0.41 0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 39.14 1itf n PHE 47 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1itf s GLN 48 N -0.89 1.54 -0.88 -1.08 0.00 -1.26 -4.52 119.66 112.57 1itf s GLN 48 Ca 0.34 -0.85 -0.03 0.00 -0.00 0.00 0.00 55.36 54.82 1itf s GLN 48 Cb 0.23 0.57 -0.04 0.00 0.00 0.00 0.00 33.01 33.77 1itf s GLN 48 CO -0.13 -0.68 0.76 1.63 0.00 0.00 0.00 175.29 176.87 1itf n LYS 49 N -0.40 -2.84 -3.23 9.60 5.02 -1.26 -3.70 118.16 121.35 1itf n LYS 49 Ca -0.09 0.70 -0.15 0.00 -2.02 0.00 0.00 58.31 56.76 1itf n LYS 49 Cb 0.62 -5.07 0.07 0.00 -0.02 0.00 0.00 35.03 30.62 1itf n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1itf n ALA 50 N -3.08 -2.35 0.00 7.82 0.00 -1.26 -4.87 120.51 116.77 1itf n ALA 50 Ca -0.11 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1itf n ALA 50 Cb 0.61 -5.07 0.00 0.00 0.00 0.00 0.00 19.45 14.98 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 -3.33 0.00 -0.00 0.00 -0.58 -1.24 -3.04 120.64 112.45 1itf n GLU 51 Ca -0.11 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.78 1itf n GLU 51 Cb 0.62 -0.62 0.81 0.00 -0.57 0.00 0.00 31.44 31.68 1itf n GLU 51 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1itf n THR 52 N -2.13 0.01 -0.23 2.62 -1.04 -1.26 -4.17 114.28 108.08 1itf n THR 52 Ca 0.00 -0.05 0.03 0.00 -2.04 0.00 0.00 64.05 61.99 1itf n THR 52 Cb 0.23 -0.28 0.14 0.00 -1.82 0.00 0.00 70.33 68.60 1itf n THR 52 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1itf h ILE 53 N 0.46 0.53 -0.40 12.58 2.04 -1.85 0.42 117.51 131.27 1itf h ILE 53 Ca 0.00 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 1itf h ILE 53 Cb 0.10 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1itf h ILE 53 CO 0.00 0.04 -0.03 1.55 0.00 0.00 0.00 178.15 179.71 1itf h PRO 54 N 0.22 0.66 -0.44 2.37 0.13 -1.83 0.16 132.00 133.27 1itf h PRO 54 Ca 0.37 -0.17 -0.15 0.00 -0.87 0.00 0.00 66.00 65.18 1itf h PRO 54 Cb 0.61 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1itf h PRO 54 CO -0.50 0.71 -0.30 0.28 -0.23 0.00 0.00 178.00 177.96 1itf h VAL 55 N 0.62 1.27 -0.36 1.56 2.07 -1.22 -2.41 116.25 117.78 1itf h VAL 55 Ca 0.12 -1.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 1itf h VAL 55 Cb 0.44 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1itf h VAL 55 CO 0.02 0.50 -0.10 -0.07 0.02 0.00 0.00 177.57 177.94 1itf h LEU 56 N 0.82 0.61 -0.12 2.57 3.38 0.20 -0.40 115.31 122.36 1itf h LEU 56 Ca 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1itf h LEU 56 Cb 0.89 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1itf h LEU 56 CO 0.08 0.74 0.08 -0.74 0.09 0.00 0.00 178.44 178.69 1itf h HIS 57 N 0.57 0.15 0.00 1.13 2.76 -0.35 0.17 115.15 119.58 1itf h HIS 57 Ca 0.10 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1itf h HIS 57 Cb 0.51 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 1itf h HIS 57 CO 0.02 0.09 -0.23 0.93 -1.30 0.00 0.00 177.93 177.45 1itf h GLU 58 N 0.16 0.00 -0.33 5.26 4.39 -1.26 -1.61 114.58 121.18 1itf h GLU 58 Ca 0.04 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 1itf h GLU 58 Cb -0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1itf h GLU 58 CO -0.01 0.23 -0.28 1.98 -1.16 0.00 0.00 179.01 179.77 1itf h MET 59 N 0.00 0.68 0.00 2.33 1.85 0.19 -0.25 114.93 119.73 1itf h MET 59 Ca -0.00 -0.29 -0.13 0.00 -0.61 0.00 0.00 59.70 58.66 1itf h MET 59 Cb 0.71 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.70 1itf h MET 59 CO 0.03 0.89 -0.63 0.82 -0.40 0.00 0.00 176.91 177.61 1itf h ILE 60 N 0.59 1.26 -0.13 1.77 1.08 -0.18 -1.42 117.51 120.47 1itf h ILE 60 Ca 0.07 -2.32 -0.19 0.00 -0.39 0.00 0.00 64.86 62.04 1itf h ILE 60 Cb 0.78 2.32 -0.00 0.00 -3.07 0.00 0.00 36.82 36.85 1itf h ILE 60 CO 0.06 0.62 -0.69 1.56 -0.69 0.00 0.00 178.15 179.01 1itf h GLN 61 N 0.00 0.56 -0.10 2.37 1.08 -0.90 0.14 115.11 118.26 1itf h GLN 61 Ca -0.01 -0.43 -0.23 0.00 -1.45 0.00 0.00 58.65 56.54 1itf h GLN 61 Cb 1.27 0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.79 1itf h GLN 61 CO 0.08 1.05 -0.84 1.96 -0.95 0.00 0.00 178.83 180.13 1itf h GLN 62 N 0.40 0.69 -0.12 1.46 4.20 -0.96 -2.35 115.11 118.44 1itf h GLN 62 Ca -0.02 -0.61 -0.18 0.00 0.06 0.00 0.00 58.65 57.89 1itf h GLN 62 Cb 1.27 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 29.19 1itf h GLN 62 CO 0.13 1.22 -0.69 0.82 -0.67 0.00 0.00 178.83 179.64 1itf h ILE 63 N 0.45 1.35 -0.73 2.54 2.04 -1.27 0.09 117.51 121.99 1itf h ILE 63 Ca -0.07 -2.02 0.01 0.00 1.00 0.00 0.00 64.86 63.78 1itf h ILE 63 Cb 1.47 2.00 -0.04 0.00 -0.74 0.00 0.00 36.82 39.51 1itf h ILE 63 CO 0.17 0.62 0.48 0.15 0.00 0.00 0.00 178.15 179.56 1itf h PHE 64 N 0.35 0.91 0.24 1.37 3.04 -0.68 -0.62 116.94 121.55 1itf h PHE 64 Ca -0.02 0.02 -0.33 0.00 3.98 0.00 0.00 57.97 61.62 1itf h PHE 64 Cb 1.26 -0.31 0.03 0.00 2.56 0.00 0.00 35.95 39.50 1itf h PHE 64 CO 0.05 0.57 -1.47 -0.97 -2.02 0.00 0.00 178.31 174.47 1itf h ASN 65 N 0.98 0.80 -0.31 0.41 -0.73 -1.37 0.15 115.58 115.50 1itf h ASN 65 Ca 0.27 -0.86 0.04 0.00 1.87 0.00 0.00 56.30 57.62 1itf h ASN 65 Cb -0.10 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.21 1itf h ASN 65 CO -0.06 1.68 0.21 0.25 -0.37 0.00 0.00 177.43 179.13 1itf h LEU 66 N 0.14 0.22 0.02 0.34 5.85 -0.79 -0.88 115.31 120.21 1itf h LEU 66 Ca -0.25 -0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.14 1itf h LEU 66 Cb 2.15 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 43.08 1itf h LEU 66 CO 0.27 0.15 -2.00 0.49 -0.34 0.00 0.00 178.44 177.01 1itf n PHE 67 N -4.49 0.67 0.25 1.25 3.01 -0.26 -4.08 117.46 113.82 1itf n PHE 67 Ca 0.03 0.22 0.11 0.00 1.01 0.00 0.00 57.45 58.82 1itf n PHE 67 Cb 0.20 -1.12 0.66 0.00 -0.01 0.00 0.00 39.48 39.22 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 0.01 0.00 -3.34 4.37 0.87 -0.15 -3.16 113.55 112.15 1itf h SER 68 Ca -0.40 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.58 1itf h SER 68 Cb 2.08 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 64.18 1itf h SER 68 CO 0.05 0.15 0.18 0.35 -0.53 0.00 0.00 176.83 177.04 1itf n THR 69 N -3.68 2.93 0.31 2.23 -2.24 -0.39 -4.64 114.28 108.80 1itf n THR 69 Ca -0.02 -0.50 0.18 0.00 -2.27 0.00 0.00 64.05 61.45 1itf n THR 69 Cb 0.27 -1.21 0.99 0.00 -2.10 0.00 0.00 70.33 68.28 1itf n THR 69 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1itf h LYS 70 N 1.18 0.00 -0.19 -0.78 6.56 -1.92 0.27 116.57 121.69 1itf h LYS 70 Ca -0.47 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.06 1itf h LYS 70 Cb 1.34 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.00 1itf h LYS 70 CO 0.55 0.02 -0.13 -0.44 -2.06 0.00 0.00 179.45 177.39 1itf h ASP 71 N 0.00 0.44 0.90 0.86 3.32 -1.91 -0.68 116.42 119.35 1itf h ASP 71 Ca -0.00 -0.44 -0.19 0.00 0.02 0.00 0.00 57.03 56.42 1itf h ASP 71 Cb 0.12 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1itf h ASP 71 CO 0.00 0.78 -0.89 -1.28 -1.72 0.00 0.00 179.24 176.13 1itf h SER 72 N 0.10 0.00 -0.34 6.45 0.87 -1.57 -0.53 113.55 118.53 1itf h SER 72 Ca 0.04 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 1itf h SER 72 Cb 0.63 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1itf h SER 72 CO 0.03 0.89 -0.04 0.28 -0.53 0.00 0.00 176.83 177.46 1itf h SER 73 N 0.00 0.71 1.12 6.23 0.02 -0.42 -0.58 113.55 120.62 1itf h SER 73 Ca -0.01 -0.18 -0.15 0.00 -0.84 0.00 0.00 61.79 60.61 1itf h SER 73 Cb 1.59 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 1itf h SER 73 CO 0.12 0.80 -0.92 0.00 -1.14 0.00 0.00 176.83 175.68 1itf h ALA 74 N 1.27 0.61 -0.11 3.77 0.00 -1.10 -3.27 119.26 120.44 1itf h ALA 74 Ca 0.13 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1itf h ALA 74 Cb 0.48 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1itf h ALA 74 CO 0.02 0.88 -0.36 0.00 0.00 0.00 0.00 179.25 179.79 1itf h ALA 75 N 1.36 1.19 -0.42 0.00 0.00 -0.52 -3.45 119.26 117.42 1itf h ALA 75 Ca -0.07 -0.37 -0.67 0.00 0.00 0.00 0.00 54.91 53.80 1itf h ALA 75 Cb 1.55 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.13 1itf h ALA 75 CO 0.07 0.54 -0.49 -1.58 0.00 0.00 0.00 179.25 177.79 1itf s TRP 76 N -4.24 1.86 0.19 0.00 0.52 -0.28 -4.99 118.94 112.00 1itf s TRP 76 Ca -0.05 -0.93 -0.30 0.00 0.02 0.00 0.00 56.10 54.84 1itf s TRP 76 Cb 0.14 -1.65 -0.08 0.00 -1.15 0.00 0.00 33.47 30.73 1itf s TRP 76 CO 0.76 0.16 1.15 -0.51 0.02 0.00 0.00 176.95 178.53 1itf s ASP 77 N -3.92 7.17 0.40 2.95 1.11 -1.26 -4.79 116.67 118.32 1itf s ASP 77 Ca 0.10 2.19 0.13 0.00 0.18 0.00 0.00 52.55 55.15 1itf s ASP 77 Cb 0.01 -2.61 0.82 0.00 1.07 0.00 0.00 42.92 42.22 1itf s ASP 77 CO 0.05 -0.30 1.88 1.05 1.18 0.00 0.00 175.17 179.04 1itf h GLU 78 N 5.02 0.00 0.05 8.23 4.11 -1.96 0.24 114.58 130.27 1itf h GLU 78 Ca -0.45 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.85 1itf h GLU 78 Cb 1.