#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwx s THR 3 N 0.00 3.15 0.09 6.66 2.01 -1.26 0.19 115.64 126.48 1pwx s THR 3 Ca 0.00 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.38 1pwx s THR 3 Cb 0.00 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1pwx s THR 3 CO 0.00 0.55 -0.10 0.00 -0.69 0.00 0.00 174.62 174.38 1pwx s ALA 4 N -0.05 1.02 -0.02 7.40 0.00 -0.15 0.03 121.76 129.99 1pwx s ALA 4 Ca -0.02 -1.14 0.07 0.00 0.00 0.00 0.00 51.96 50.87 1pwx s ALA 4 Cb -0.14 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1pwx s ALA 4 CO 0.04 -0.05 -0.24 0.42 0.00 0.00 0.00 175.76 175.93 1pwx s ILE 5 N -2.37 1.89 -0.18 0.00 1.01 0.19 -1.73 121.20 120.01 1pwx s ILE 5 Ca 0.04 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 1pwx s ILE 5 Cb -0.03 -1.57 0.05 0.00 0.01 0.00 0.00 42.46 40.91 1pwx s ILE 5 CO -0.00 0.54 -0.05 -0.69 0.00 0.00 0.00 174.94 174.74 1pwx s VAL 6 N -0.54 1.11 0.77 2.92 1.01 -1.00 -0.25 120.40 124.42 1pwx s VAL 6 Ca 0.09 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1pwx s VAL 6 Cb -0.09 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 35.01 1pwx s VAL 6 CO -0.01 0.08 1.12 0.42 0.00 0.00 0.00 175.10 176.71 1pwx s THR 7 N 1.62 2.89 -0.62 3.92 -4.23 -1.07 -1.75 115.64 116.40 1pwx s THR 7 Ca -0.00 0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 1pwx s THR 7 Cb -0.16 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.48 1pwx s THR 7 CO -0.08 -0.38 0.38 0.59 -0.54 0.00 0.00 174.62 174.59 1pwx n ASN 8 N -3.23 -2.55 0.02 3.99 3.02 -1.03 -4.18 115.26 111.30 1pwx n ASN 8 Ca 0.07 -0.69 0.13 0.00 -0.03 0.00 0.00 54.58 54.06 1pwx n ASN 8 Cb 0.58 -0.92 0.56 0.00 -0.61 0.00 0.00 39.78 39.39 1pwx n ASN 8 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1pwx n VAL 9 N -2.71 0.19 1.19 2.41 3.14 -0.56 -2.65 118.33 119.34 1pwx n VAL 9 Ca -0.12 -0.02 0.13 0.00 -2.96 0.00 0.00 64.34 61.37 1pwx n VAL 9 Cb 0.36 -0.56 0.35 0.00 -1.06 0.00 0.00 33.84 32.92 1pwx n VAL 9 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1pwx n LYS 10 N -1.63 1.95 -4.15 1.45 5.02 -1.26 -2.70 118.16 116.83 1pwx n LYS 10 Ca 0.06 -1.40 -0.10 0.00 -2.02 0.00 0.00 58.31 54.86 1pwx n LYS 10 Cb 0.34 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 1pwx n LYS 10 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1pwx s HIS 11 N -1.91 0.89 0.00 2.13 3.76 -1.08 -4.70 115.29 114.37 1pwx s HIS 11 Ca 0.34 -1.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 1pwx s HIS 11 Cb 0.20 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.40 1pwx s HIS 11 CO 0.31 -0.51 0.00 0.34 -0.85 0.00 0.00 174.74 174.03 1pwx n PHE 12 N -0.10 0.00 0.42 1.40 7.35 -0.47 -0.15 117.46 125.91 1pwx n PHE 12 Ca -0.05 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.66 1pwx n PHE 12 Cb 0.64 0.01 0.14 0.00 0.35 0.00 0.00 39.48 40.61 1pwx n PHE 12 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pwx n GLY 13 N 0.00 1.87 0.21 7.13 0.00 -1.26 -4.54 105.19 108.59 1pwx n GLY 13 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 1pwx n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pwx h GLY 14 N 4.73 -1.24 0.43 -0.02 0.00 -0.73 -2.45 103.07 103.80 1pwx h GLY 14 Ca 0.00 0.60 0.05 0.00 0.00 0.00 0.00 47.33 47.98 1pwx h GLY 14 CO 0.16 -0.39 -0.12 -0.33 0.00 0.00 0.00 176.54 175.85 1pwx h MET 15 N -0.31 -0.10 -0.65 4.80 2.86 -1.74 -1.57 114.93 118.22 1pwx h MET 15 Ca 0.00 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 1pwx h MET 15 Cb 0.32 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.93 1pwx h MET 15 CO -0.14 -0.07 0.26 0.78 1.06 0.00 0.00 176.91 178.80 1pwx h GLY 16 N -0.11 0.93 0.53 8.32 0.00 -1.80 -1.42 103.07 109.52 1pwx h GLY 16 Ca 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1pwx h GLY 16 CO -0.27 -0.02 -0.02 1.76 0.00 0.00 0.00 176.54 177.99 1pwx h SER 17 N 0.45 -0.05 0.53 0.19 0.02 -1.19 -2.75 113.55 110.75 1pwx h SER 17 Ca 0.33 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1pwx h SER 17 Cb 0.41 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1pwx h SER 17 CO -0.31 0.41 -0.09 0.00 -1.14 0.00 0.00 176.83 175.70 1pwx h ALA 18 N 0.38 1.14 0.01 3.77 0.00 -1.15 -1.07 119.26 122.34 1pwx h ALA 18 Ca -0.01 -0.08 -0.35 0.00 0.00 0.00 0.00 54.91 54.47 1pwx h ALA 18 Cb 