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1itf h GLU 78 CO 0.73 0.31 -0.54 1.15 0.07 0.00 0.00 179.01 180.72 1itf h THR 79 N 0.00 1.51 -0.50 -1.06 2.02 -1.95 0.18 112.91 113.12 1itf h THR 79 Ca -0.00 -2.22 -0.03 0.00 0.77 0.00 0.00 66.41 64.92 1itf h THR 79 Cb 0.55 2.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.84 1itf h THR 79 CO 0.04 0.63 0.17 -0.07 0.37 0.00 0.00 175.52 176.66 1itf h LEU 80 N -0.35 0.66 -0.55 2.58 3.38 -1.92 -1.09 115.31 118.02 1itf h LEU 80 Ca -0.08 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 1itf h LEU 80 Cb 1.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1itf h LEU 80 CO 0.10 0.62 -0.65 -0.07 0.09 0.00 0.00 178.44 178.53 1itf h LEU 81 N 0.71 0.36 -0.04 1.67 3.38 -0.53 -1.76 115.31 119.10 1itf h LEU 81 Ca 0.17 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1itf h LEU 81 Cb 0.19 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1itf h LEU 81 CO -0.01 0.91 -0.12 -0.78 0.09 0.00 0.00 178.44 178.53 1itf h ASP 82 N 0.22 -0.36 -0.31 -0.43 1.82 0.62 0.24 116.42 118.22 1itf h ASP 82 Ca -0.01 0.06 -0.05 0.00 -0.39 0.00 0.00 57.03 56.63 1itf h ASP 82 Cb 1.19 0.16 -0.02 0.00 0.68 0.00 0.00 39.33 41.34 1itf h ASP 82 CO 0.11 -0.17 0.03 0.11 -1.61 0.00 0.00 179.24 177.70 1itf h LYS 83 N -0.19 0.63 -0.51 0.28 1.57 -1.33 -1.93 116.57 115.09 1itf h LYS 83 Ca 0.06 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1itf h LYS 83 Cb 0.26 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1itf h LYS 83 CO -0.15 0.63 0.21 0.35 -0.57 0.00 0.00 179.45 179.92 1itf h PHE 84 N 0.60 0.72 -0.15 -1.35 3.57 -0.26 -0.76 116.94 119.31 1itf h PHE 84 Ca 0.13 -0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.41 1itf h PHE 84 Cb 0.34 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1itf h PHE 84 CO 0.01 0.56 -0.67 1.88 -2.23 0.00 0.00 178.31 177.86 1itf h TYR 85 N 0.72 0.78 -0.52 0.41 0.05 0.13 -1.84 116.97 116.71 1itf h TYR 85 Ca 0.18 -0.32 -0.06 0.00 0.05 0.00 0.00 58.73 58.58 1itf h TYR 85 Cb 0.13 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1itf h TYR 85 CO 0.01 1.09 0.10 1.15 -1.05 0.00 0.00 178.16 179.46 1itf h THR 86 N 0.42 1.25 -0.04 -2.88 2.02 -0.73 -0.78 112.91 112.17 1itf h THR 86 Ca -0.02 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 66.16 1itf h THR 86 Cb 1.26 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1itf h THR 86 CO 0.13 0.33 -0.42 -0.33 0.37 0.00 0.00 175.52 175.59 1itf h GLU 87 N 0.73 0.08 -0.25 6.66 4.39 -1.13 0.17 114.58 125.22 1itf h GLU 87 Ca 0.16 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 1itf h GLU 87 Cb 0.37 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1itf h GLU 87 CO 0.01 0.49 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.24 1itf h LEU 88 N 0.06 0.47 -0.53 1.33 3.38 -0.78 -0.96 115.31 118.28 1itf h LEU 88 Ca 0.00 -0.34 -0.16 0.00 0.09 0.00 0.00 57.88 57.47 1itf h LEU 88 Cb 0.77 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1itf h LEU 88 CO 0.06 0.70 -0.72 0.22 0.09 0.00 0.00 178.44 178.79 1itf h TYR 89 N 0.23 0.18 -0.19 1.13 3.20 -0.98 -0.57 116.97 119.97 1itf h TYR 89 Ca 0.07 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1itf h TYR 89 Cb 0.48 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1itf h TYR 89 CO 0.04 0.80 -0.01 1.96 -1.64 0.00 0.00 178.16 179.32 1itf h GLN 90 N 0.09 0.34 -0.04 1.82 1.08 -0.88 0.16 115.11 117.69 1itf h GLN 90 Ca -0.02 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.02 1itf h GLN 90 Cb 1.27 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 