0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1pwx h ALA 18 CO 0.01 0.11 -2.17 1.28 0.00 0.00 0.00 179.25 178.48 1pwx n LEU 19 N -3.40 0.80 0.08 0.00 4.32 -0.55 -3.71 117.00 114.55 1pwx n LEU 19 Ca -0.01 0.12 -0.10 0.00 -0.02 0.00 0.00 56.01 56.00 1pwx n LEU 19 Cb 0.25 0.12 -0.03 0.00 -1.62 0.00 0.00 43.42 42.14 1pwx n LEU 19 CO 0.28 0.54 0.20 -0.09 -1.22 0.00 0.00 177.39 177.11 1pwx h ARG 20 N 0.01 0.21 -0.27 3.23 9.65 -1.42 -1.00 114.38 124.79 1pwx h ARG 20 Ca -0.47 -0.25 -0.16 0.00 -1.10 0.00 0.00 59.98 58.01 1pwx h ARG 20 Cb 2.12 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 30.77 1pwx h ARG 20 CO 0.03 1.00 -0.46 -0.07 2.80 0.00 0.00 179.97 183.27 1pwx h LEU 21 N 0.11 0.76 -0.48 3.80 4.07 -1.38 -1.14 115.31 121.06 1pwx h LEU 21 Ca -0.05 -0.37 -0.12 0.00 0.08 0.00 0.00 57.88 57.41 1pwx h LEU 21 Cb 1.58 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 1pwx h LEU 21 CO 0.14 1.11 -0.19 -1.28 -1.08 0.00 0.00 178.44 177.15 1pwx h SER 22 N 0.56 0.99 -0.98 -0.43 0.87 -1.62 -1.81 113.55 111.13 1pwx h SER 22 Ca 0.03 -0.39 0.04 0.00 -1.23 0.00 0.00 61.79 60.25 1pwx h SER 22 Cb 1.02 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 62.65 1pwx h SER 22 CO 0.10 1.15 0.64 -0.33 -0.53 0.00 0.00 176.83 177.86 1pwx h GLU 23 N 0.82 1.18 0.00 2.24 3.07 -0.88 0.60 114.58 121.61 1pwx h GLU 23 Ca 0.11 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1pwx h GLU 23 Cb 0.76 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1pwx h GLU 23 CO 0.06 0.78 0.00 0.00 -1.40 0.00 0.00 179.01 178.45 1pwx h ALA 24 N 1.41 1.00 0.00 3.43 0.00 -0.96 -3.47 119.26 120.67 1pwx h ALA 24 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1pwx h ALA 24 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pwx h ALA 24 CO -0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1pwx n GLY 25 N 0.09 1.43 3.96 0.00 0.00 0.20 -5.02 105.19 105.85 1pwx n GLY 25 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1pwx n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pwx s HIS 26 N -2.00 3.46 -0.48 1.61 4.02 -0.72 -4.05 115.29 117.13 1pwx s HIS 26 Ca 0.00 0.08 -0.22 0.00 1.02 0.00 0.00 55.06 55.94 1pwx s HIS 26 Cb 0.00 -1.66 0.03 0.00 -1.02 0.00 0.00 32.58 29.93 1pwx s HIS 26 CO 0.00 0.35 0.78 0.99 1.02 0.00 0.00 174.74 177.88 1pwx s THR 27 N -2.07 4.64 -0.72 1.30 2.01 0.51 -4.33 115.64 116.97 1pwx s THR 27 Ca 0.36 0.23 -0.13 0.00 0.31 0.00 0.00 61.69 62.46 1pwx s THR 27 Cb -0.09 -4.35 0.19 0.00 0.01 0.00 0.00 72.50 68.25 1pwx s THR 27 CO 0.31 -0.81 0.65 -0.69 -0.69 0.00 0.00 174.62 173.39 1pwx s VAL 28 N 3.30 5.23 0.10 3.82 1.01 -1.26 -0.98 120.40 131.62 1pwx s VAL 28 Ca 0.27 -2.28 -0.31 0.00 0.00 0.00 0.00 61.98 59.66 1pwx s VAL 28 Cb -0.13 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.88 1pwx s VAL 28 CO 0.20 -0.96 1.56 0.00 0.00 0.00 0.00 175.10 175.90 1pwx s ALA 29 N 0.52 3.69 -0.07 5.51 0.00 -0.71 -0.43 121.76 130.28 1pwx s ALA 29 Ca 0.14 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1pwx s ALA 29 Cb -0.16 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 1pwx s ALA 29 CO -0.05 -0.90 -0.17 0.00 0.00 0.00 0.00 175.76 174.63 1pwx s HIS 31 N -0.31 2.93 0.00 0.00 5.65 -0.72 0.74 115.29 123.58 1pwx s HIS 31 Ca 0.02 -0.13 0.00 0.00 0.25 0.00 0.00 55.06 55.20 1pwx s HIS 31 Cb -0.13 -1.36 0.00 0.00 -1.18 0.00 0.00 32.58 29.92 1pwx s HIS 31 CO 0.03 0.55 0.00 -3.47 -0.65 0.00 0.00 174.74 171.19 1pwx n ASP 32 N -0.70 0.00 -0.09 9.88 -0.08 -1.26 -1.49 116.55 122.81 1pwx n ASP 32 Ca -0.08 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.14 1pwx n ASP 32 Cb 0.57 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.04 1pwx n ASP 32 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1pwx h GLU 33 N 0.00 0.16 0.00 -0.67 -0.00 -1.98 -2.39 114.58 109.70 1pwx h GLU 33 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.36 59.33 1pwx h GLU 33 Cb 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 28.71 1pwx h GLU 33 CO 0.00 0.10 -0.10 0.66 -0.00 0.00 0.00 179.01 179.67 1pwx h SER 34 N 0.16 0.00 0.00 3.06 4.64 -1.97 -2.81 113.55 116.63 1pwx h SER 34 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1pwx h SER 34 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1pwx h SER 34 CO -0.21 0.10 0.00 0.49 -0.87 0.00 0.00 176.83 176.34 1pwx n PHE 35 N -4.07 0.00 0.05 4.77 0.99 -0.90 -1.29 117.46 117.01 1pwx n PHE 35 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.42 1pwx n PHE 35 Cb 0.19 0.00 0.28 0.00 -1.00 0.00 0.00 39.48 38.95 1pwx n PHE 35 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1pwx h LYS 36 N 0.00 0.40 -5.40 -1.08 3.11 -1.67 -3.41 116.57 108.52 1pwx h LYS 36 Ca 0.00 -0.12 -0.61 0.00 -2.81 0.00 0.00 60.65 57.12 1pwx h LYS 36 Cb 0.00 -0.04 -0.12 0.00 -1.00 0.00 0.00 32.23 31.07 1pwx h LYS 36 CO 0.00 0.56 -0.17 -0.65 -2.81 0.00 0.00 179.45 176.38 1pwx s GLN 37 N -4.65 4.15 0.55 1.90 1.11 -0.41 -4.96 119.66 117.35 1pwx s GLN 37 Ca -0.06 0.22 0.27 0.00 0.01 0.00 0.00 55.36 55.79 1pwx s GLN 37 Cb 0.15 -3.57 1.45 0.00 -1.01 0.00 0.00 33.01 30.03 1pwx s GLN 37 CO 0.77 -0.11 1.99 1.57 0.01 0.00 0.00 175.29 179.51 1pwx h LYS 38 N 7.54 0.00 0.14 2.91 -0.00 -1.87 -1.36 116.57 123.94 1pwx h LYS 38 Ca -0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.30 1pwx h LYS 38 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.39 1pwx h LYS 38 CO 0.71 0.00 -0.07 0.38 -0.00 0.00 0.00 179.45 180.47 1pwx h ASP 39 N 0.00 -0.16 -0.79 7.07 3.04 -1.92 -0.82 116.42 122.82 1pwx h ASP 39 Ca 0.23 -0.21 0.04 0.00 -3.24 0.00 0.00 57.03 53.84 1pwx h ASP 39 Cb 0.99 0.04 -0.05 0.00 -1.04 0.00 0.00 39.33 39.27 1pwx h ASP 39 CO -0.00 0.13 0.50 -0.33 -2.04 0.00 0.00 179.24 177.50 1pwx h GLU 40 N -0.46 0.92 -0.27 4.15 4.39 -1.52 0.45 114.58 122.24 1pwx h GLU 40 Ca -0.02 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1pwx h GLU 40 Cb 0.37 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1pwx h GLU 40 CO 0.03 0.61 -0.24 1.25 -1.16 0.00 0.00 179.01 179.51 1pwx h LEU 41 N 0.95 0.52 -0.30 1.33 6.46 -1.38 -0.27 115.31 122.61 1pwx h LEU 41 Ca 0.33 -0.17 -0.20 0.00 -0.12 0.00 0.00 57.88 57.72 1pwx h LEU 41 Cb 0.07 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1pwx h LEU 41 CO -0.13 0.75 -0.83 -0.33 -0.62 0.00 0.00 178.44 177.28 1pwx h GLU 42 N 0.46 0.37 -0.04 1.25 4.39 0.08 -1.63 114.58 119.46 1pwx h GLU 42 Ca 0.07 -0.35 -0.19 0.00 0.34 0.00 0.00 59.36 59.23 1pwx h GLU 42 Cb 0.66 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1pwx h GLU 42 CO 0.05 1.02 -0.78 0.00 -1.16 0.00 0.00 179.01 178.14 1pwx h ALA 43 N 0.87 0.59 0.33 3.43 0.00 0.03 -2.19 119.26 122.33 1pwx h ALA 43 Ca -0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1pwx h ALA 43 Cb 1.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1pwx h ALA 43 CO 0.14 0.81 -0.16 0.35 0.00 0.00 0.00 179.25 180.39 1pwx h PHE 44 N 0.20 -0.42 -0.45 0.00 3.57 -1.04 -2.36 116.94 116.44 1pwx h PHE 44 Ca -0.04 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.58 1pwx h PHE 44 Cb 1.36 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.22 1pwx h PHE 44 CO 0.04 -0.25 0.67 0.00 -2.23 0.00 0.00 178.31 176.54 1pwx h ALA 45 N -1.11 2.17 0.52 2.41 0.00 -1.40 0.47 119.26 122.33 1pwx h ALA 45 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pwx h ALA 45 Cb 0.35 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1pwx h ALA 45 CO 0.08 -0.91 -0.25 1.05 0.00 0.00 0.00 179.25 179.22 1pwx h GLU 46 N 0.00 -0.67 0.00 0.00 -0.00 -1.25 -2.80 114.58 109.85 1pwx h GLU 46 Ca 0.21 0.05 -0.03 0.00 -0.00 0.00 0.00 59.36 59.60 1pwx h GLU 46 Cb 1.56 0.15 -0.00 0.00 -0.00 0.00 0.00 28.75 30.46 1pwx h GLU 46 CO -0.00 -0.45 -0.12 1.15 -0.00 0.00 0.00 179.01 179.59 1pwx h THR 47 N -1.12 0.69 -2.48 -1.06 2.02 -0.45 -3.34 112.91 107.18 1pwx h THR 47 Ca -0.07 -0.49 -0.59 0.00 0.77 0.00 0.00 66.41 66.03 1pwx h THR 47 Cb 0.54 1.30 -0.39 0.00 -1.74 0.00 0.00 68.15 67.86 1pwx h THR 47 CO 0.12 0.12 -0.90 -1.22 0.37 0.00 0.00 175.52 174.00 1pwx n TYR 48 N -3.83 -0.06 0.60 3.16 4.02 -0.18 -4.97 117.16 115.91 1pwx n TYR 48 Ca -0.02 -3.52 0.03 0.00 -0.01 0.00 0.00 57.90 54.38 1pwx n TYR 48 Cb 0.22 0.06 0.16 0.00 -0.02 0.00 0.00 39.34 39.76 1pwx n TYR 48 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1pwx n PRO 49 N 2.57 0.30 0.00 -0.72 -0.04 -1.06 -1.96 135.00 134.09 1pwx n PRO 49 Ca 0.28 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1pwx n PRO 49 Cb 0.46 -1.28 -0.09 0.00 -0.04 0.00 0.00 33.50 32.54 1pwx n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pwx n GLN 50 N -0.78 0.43 -4.14 0.54 0.00 -1.26 -4.94 117.38 107.22 1pwx n GLN 50 Ca 0.04 -0.20 -0.27 0.00 0.00 0.00 0.00 57.00 56.57 1pwx n GLN 50 Cb 0.02 -1.47 -0.07 0.00 0.00 0.00 0.00 30.24 28.72 1pwx n GLN 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1pwx s LEU 51 N -2.86 3.53 -0.78 2.61 1.02 -0.83 -4.48 118.68 116.90 1pwx s LEU 51 Ca 0.10 -0.25 0.01 0.00 0.02 0.00 0.00 54.13 54.00 1pwx s LEU 51 Cb 0.16 -2.18 0.19 0.00 0.02 0.00 0.00 46.19 44.38 1pwx s LEU 51 CO 0.78 0.10 0.62 -0.54 0.02 0.00 0.00 176.35 177.33 1pwx s LYS 52 N -2.90 2.84 0.44 1.70 -0.14 0.43 -4.84 119.74 117.27 1pwx s LYS 52 Ca 0.29 -3.22 -0.25 0.00 -1.36 0.00 0.00 55.97 51.43 1pwx s LYS 52 Cb -0.10 -3.70 -0.09 0.00 -1.68 0.00 0.00 37.83 32.26 1pwx s LYS 52 CO 0.20 -1.26 1.29 -0.35 -0.76 0.00 0.00 175.35 174.48 1pwx n PRO 53 N 2.32 1.94 -4.26 -1.68 -0.04 -1.26 0.93 135.00 132.95 1pwx n PRO 53 Ca 0.19 0.69 -0.25 0.00 -0.04 0.00 0.00 63.50 64.09 1pwx n PRO 53 Cb 0.36 -2.43 -0.08 0.00 -0.04 0.00 0.00 33.50 31.31 1pwx n PRO 53 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1pwx s MET 54 N -2.30 2.15 -0.26 0.54 -1.94 0.23 -4.75 119.30 112.97 1pwx s MET 54 Ca 0.62 -1.88 -0.07 0.00 -1.71 0.00 0.00 55.69 52.65 1pwx s MET 54 Cb -0.49 -1.91 -0.14 0.00 2.01 0.00 0.00 34.83 34.31 1pwx s MET 54 CO 0.57 -0.06 -0.29 -1.13 -0.01 0.00 0.00 175.02 174.10 1pwx n SER 55 N -1.14 1.96 -2.64 3.03 3.41 -1.26 -4.72 113.62 112.26 1pwx n SER 55 Ca -0.02 0.13 -0.30 0.00 -0.26 0.00 0.00 58.87 58.42 1pwx n SER 55 Cb 0.65 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 1pwx n SER 55 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pwx n GLU 56 N -3.78 0.00 -0.01 4.33 4.71 -1.26 -4.63 120.64 119.99 1pwx n GLU 56 Ca -0.49 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 56.65 1pwx n GLU 56 Cb 0.92 -0.63 -0.03 0.00 -1.01 0.00 0.00 31.44 30.69 1pwx n GLU 56 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1pwx n GLN 57 N 0.63 2.72 -3.77 3.49 1.13 -1.26 -4.82 117.38 115.50 1pwx n GLN 57 Ca 0.11 -0.01 -0.32 0.00 -1.94 0.00 0.00 57.00 54.84 1pwx n GLN 57 Cb 0.14 -1.08 -0.05 0.00 0.11 0.00 0.00 30.24 29.36 1pwx n GLN 57 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1pwx s GLU 58 N -2.11 3.55 0.11 -1.09 0.41 -1.26 -4.94 118.70 113.36 1pwx s GLU 58 Ca -0.01 -0.21 -0.23 0.00 -0.41 0.00 0.00 54.97 54.11 1pwx s GLU 58 Cb 0.01 -2.95 -0.06 0.00 -1.78 0.00 0.00 34.13 29.35 1pwx s GLU 58 CO 0.13 0.54 1.39 -1.35 -0.49 0.00 0.00 175.26 175.48 1pwx h PRO 59 N 3.07 -0.10 0.00 0.39 0.11 -1.95 0.28 132.00 133.80 1pwx h PRO 59 Ca -0.46 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1pwx h PRO 59 Cb 1.17 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1pwx h PRO 59 CO 0.73 -0.07 -0.49 0.00 -0.21 0.00 0.00 178.00 177.96 1pwx h ALA 60 N -0.11 1.14 -0.09 -0.75 0.00 -1.92 -2.62 119.26 114.91 1pwx h ALA 60 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pwx h ALA 60 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pwx h ALA 60 CO -0.58 0.62 0.06 1.49 0.00 0.00 0.00 179.25 180.84 1pwx h GLU 61 N 0.00 0.11 0.16 0.00 4.81 -1.62 0.91 114.58 118.96 1pwx h GLU 61 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1pwx h GLU 61 Cb 0.90 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1pwx h GLU 61 CO 0.06 0.08 -0.08 1.25 -0.73 0.00 0.00 179.01 179.59 1pwx h LEU 62 N 0.12 -0.18 -1.15 1.64 5.85 -0.48 -2.55 115.31 118.56 1pwx h LEU 62 Ca 0.03 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.43 1pwx h LEU 62 Cb -0.01 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1pwx h LEU 62 CO -0.01 0.34 0.58 0.40 -0.34 0.00 0.00 178.44 179.42 1pwx h ILE 63 N -0.80 1.14 -0.06 4.05 2.04 -1.50 0.23 117.51 122.61 1pwx h ILE 63 Ca -0.02 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 1pwx h ILE 63 Cb 0.53 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1pwx h ILE 63 CO 0.04 0.20 -0.45 -0.33 0.00 0.00 0.00 178.15 177.61 1pwx h GLU 64 N 1.10 0.13 -0.03 2.37 4.39 -0.89 -1.80 114.58 119.85 1pwx h GLU 64 Ca 0.36 -0.07 -0.24 0.00 0.34 0.00 0.00 59.36 59.75 1pwx h GLU 64 Cb 0.04 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1pwx h GLU 64 CO -0.11 0.56 -0.91 0.00 -1.16 0.00 0.00 179.01 177.39 1pwx h ALA 65 N 1.44 0.15 0.00 3.43 0.00 -0.76 -2.61 119.26 120.91 1pwx