1itf h GLN 90 CO 0.10 0.55 -0.20 0.37 -0.95 0.00 0.00 178.83 178.71 1itf h GLN 91 N 0.09 0.06 -0.15 1.46 5.75 -1.15 -1.55 115.11 119.62 1itf h GLN 91 Ca 0.05 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 1itf h GLN 91 Cb 0.40 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1itf h GLN 91 CO 0.01 0.26 -0.43 -0.07 -2.65 0.00 0.00 178.83 175.95 1itf h LEU 92 N 0.05 0.38 -0.24 -2.39 3.38 -0.39 -0.23 115.31 115.87 1itf h LEU 92 Ca 0.01 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1itf h LEU 92 Cb 0.39 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1itf h LEU 92 CO 0.03 0.77 -0.20 0.78 0.09 0.00 0.00 178.44 179.90 1itf h ASN 93 N 0.30 0.59 -0.45 -0.43 2.35 0.27 -0.11 115.58 118.10 1itf h ASN 93 Ca 0.02 -0.46 -0.08 0.00 -0.55 0.00 0.00 56.30 55.24 1itf h ASN 93 Cb 0.88 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 1itf h ASN 93 CO 0.07 0.93 -0.02 -0.78 -1.65 0.00 0.00 177.43 175.98 1itf h ASP 94 N 0.27 0.80 -0.49 5.81 1.82 -1.30 -0.47 116.42 122.85 1itf h ASP 94 Ca 0.04 -0.32 -0.04 0.00 -0.39 0.00 0.00 57.03 56.32 1itf h ASP 94 Cb 0.75 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.52 1itf h ASP 94 CO 0.05 0.92 0.17 -0.07 -1.61 0.00 0.00 179.24 178.71 1itf h LEU 95 N 0.65 0.73 -0.35 2.28 3.38 -0.99 -2.54 115.31 118.48 1itf h LEU 95 Ca 0.12 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1itf h LEU 95 Cb 0.53 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1itf h LEU 95 CO 0.03 0.69 -0.54 -0.08 0.09 0.00 0.00 178.44 178.63 1itf h GLU 96 N 0.78 0.82 -0.69 1.13 4.81 -0.71 -2.98 114.58 117.74 1itf h GLU 96 Ca 0.18 -0.52 0.11 0.00 -0.13 0.00 0.00 59.36 59.01 1itf h GLU 96 Cb 0.22 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.58 1itf h GLU 96 CO -0.01 1.15 0.28 0.00 -0.73 0.00 0.00 179.01 179.70 1itf h ALA 97 N 0.75 0.94 -0.29 2.92 0.00 -0.67 0.25 119.26 123.17 1itf h ALA 97 Ca 0.01 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1itf h ALA 97 Cb 1.14 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1itf h ALA 97 CO 0.12 -0.17 0.13 0.00 0.00 0.00 0.00 179.25 179.33 1itf h VAL 99 N 0.28 1.11 0.15 0.00 2.07 -0.79 -2.73 116.25 116.34 1itf h VAL 99 Ca 0.12 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1itf h VAL 99 Cb 0.05 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1itf h VAL 99 CO -0.09 0.13 -0.19 0.40 0.02 0.00 0.00 177.57 177.83 1itf h ILE 100 N 0.30 0.57 -3.95 4.57 1.08 0.21 -3.43 117.51 116.87 1itf h ILE 100 Ca 0.07 0.00 -0.42 0.00 -0.39 0.00 0.00 64.86 64.13 1itf h ILE 100 Cb 0.12 0.57 0.16 0.00 -3.07 0.00 0.00 36.82 34.59 1itf h ILE 100 CO -0.00 0.00 0.37 0.00 -0.69 0.00 0.00 178.15 177.83 1itf n GLN 101 N -5.32 -1.13 0.23 2.37 3.00 -1.03 -4.95 117.38 110.56 1itf n GLN 101 Ca -0.07 -2.04 0.09 0.00 -0.01 0.00 0.00 57.00 54.97 1itf n GLN 101 Cb 0.23 -1.25 0.57 0.00 0.00 0.00 0.00 30.24 29.79 1itf n GLN 101 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1itf h GLY 102 N -1.57 0.00 -1.02 1.08 0.00 -1.83 -3.45 103.07 96.28 1itf h GLY 102 Ca -0.40 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.51 1itf h GLY 102 CO 0.30 0.00 -0.02 -1.34 0.00 0.00 0.00 176.54 175.47 1itf s VAL 103 N -4.08 1.73 0.00 4.60 -7.23 -1.25 -3.96 120.40 110.20 1itf s VAL 103 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 1itf s VAL 103 Cb 0.13 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1itf s VAL 103 CO 0.64 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.04 1itf n GLY 104 N 0.84 2.38 3.98 2.32 0.00 -1.17 -3.99 105.19 109.55 1itf n GLY 104 Ca 0.06 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 2.42 0.47 1.61 -7.23 -1.25 -3.80 120.40 112.61 1itf s VAL 105 Ca 0.00 -0.64 0.07 0.00 -1.81 0.00 0.00 61.98 59.60 1itf s VAL 105 Cb 0.00 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 34.17 1itf s VAL 105 CO 0.00 0.00 0.43 0.42 -0.31 0.00 0.00 175.10 175.64 1itf s THR 106 N -2.92 2.30 0.23 5.32 -4.23 -1.26 -4.93 115.64 110.14 1itf s THR 106 Ca 0.61 -1.35 -0.07 0.00 -1.18 0.00 0.00 61.69 59.70 1itf s THR 106 Cb -0.08 -2.65 0.19 0.00 1.34 0.00 0.00 72.50 71.30 1itf s