h ALA 65 Ca 0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 1pwx h ALA 65 Cb 0.84 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1pwx h ALA 65 CO 0.06 0.62 -0.16 0.28 0.00 0.00 0.00 179.25 180.05 1pwx h VAL 66 N 0.33 0.47 0.01 0.00 2.07 -0.51 -1.84 116.25 116.77 1pwx h VAL 66 Ca -0.11 -0.85 -0.13 0.00 0.82 0.00 0.00 66.70 66.43 1pwx h VAL 66 Cb 1.57 1.60 0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1pwx h VAL 66 CO 0.18 0.16 -0.52 0.74 0.02 0.00 0.00 177.57 178.14 1pwx h THR 67 N 0.00 1.47 -0.30 2.57 2.02 -1.28 -1.33 112.91 116.06 1pwx h THR 67 Ca -0.00 -2.08 -0.17 0.00 0.77 0.00 0.00 66.41 64.92 1pwx h THR 67 Cb 0.59 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.69 1pwx h THR 67 CO 0.02 0.60 -0.50 0.28 0.37 0.00 0.00 175.52 176.28 1pwx h SER 68 N -0.23 0.92 0.14 4.18 0.02 -1.33 -1.27 113.55 115.98 1pwx h SER 68 Ca -0.07 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.40 1pwx h SER 68 Cb 1.26 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1pwx h SER 68 CO 0.10 1.25 -0.07 0.00 -1.14 0.00 0.00 176.83 176.98 1pwx h ALA 69 N 0.77 -0.19 -0.64 3.77 0.00 -1.46 -3.39 119.26 118.12 1pwx h ALA 69 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pwx h ALA 69 Cb 1.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pwx h ALA 69 CO 0.11 -0.19 0.00 0.66 0.00 0.00 0.00 179.25 179.83 1pwx n TYR 70 N -4.89 1.33 0.00 0.00 4.01 -0.50 -4.99 117.16 112.12 1pwx n TYR 70 Ca -0.04 -0.55 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 1pwx n TYR 70 Cb 0.14 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1pwx n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pwx n GLY 71 N 1.23 2.26 3.94 2.72 0.00 -0.48 -4.88 105.19 109.97 1pwx n GLY 71 Ca 0.24 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1pwx n GLY 71 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pwx s GLN 72 N 0.00 1.02 -0.50 1.61 -2.07 -1.24 -4.72 119.66 113.76 1pwx s GLN 72 Ca 0.00 -0.67 0.03 0.00 -1.82 0.00 0.00 55.36 52.91 1pwx s GLN 72 Cb 0.00 0.28 0.14 0.00 -1.09 0.00 0.00 33.01 32.34 1pwx s GLN 72 CO 0.00 -0.48 0.27 0.08 -1.32 0.00 0.00 175.29 173.84 1pwx s VAL 73 N -2.05 2.04 0.27 3.63 1.01 -1.26 -4.60 120.40 119.44 1pwx s VAL 73 Ca 0.25 -3.06 0.08 0.00 0.00 0.00 0.00 61.98 59.25 1pwx s VAL 73 Cb -0.02 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1pwx s VAL 73 CO 0.04 -0.87 1.62 0.44 0.00 0.00 0.00 175.10 176.32 1pwx h ASP 74 N 6.47 0.11 -4.29 3.32 5.19 -0.79 -3.45 116.42 122.98 1pwx h ASP 74 Ca -0.02 -0.06 -0.45 0.00 -0.62 0.00 0.00 57.03 55.88 1pwx h ASP 74 Cb 0.89 -0.03 -0.26 0.00 0.18 0.00 0.00 39.33 40.12 1pwx h ASP 74 CO 0.59 0.66 -0.80 -0.69 -3.12 0.00 0.00 179.24 175.89 1pwx s VAL 75 N -3.74 1.09 -0.05 -1.35 1.01 -1.02 -1.01 120.40 115.33 1pwx s VAL 75 Ca -0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1pwx s VAL 75 Cb 0.13 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1pwx s VAL 75 CO 0.77 0.08 0.02 -0.22 0.00 0.00 0.00 175.10 175.75 1pwx s LEU 76 N -0.91 0.62 -0.39 3.92 2.96 -0.51 -0.64 118.68 123.72 1pwx s LEU 76 Ca 0.02 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1pwx s LEU 76 Cb -0.07 -0.30 0.11 0.00 0.50 0.00 0.00 46.19 46.42 1pwx s LEU 76 CO 0.01 -0.18 0.16 -0.69 -1.32 0.00 0.00 176.35 174.33 1pwx s VAL 77 N 1.77 3.02 -1.10 1.68 1.01 0.66 0.26 120.40 127.71 1pwx s VAL 77 Ca 0.01 -2.13 -0.22 0.00 0.00 0.00 0.00 61.98 59.64 1pwx s VAL 77 Cb -0.13 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.18 1pwx s VAL 77 CO -0.04 -0.67 1.62 -0.55 0.00 0.00 0.00 175.10 175.47 1pwx s SER 78 N 1.58 6.34 -0.83 3.32 0.15 0.30 -2.59 113.70 121.98 1pwx s SER 78 Ca 0.09 -1.66 -0.25 0.00 0.70 0.00 0.00 55.95 54.83 1pwx s SER 78 Cb -0.22 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.54 1pwx s SER 78 CO -0.05 -1.66 1.50 0.21 1.20 0.00 0.00 173.24 174.44 1pwx s ASN 79 N 5.23 6.01 0.11 5.45 2.47 -1.26 -1.71 114.94 131.22 1pwx s ASN 79 Ca 0.53 -0.66 -0.02 0.00 0.42 0.00 0.00 52.86 53.13 1pwx s ASN 79 Cb 0.00 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.20 1pwx s ASN 79 CO -0.02 -1.93 0.29 -1.81 -3.72 0.00 0.00 177.10 169.91 1pwx s ASP 80 N 5.31 6.41 0.36 -4.21 1.01 -1.23 -4.15 116.67 120.17 1pwx s ASP 80 Ca 0.48 0.39 -0.05 0.00 0.71 0.00 0.00 52.55 54.07 