THR 106 CO 0.41 0.00 1.86 -0.08 -0.54 0.00 0.00 174.62 176.27 1itf h GLU 107 N 0.85 0.94 -3.31 3.99 4.81 -2.00 -3.26 114.58 116.61 1itf h GLU 107 Ca -0.39 -0.06 -0.64 0.00 -0.13 0.00 0.00 59.36 58.15 1itf h GLU 107 Cb 1.28 -0.21 -0.41 0.00 0.63 0.00 0.00 28.75 30.04 1itf h GLU 107 CO 0.55 0.62 -0.58 -0.08 -0.73 0.00 0.00 179.01 178.79 1itf s THR 108 N -6.09 2.79 -0.63 0.32 -1.32 -1.26 -5.04 115.64 104.41 1itf s THR 108 Ca -0.13 -3.59 -0.26 0.00 -1.21 0.00 0.00 61.69 56.50 1itf s THR 108 Cb 0.17 -2.89 -0.02 0.00 -1.51 0.00 0.00 72.50 68.24 1itf s THR 108 CO 0.78 -0.87 1.87 -2.16 -2.21 0.00 0.00 174.62 172.04 1itf s PRO 109 N -0.64 2.61 0.00 7.08 0.04 -1.23 -4.61 135.00 138.26 1itf s PRO 109 Ca 0.19 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1itf s PRO 109 Cb -0.19 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 29.91 1itf s PRO 109 CO -0.05 -2.79 0.00 1.28 0.04 0.00 0.00 177.00 175.48 1itf n LEU 110 N 12.89 0.98 0.29 -3.56 4.77 -1.26 -4.59 117.00 126.51 1itf n LEU 110 Ca 0.22 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.34 1itf n LEU 110 Cb 0.52 0.00 0.86 0.00 -2.33 0.00 0.00 43.42 42.47 1itf n LEU 110 CO 0.70 0.13 1.11 0.00 -1.33 0.00 0.00 177.39 178.00 1itf h MET 111 N 0.00 0.00 0.00 3.23 -0.00 -1.99 -1.53 114.93 114.63 1itf h MET 111 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.58 1itf h MET 111 Cb 0.90 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.48 1itf h MET 111 CO 0.00 0.01 -0.61 1.57 -0.00 0.00 0.00 176.91 177.88 1itf h LYS 112 N 0.00 0.00 0.05 -0.10 2.10 -1.91 -3.09 116.57 113.62 1itf h LYS 112 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1itf h LYS 112 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1itf h LYS 112 CO 0.00 0.51 -0.02 1.49 -2.00 0.00 0.00 179.45 179.42 1itf h GLU 113 N 0.00 -0.07 0.00 0.07 4.81 -1.53 -1.36 114.58 116.51 1itf h GLU 113 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1itf h GLU 113 Cb 1.42 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 1itf h GLU 113 CO 0.07 0.44 -0.11 0.38 -0.73 0.00 0.00 179.01 179.06 1itf h ASP 114 N -0.62 0.00 -0.07 1.04 2.03 -1.66 0.48 116.42 117.62 1itf h ASP 114 Ca -0.01 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1itf h ASP 114 Cb 0.54 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1itf h ASP 114 CO 0.01 0.11 -0.06 0.28 -1.03 0.00 0.00 179.24 178.55 1itf h SER 115 N 0.00 0.18 0.26 4.15 0.02 -1.44 0.94 113.55 117.66 1itf h SER 115 Ca -0.00 -0.46 -0.10 0.00 -0.84 0.00 0.00 61.79 60.39 1itf h SER 115 Cb 0.24 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1itf h SER 115 CO 0.01 0.60 -0.40 0.40 -1.14 0.00 0.00 176.83 176.31 1itf h ILE 116 N -0.25 1.30 -0.21 3.27 2.04 -0.60 -1.70 117.51 121.36 1itf h ILE 116 Ca 0.01 -1.47 -0.12 0.00 1.00 0.00 0.00 64.86 64.29 1itf h ILE 116 Cb 0.55 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1itf h ILE 116 CO 0.02 0.44 -0.38 -0.07 0.00 0.00 0.00 178.15 178.15 1itf h LEU 117 N 0.16 0.49 -0.30 1.44 3.38 0.10 0.50 115.31 121.07 1itf h LEU 117 Ca 0.02 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1itf h LEU 117 Cb 0.78 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1itf h LEU 117 CO 0.06 0.82 -0.08 0.00 0.09 0.00 0.00 178.44 179.34 1itf h ALA 118 N 1.20 0.42 0.00 1.53 0.00 -0.43 -1.06 119.26 120.92 1itf h ALA 118 Ca 0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1itf h ALA 118 Cb 0.84 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1itf h ALA 118 CO 0.07 0.25 -0.22 0.28 0.00 0.00 0.00 179.25 179.62 1itf h VAL 119 N 0.35 0.76 -0.19 0.00 2.07 -1.04 -1.75 116.25 116.45 1itf h VAL 119 Ca 0.08 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.57 1itf h VAL 119 Cb 0.57 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1itf h VAL 119 CO 0.03 0.22 -0.31 -0.09 0.02 0.00 0.00 177.57 177.44 1itf h ARG 120 N 0.00 0.55 -0.01 1.57 2.43 0.71 -0.75 114.38 118.88 1itf h ARG 120 Ca -0.00 -0.33 -0.10 0.00 -0.81 0.00 0.00 59.98 58.73 1itf h ARG 120 Cb 0.54 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1itf h ARG 120 CO 0.03 0.94 -0.48 0.87 -1.51 0.00 0.00 179.97 179.82 1itf h LYS 121 N 0.21 0.03 0.09 0.20 1.57 -1.00 0.11 116.57 117.77 1itf h LYS 121 Ca 0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1itf h LYS 121 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1itf h LYS 121 CO 0.07 0.50 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.49 1itf h TYR 122 N 0.02 -0.11 0.00 -1.35 3.20 -1.17 -1.62 116.97 115.95 1itf h TYR 122 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1itf h TYR 122 Cb 0.86 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1itf h TYR 122 CO 0.00 0.18 -0.35 0.74 -1.64 0.00 0.00 178.16 177.09 1itf h PHE 123 N -0.39 0.00 -0.67 -3.82 -1.00 -1.00 -1.96 116.94 108.09 1itf h PHE 123 Ca -0.01 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 1itf h PHE 123 Cb 0.33 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 1itf h PHE 123 CO 0.02 0.35 0.15 0.37 -1.61 0.00 0.00 178.31 177.59 1itf h GLN 124 N 0.00 1.09 -0.21 1.51 5.75 -0.57 0.40 115.11 123.08 1itf h GLN 124 Ca -0.00 -0.27 -0.08 0.00 -0.15 0.00 0.00 58.65 58.14 1itf h GLN 124 Cb 0.70 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1itf h GLN 124 CO 0.05 0.98 -0.23 -0.09 -2.65 0.00 0.00 178.83 176.88 1itf h ARG 125 N 1.01 0.38 -0.35 1.69 9.65 -0.82 -1.99 114.38 123.97 1itf h ARG 125 Ca 0.21 -0.13 -0.11 0.00 -1.10 0.00 0.00 59.98 58.84 1itf h ARG 125 Cb 0.39 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1itf h ARG 125 CO 0.01 0.60 -0.25 0.82 2.80 0.00 0.00 179.97 183.94 1itf h ILE 126 N 0.35 1.27 -0.42 1.20 2.04 -0.58 0.15 117.51 121.51 1itf h ILE 126 Ca 0.06 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 1itf h ILE 126 Cb 0.60 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1itf h ILE 126 CO 0.04 0.45 0.06 0.74 0.00 0.00 0.00 178.15 179.43 1itf h THR 127 N 0.61 1.25 -0.04 -0.27 2.02 -0.37 -0.61 112.91 115.50 1itf h THR 127 Ca 0.08 -0.91 -0.14 0.00 0.77 0.00 0.00 66.41 66.21 1itf h THR 127 Cb 0.75 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1itf h THR 127 CO 0.06 0.31 -0.61 -0.07 0.37 0.00 0.00 175.52 175.58 1itf h LEU 128 N 0.56 0.16 -0.50 2.58 3.38 -1.24 -1.83 115.31 118.42 1itf h LEU 128 Ca 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1itf h LEU 128 Cb 0.40 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1itf h LEU 128 CO 0.01 0.73 0.18 0.22 0.09 0.00 0.00 178.44 179.67 1itf h TYR 129 N 0.10 0.77 -0.38 1.13 3.20 -0.37 0.32 116.97 121.74 1itf h TYR 129 Ca -0.01 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.75 1itf h TYR 129 Cb 1.10 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1itf h TYR 129 CO 0.01 0.66 0.04 -0.07 -1.64 0.00 0.00 178.16 177.17 1itf h LEU 130 N 0.66 0.62 -1.30 2.82 3.38 -0.98 -1.24 115.31 119.27 1itf h LEU 130 Ca 0.16 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1itf h LEU 130 Cb 0.23 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1itf h LEU 130 CO -0.01 0.74 -0.35 0.50 0.09 0.00 0.00 178.44 179.42 1itf h LYS 131 N 0.48 0.00 -0.15 1.13 3.64 -1.08 0.68 116.57 121.28 1itf h LYS 131 Ca 0.11 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1itf h LYS 131 Cb 0.39 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1itf h LYS 131 CO 0.01 0.35 -0.13 0.93 -2.27 0.00 0.00 179.45 178.33 1itf h GLU 132 N 0.00 0.36 -0.08 1.90 5.08 0.03 -2.71 114.58 119.16 1itf h GLU 132 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1itf h GLU 132 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1itf h GLU 132 CO 0.04 0.73 0.00 1.63 -1.00 0.00 0.00 179.01 180.41 1itf n LYS 133 N -4.56 1.29 -3.42 2.33 4.01 -0.50 -4.89 118.16 112.41 1itf n LYS 133 Ca -0.06 -0.44 -0.23 0.00 -0.51 0.00 0.00 58.31 57.07 1itf n LYS 133 Cb 0.35 -1.30 0.07 0.00 -0.51 0.00 0.00 35.03 33.64 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 -0.31 -7.00 -3.53 1.97 5.02 0.04 -2.59 118.16 111.77 1itf n LYS 134 Ca 0.13 0.82 -0.19 0.00 -2.02 0.00 0.00 58.31 57.06 1itf n LYS 134 Cb 0.16 -5.75 0.07 0.00 -0.02 0.00 0.00 35.03 29.49 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 -4.82 -2.09 -2.65 2.13 4.01 0.22 -4.96 117.16 109.00 1itf n TYR 135 Ca -0.02 