1pwx s ASP 80 Cb -0.06 -2.01 0.02 0.00 1.01 0.00 0.00 42.92 41.88 1pwx s ASP 80 CO 0.06 0.11 0.56 0.27 0.21 0.00 0.00 175.17 176.38 1pwx s ILE 81 N -1.60 0.00 0.00 0.77 -0.00 -1.26 -4.86 121.20 114.25 1pwx s ILE 81 Ca 0.37 -1.45 0.00 0.00 -0.00 0.00 0.00 60.65 59.58 1pwx s ILE 81 Cb -0.12 -2.73 0.00 0.00 -0.00 0.00 0.00 42.46 39.60 1pwx s ILE 81 CO 0.27 0.00 0.00 0.33 -0.00 0.00 0.00 174.94 175.54 1pwx n PHE 82 N -0.57 0.00 -1.98 1.37 -0.00 -1.26 -4.52 117.46 110.49 1pwx n PHE 82 Ca -0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.04 1pwx n PHE 82 Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 40.06 1pwx n PHE 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1pwx s ALA 83 N -0.21 2.28 1.08 3.13 0.00 -1.26 -4.96 121.76 121.82 1pwx s ALA 83 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 1pwx s ALA 83 Cb 0.00 -4.24 0.24 0.00 0.00 0.00 0.00 23.12 19.12 1pwx s ALA 83 CO 0.00 -3.66 1.07 -1.25 0.00 0.00 0.00 175.76 171.92 1pwx s PRO 84 N 6.83 -0.31 0.02 0.00 0.04 -1.26 -5.07 135.00 135.25 1pwx s PRO 84 Ca 0.73 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1pwx s PRO 84 Cb -0.15 -1.60 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 1pwx s PRO 84 CO 0.24 -3.40 -0.03 -1.21 0.04 0.00 0.00 177.00 172.64 1pwx s GLU 85 N -4.51 0.27 -0.46 4.56 2.02 -1.26 -5.11 118.70 114.21 1pwx s GLU 85 Ca 0.68 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 55.23 1pwx s GLU 85 Cb -0.24 -0.01 0.12 0.00 0.10 0.00 0.00 34.13 34.10 1pwx s GLU 85 CO 0.62 -0.01 0.22 -0.06 0.02 0.00 0.00 175.26 176.06 1pwx s PHE 86 N -0.98 3.50 0.05 1.61 0.08 -1.23 -4.18 117.98 116.83 1pwx s PHE 86 Ca -0.10 -2.84 0.01 0.00 0.12 0.00 0.00 56.93 54.12 1pwx s PHE 86 Cb -0.07 -3.03 -0.03 0.00 -0.57 0.00 0.00 43.02 39.32 1pwx s PHE 86 CO -0.00 -0.88 -0.06 -0.65 -0.10 0.00 0.00 175.22 173.53 1pwx s GLN 87 N 0.46 0.58 0.27 0.44 -1.52 0.13 -4.96 119.66 115.07 1pwx s GLN 87 Ca 0.13 -0.96 -0.29 0.00 -1.95 0.00 0.00 55.36 52.28 1pwx s GLN 87 Cb -0.22 -0.10 -0.10 0.00 -0.22 0.00 0.00 33.01 32.38 1pwx s GLN 87 CO -0.04 -0.02 1.26 -2.14 -0.25 0.00 0.00 175.29 174.11 1pwx s PRO 88 N -2.57 4.43 0.50 2.91 0.02 -1.26 -4.43 135.00 134.60 1pwx s PRO 88 Ca -0.02 2.07 0.34 0.00 0.02 0.00 0.00 61.00 63.41 1pwx s PRO 88 Cb -0.03 -3.14 1.46 0.00 0.02 0.00 0.00 34.50 32.82 1pwx s PRO 88 CO -0.03 -0.13 1.75 0.97 -0.33 0.00 0.00 177.00 179.23 1pwx h ILE 89 N 3.29 0.36 0.00 2.83 2.10 -1.97 0.92 117.51 125.05 1pwx h ILE 89 Ca -0.47 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.44 1pwx h ILE 89 Cb 1.22 0.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.20 1pwx h ILE 89 CO 0.70 0.02 0.00 -0.90 -1.08 0.00 0.00 178.15 176.89 1pwx n ASP 90 N -4.30 0.00 -0.01 2.19 5.75 -1.26 -2.73 116.55 116.19 1pwx n ASP 90 Ca 0.29 -0.22 -0.01 0.00 -0.01 0.00 0.00 54.79 54.84 1pwx n ASP 90 Cb 1.27 -0.24 -0.11 0.00 -1.03 0.00 0.00 41.12 41.01 1pwx n ASP 90 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1pwx n LYS 91 N -1.24 0.64 -1.12 0.11 4.76 0.32 -4.93 118.16 116.70 1pwx n LYS 91 Ca 0.14 0.10 -0.29 0.00 -2.87 0.00 0.00 58.31 55.40 1pwx n LYS 91 Cb 0.19 -1.70 0.19 0.00 -1.84 0.00 0.00 35.03 31.87 1pwx n LYS 91 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1pwx s TYR 92 N -2.92 1.97 -0.01 2.13 1.51 -1.10 -4.97 117.35 113.96 1pwx s TYR 92 Ca -0.05 0.96 0.06 0.00 -1.01 0.00 0.00 57.07 57.03 1pwx s TYR 92 Cb 0.09 -3.27 -0.02 0.00 -0.11 0.00 0.00 41.96 38.65 1pwx s TYR 92 CO 0.83 -3.06 -0.21 0.00 -1.11 0.00 0.00 175.55 172.01 1pwx s ALA 93 N -2.94 2.41 0.52 3.71 0.00 -1.26 -5.01 121.76 119.20 1pwx s ALA 93 Ca 0.66 -1.10 0.25 0.00 0.00 0.00 0.00 51.96 51.77 1pwx s ALA 93 Cb -0.19 -0.72 1.38 0.00 0.00 0.00 0.00 23.12 23.59 1pwx s ALA 93 CO 0.58 0.55 1.97 0.28 0.00 0.00 0.00 175.76 179.14 1pwx h VAL 94 N 4.32 0.71 -0.54 0.00 2.07 -1.96 -0.72 116.25 120.13 1pwx h VAL 94 Ca -0.45 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1pwx h VAL 94 Cb 1.14 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1pwx h VAL 94 CO 0.48 0.01 0.36 -0.33 0.02 0.00 0.00 177.57 178.10 1pwx h GLU 95 N 0.04 0.71 -0.50 1.57 3.07 -2.00 -2.24 114.58 115.23 1pwx h GLU 95 Ca 0.29 -0.04 0.15 0.00 -0.50 0.00 0.00 59.36 59.25 1pwx h GLU 95 Cb 1.10 