0.90 -0.34 0.00 -0.16 0.00 0.00 57.90 58.28 1itf n TYR 135 Cb 0.57 -4.82 -0.05 0.00 -0.31 0.00 0.00 39.34 34.73 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 -4.35 6.60 0.37 7.72 0.15 -1.07 -4.89 113.70 118.22 1itf s SER 136 Ca 0.01 1.84 0.08 0.00 0.70 0.00 0.00 55.95 58.59 1itf s SER 136 Cb -0.00 -2.55 0.71 0.00 -1.71 0.00 0.00 66.02 62.46 1itf s SER 136 CO 0.76 -0.60 1.88 1.55 1.20 0.00 0.00 173.24 178.02 1itf h PRO 137 N 1.76 0.28 -0.29 5.44 0.13 -1.92 0.18 132.00 137.57 1itf h PRO 137 Ca -0.49 -0.07 -0.17 0.00 -0.87 0.00 0.00 66.00 64.40 1itf h PRO 137 Cb 1.20 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1itf h PRO 137 CO 0.60 0.44 -0.47 0.00 -0.23 0.00 0.00 178.00 178.33 1itf h ALA 139 N 0.68 0.77 -0.33 0.00 0.00 -1.76 -2.08 119.26 116.54 1itf h ALA 139 Ca 0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1itf h ALA 139 Cb 1.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1itf h ALA 139 CO 0.11 0.52 -0.04 -1.49 0.00 0.00 0.00 179.25 178.35 1itf h TRP 140 N 0.86 0.55 -0.53 0.00 4.06 -0.54 -1.30 115.95 119.05 1itf h TRP 140 Ca 0.18 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 61.03 1itf h TRP 140 Cb 0.41 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1itf h TRP 140 CO 0.03 0.56 0.20 1.49 -3.56 0.00 0.00 178.44 177.16 1itf h GLU 141 N 0.50 0.80 -0.66 0.49 4.57 -0.61 0.35 114.58 120.02 1itf h GLU 141 Ca 0.10 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1itf h GLU 141 Cb 0.38 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1itf h GLU 141 CO 0.02 0.71 0.31 0.28 -1.18 0.00 0.00 179.01 179.15 1itf h VAL 142 N 0.73 1.23 0.00 0.32 2.07 -0.86 -1.93 116.25 117.80 1itf h VAL 142 Ca 0.18 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1itf h VAL 142 Cb 0.22 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1itf h VAL 142 CO -0.01 0.27 -0.36 0.58 0.02 0.00 0.00 177.57 178.07 1itf h VAL 143 N 0.92 0.79 -0.03 2.57 2.07 -0.87 -1.63 116.25 120.07 1itf h VAL 143 Ca 0.23 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1itf h VAL 143 Cb 0.14 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1itf h VAL 143 CO -0.03 0.35 -0.02 0.08 0.02 0.00 0.00 177.57 177.98 1itf h ARG 144 N 0.00 0.06 -0.58 1.57 -0.00 0.28 0.23 114.38 115.94 1itf h ARG 144 Ca -0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.98 59.90 1itf h ARG 144 Cb 0.95 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.90 1itf h ARG 144 CO 0.05 0.49 0.19 0.00 -0.00 0.00 0.00 179.97 180.70 1itf h ALA 145 N 0.57 1.24 -0.08 0.08 0.00 -1.35 0.10 119.26 119.81 1itf h ALA 145 Ca 0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1itf h ALA 145 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1itf h ALA 145 CO 0.01 0.54 -0.42 0.93 0.00 0.00 0.00 179.25 180.30 1itf h GLU 146 N 0.85 0.17 0.00 0.00 5.08 -1.13 -0.20 114.58 119.35 1itf h GLU 146 Ca 0.19 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.29 1itf h GLU 146 Cb 0.24 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1itf h GLU 146 CO -0.01 0.57 -0.84 0.82 -1.00 0.00 0.00 179.01 178.54 1itf h ILE 147 N 0.14 1.57 -0.09 3.13 1.08 0.30 0.19 117.51 123.82 1itf h ILE 147 Ca 0.01 -2.77 -0.20 0.00 -0.39 0.00 0.00 64.86 61.51 1itf h ILE 147 Cb 0.81 2.51 0.00 0.00 -3.07 0.00 0.00 36.82 37.07 1itf h ILE 147 CO 0.06 0.80 -0.79 -0.03 -0.69 0.00 0.00 178.15 177.50 1itf h MET 148 N 0.03 0.53 -0.13 2.37 4.05 -0.67 0.35 114.93 121.46 1itf h MET 148 Ca -0.02 -0.45 -0.17 0.00 -0.28 0.00 0.00 59.70 58.78 1itf h MET 148 Cb 1.47 0.10 0.01 0.00 -0.80 0.00 0.00 31.60 32.38 1itf h MET 148 CO 0.12 1.08 -0.57 0.00 0.23 0.00 0.00 176.91 177.77 1itf h ARG 149 N 0.35 0.61 -0.35 0.39 2.47 -1.00 -0.31 114.38 116.54 1itf h ARG 149 Ca -0.05 -0.48 -0.08 0.00 -1.26 0.00 0.00 59.98 58.10 1itf h ARG 149 Cb 1.39 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.79 1itf h ARG 149 CO 0.14 1.11 -0.13 0.77 0.56 0.00 0.00 179.97 182.42 1itf h SER 150 N 0.25 0.61 -0.15 7.04 0.02 -0.96 0.47 113.55 120.84 1itf h SER 150 Ca -0.03 -0.18 -0.15 0.00 -0.84 0.00 0.00 61.79 60.59 1itf h SER 150 Cb 1.20 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.58 1itf h SER 150 CO 0.12 0.77 -0.51 0.15 -1.14 0.00 0.00 176.83 176.22 1itf h PHE 151 N 0.57 0.80 -0.23 3.45 3.04 -0.87 -0.96 116.94 122.73 1itf h PHE 151 Ca 0.10 -0.33 -0.06 0.00 3.98 0.00 0.00 57.97 61.66 1itf h PHE 151 Cb 0.56 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1itf h PHE 151 CO 0.02 1.11 -0.12 0.66 -2.02 0.00 0.00 178.31 177.96 1itf h SER 152 N 0.26 0.36 -0.32 0.41 4.64 -0.87 -0.76 113.55 117.27 1itf h SER 152 Ca -0.02 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.10 1itf h SER 152 Cb 1.14 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1itf h SER 152 CO 0.11 0.52 -0.24 -0.07 -0.87 0.00 0.00 176.83 176.28 1itf h LEU 153 N 0.36 0.77 -1.11 5.97 3.38 -0.79 0.52 115.31 124.41 1itf h LEU 153 Ca 0.07 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1itf h LEU 153 Cb 0.43 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1itf h LEU 153 CO 0.02 1.05 -0.03 0.77 0.09 0.00 0.00 178.44 180.34 1itf h SER 154 N 0.50 0.56 -0.13 -0.43 4.64 -0.71 -2.83 113.55 115.16 1itf h SER 154 Ca 0.06 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1itf h SER 154 Cb 0.79 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1itf h SER 154 CO 0.06 0.65 0.00 0.35 -0.87 0.00 0.00 176.83 177.03 1itf n THR 155 N -4.24 0.14 0.30 2.95 -2.24 -0.33 -4.21 114.28 106.65 1itf n THR 155 Ca 0.02 -0.57 0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1itf n THR 155 Cb 0.28 1.35 0.56 0.00 -2.10 0.00 0.00 70.33 70.41 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 4.58 0.00 0.14 3.42 -0.73 0.32 -2.09 115.58 121.22 1itf h ASN 156 Ca 0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1itf h ASN 156 Cb 0.98 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.57 1itf h ASN 156 CO 0.00 0.00 -0.04 -0.07 -0.37 0.00 0.00 177.43 176.95 1itf h LEU 157 N 0.00 0.00 -0.21 0.34 -0.00 -1.75 -3.03 115.31 110.66 1itf h LEU 157 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1itf h LEU 157 Cb 0.23 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.82 1itf h LEU 157 CO 0.00 0.04 -0.54 -0.61 -0.00 0.00 0.00 178.44 177.33 1itf h GLN 158 N 0.00 -0.51 -2.29 1.13 4.15 -1.71 -3.41 115.11 112.48 1itf h GLN 158 Ca -0.00 0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.33 1itf h GLN 158 Cb 0.12 0.12 -0.29 0.00 0.21 0.00 0.00 27.48 27.63 1itf h GLN 158 CO 0.00 -0.34 -0.43 -1.21 -1.93 0.00 0.00 178.83 174.93 1itf s GLU 159 N -5.71 0.32 -0.41 1.69 2.02 -1.14 -5.08 118.70 110.38 1itf s GLU 159 Ca -0.15 0.81 0.05 0.00 0.02 0.00 0.00 54.97 55.69 1itf s GLU 159 Cb 0.08 -0.03 0.19 0.00 0.10 0.00 0.00 34.13 34.47 1itf s GLU 159 CO 0.62 -0.42 0.40 0.45 0.02 0.00 0.00 175.26 176.33 1itf n SER 160 N 5.38 -0.52 0.11 -0.19 2.88 -1.25 -4.93 113.62 115.10 1itf n SER 160 Ca -0.06 -2.47 0.12 0.00 -1.33 0.00 0.00 58.87 55.12 1itf n SER 160 Cb 0.50 -0.44 0.12 0.00 -0.75 0.00 0.00 64.21 63.64 1itf n SER 160 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1itf h LEU 161 N 5.24 0.00 -5.96 2.46 4.07 -1.98 -3.37 115.31 115.77 1itf h LEU 161 Ca 0.21 -0.08 -0.66 0.00 0.08 0.00 0.00 57.88 57.43 1itf h LEU 161 Cb 0.91 0.00 -0.38 0.00 1.08 0.00 0.00 40.66 42.28 1itf h LEU 161 CO 0.37 0.04 -0.17 -1.14 -1.08 0.00 0.00 178.44 176.46 1itf n ARG 162 N -2.49 3.52 -3.18 1.13 0.63 -1.26 -5.04 116.66 109.97 1itf n ARG 162 Ca 0.02 -4.73 -0.39 0.00 -0.92 0.00 0.00 57.85 51.83 1itf n ARG 162 Cb 0.50 -2.32 -0.06 0.00 0.45 0.00 0.00 32.46 31.03 1itf n ARG 162 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1itf s SER 163 N -2.59 6.72 -0.78 6.15 0.15 -1.26 -4.98 113.70 117.11 1itf s SER 163 Ca 0.42 0.86 0.02 0.00 0.70 0.00 0.00 55.95 57.95 1itf s SER 163 Cb 0.19 -2.33 0.35 0.00 -1.71 0.00 0.00 66.02 62.51 1itf s SER 163 CO -0.06 -0.16 1.49 0.29 1.20 0.00 0.00 173.24 176.00 1itf n LYS 164 N 4.43 4.03 0.00 5.44 5.02 -1.26 -5.23 118.16 130.59 1itf n LYS 164 Ca -0.03 -4.52 0.00 0.00 -2.02 0.00 0.00 58.31 51.74 1itf n LYS 164 Cb 0.51 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 1itf n LYS 164 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97