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 1pwx h GLU 95 CO -0.01 0.47 0.47 -0.44 -1.40 0.00 0.00 179.01 178.10 1pwx h ASP 96 N 0.73 0.00 0.57 1.42 3.32 -1.53 0.13 116.42 121.07 1pwx h ASP 96 Ca 0.20 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.96 1pwx h ASP 96 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1pwx h ASP 96 CO -0.04 0.00 -1.32 0.22 -1.72 0.00 0.00 179.24 176.38 1pwx h TYR 97 N 0.00 0.51 0.00 4.55 3.20 -1.47 -2.56 116.97 121.20 1pwx h TYR 97 Ca 0.24 -0.37 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 1pwx h TYR 97 Cb 1.18 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 1pwx h TYR 97 CO 0.00 1.32 -0.12 0.00 -1.64 0.00 0.00 178.16 177.72 1pwx h ARG 98 N 0.08 0.00 0.00 1.82 3.08 -0.69 0.40 114.38 119.07 1pwx h ARG 98 Ca -0.16 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.77 1pwx h ARG 98 Cb 1.99 0.00 0.01 0.00 0.08 0.00 0.00 29.97 32.05 1pwx h ARG 98 CO 0.20 0.12 -0.47 0.78 -1.07 0.00 0.00 179.97 179.53 1pwx h GLY 99 N 1.68 0.35 0.77 0.04 0.00 -1.14 0.67 103.07 105.44 1pwx h GLY 99 Ca -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1pwx h GLY 99 CO 0.02 0.55 -0.25 0.00 0.00 0.00 0.00 176.54 176.85 1pwx h ALA 100 N 0.29 -0.69 -0.38 3.60 0.00 -1.01 -2.46 119.26 118.60 1pwx h ALA 100 Ca -0.06 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.74 1pwx h ALA 100 Cb 1.20 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 1pwx h ALA 100 CO 0.09 -0.77 -0.16 0.28 0.00 0.00 0.00 179.25 178.69 1pwx h VAL 101 N -0.93 0.49 -0.04 0.00 2.07 -0.33 0.15 116.25 117.67 1pwx h VAL 101 Ca -0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1pwx h VAL 101 Cb 0.61 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1pwx h VAL 101 CO 0.12 0.00 -0.30 -0.08 0.02 0.00 0.00 177.57 177.32 1pwx h GLU 102 N -0.09 -0.41 -0.00 1.57 4.57 -0.84 -0.50 114.58 118.89 1pwx h GLU 102 Ca 0.19 0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.22 1pwx h GLU 102 Cb 0.37 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 1pwx h GLU 102 CO -0.44 -0.28 -0.82 0.00 -1.18 0.00 0.00 179.01 176.30 1pwx h ALA 103 N 0.35 0.64 0.00 2.92 0.00 -1.18 -0.87 119.26 121.12 1pwx h ALA 103 Ca 0.07 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1pwx h ALA 103 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pwx h ALA 103 CO -0.28 0.96 -0.96 -0.07 0.00 0.00 0.00 179.25 178.90 1pwx h LEU 104 N 0.04 0.00 0.00 0.00 3.38 -0.64 -3.37 115.31 114.72 1pwx h LEU 104 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pwx h LEU 104 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1pwx h LEU 104 CO 0.11 0.03 -0.59 0.00 0.09 0.00 0.00 178.44 178.08 1pwx n GLN 105 N -2.72 0.00 -0.15 1.13 6.02 -0.26 -4.54 117.38 116.86 1pwx n GLN 105 Ca -0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1pwx n GLN 105 Cb 0.57 -0.79 0.03 0.00 1.02 0.00 0.00 30.24 31.07 1pwx n GLN 105 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1pwx h ILE 106 N 0.00 1.27 0.00 5.09 1.08 -0.58 -2.27 117.51 122.10 1pwx h ILE 106 Ca 0.00 -1.34 -0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1pwx h ILE 106 Cb 0.59 1.10 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1pwx h ILE 106 CO 0.00 0.46 -0.00 -0.09 -0.69 0.00 0.00 178.15 177.83 1pwx h ARG 107 N 0.83 -0.00 -0.63 2.37 9.65 -1.37 -2.10 114.38 123.12 1pwx h ARG 107 Ca 0.11 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 1pwx h ARG 107 Cb 0.75 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.30 1pwx h ARG 107 CO 0.06 0.29 0.29 -1.00 2.80 0.00 0.00 179.97 182.42 1pwx h PRO 108 N -0.30 0.89 -0.49 0.20 0.13 -1.81 -2.42 132.00 128.20 1pwx h PRO 108 Ca -0.00 -0.12 -0.13 0.00 -0.87 0.00 0.00 66.00 64.88 1pwx h PRO 108 Cb 0.30 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 1pwx h PRO 108 CO 0.00 0.70 -0.19 0.35 -0.23 0.00 0.00 178.00 178.63 1pwx h PHE 109 N 0.89 1.13 -0.63 1.56 3.04 -1.41 -2.64 116.94 118.89 1pwx h PHE 109 Ca 0.22 -0.27 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 1pwx h PHE 109 Cb 0.11 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.32 1pwx h PHE 109 CO 0.01 1.09 0.27 0.00 -2.02 0.00 0.00 178.31 177.66 1pwx h ALA 110 N 0.88 1.28 0.23 2.41 0.00 -1.12 0.15 119.26 123.09 1pwx h ALA 110 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pwx h ALA 110 Cb 0.76 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pwx h ALA 110 CO 0.06 0.54 -0.11 -0.07 0.00 0.00 0.00 179.25 179.67 1pwx h LEU 111 N 0.91 -0.27 -1.25 0.00 3.38 -1.37 -2.39 115.31 114.32 1pwx h LEU 111 Ca 0.22 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1pwx h LEU 111 Cb 0.15 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1pwx h LEU 111 CO -0.02 0.20 0.53 0.58 0.09 0.00 0.00 178.44 179.82 1pwx h VAL 112 N -0.83 1.07 0.00 1.22 2.07 -1.43 0.56 116.25 118.91 1pwx h VAL 112 Ca -0.03 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1pwx h VAL 112 Cb 0.51 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1pwx h VAL 112 CO 0.05 0.17 -0.04 -1.13 0.02 0.00 0.00 177.57 176.64 1pwx h ASN 113 N 0.93 0.00 0.01 0.57 -0.00 -0.94 0.19 115.58 116.34 1pwx h ASN 113 Ca 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.64 1pwx h ASN 113 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.48 1pwx h ASN 113 CO -0.11 0.04 -0.00 0.00 -0.00 0.00 0.00 177.43 177.35 1pwx h ALA 114 N 1.96 -0.01 0.03 1.57 0.00 0.58 -3.41 119.26 119.99 1pwx h ALA 114 Ca -0.00 -0.40 -0.26 0.00 0.00 0.00 0.00 54.91 54.25 1pwx h ALA 114 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1pwx h ALA 114 CO 0.00 -0.03 -1.37 -0.24 0.00 0.00 0.00 179.25 177.61 1pwx h VAL 115 N -0.96 1.29 -0.70 0.00 3.04 -0.79 -3.40 116.25 114.73 1pwx h VAL 115 Ca -0.00 -3.02 0.07 0.00 -1.01 0.00 0.00 66.70 62.74 1pwx h VAL 115 Cb 0.80 2.69 -0.09 0.00 -2.01 0.00 0.00 31.29 32.68 1pwx h VAL 115 CO 0.00 0.78 -0.39 0.00 -1.01 0.00 0.00 177.57 176.95 1pwx n ALA 116 N -2.50 -0.39 -0.36 3.17 0.00 0.65 -1.70 120.51 119.38 1pwx n ALA 116 Ca -0.10 0.61 -0.01 0.00 0.00 0.00 0.00 53.44 53.94 1pwx n ALA 116 Cb 1.00 -0.13 0.04 0.00 0.00 0.00 0.00 19.45 20.37 1pwx n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pwx h SER 117 N 0.00 -1.36 -0.40 0.00 0.87 -1.82 0.10 113.55 110.93 1pwx h SER 117 Ca 0.13 0.30 -0.12 0.00 -1.23 0.00 0.00 61.79 60.88 1pwx h SER 117 Cb 0.31 0.72 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 1pwx h SER 117 CO -0.66 -0.29 -0.17 0.06 -0.53 0.00 0.00 176.83 175.23 1pwx h GLN 118 N -0.02 0.89 -0.61 2.24 3.07 -1.62 -2.17 115.11 116.88 1pwx h GLN 118 Ca 0.34 -0.34 -0.07 0.00 0.09 0.00 0.00 58.65 58.66 1pwx h GLN 118 Cb 0.60 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.09 1pwx h GLN 118 CO -0.95 0.99 0.09 0.52 0.09 0.00 0.00 178.83 179.57 1pwx h MET 119 N 0.78 1.01 -0.64 0.06 2.86 -1.29 -2.27 114.93 115.45 1pwx h MET 119 Ca 0.11 -0.27 0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1pwx h MET 119 Cb 0.71 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1pwx h MET 119 CO 0.05 0.95 0.37 0.87 1.06 0.00 0.00 176.91 180.21 1pwx h LYS 120 N 0.92 0.68 -0.06 1.72 1.57 -0.80 0.76 116.57 121.36 1pwx h LYS 120 Ca 0.18 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1pwx h LYS 120 Cb 0.43 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1pwx h LYS 120 CO 0.01 0.45 -0.49 0.87 -0.57 0.00 0.00 179.45 179.72 1pwx h LYS 121 N 0.70 0.15 -0.65 3.15 1.57 -1.19 -2.82 116.57 117.48 1pwx h LYS 121 Ca 0.27 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1pwx h LYS 121 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1pwx h LYS 121 CO -0.15 0.61 0.00 2.89 -0.57 0.00 0.00 179.45 182.23 1pwx n ARG 122 N -3.96 4.02 -2.64 3.15 1.85 -0.87 -4.93 116.66 113.28 1pwx n ARG 122 Ca -0.02 -2.93 -0.12 0.00 -1.00 0.00 0.00 57.85 53.79 1pwx n ARG 122 Cb 0.52 -1.99 -0.02 0.00 -1.05 0.00 0.00 32.46 29.92 1pwx n ARG 122 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1pwx n LYS 123 N 1.01 -1.87 -3.75 2.89 5.02 0.21 -4.85 118.16 116.82 1pwx n LYS 123 Ca 0.26 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.46 1pwx n LYS 123 Cb 0.97 -3.42 -0.11 0.00 -0.02 0.00 0.00 35.03 32.45 1pwx n LYS 123 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pwx s SER 124 N -1.93 -0.37 0.00 4.39 0.15 -0.88 -4.45 113.70 110.61 1pwx s SER 124 Ca 0.23 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1pwx s SER 124 Cb -0.13 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1pwx s SER 124 CO 0.28 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1pwx n GLY 125 N 2.98 3.29 2.76 9.45 0.00 -1.26 -4.49 105.19 117.93 1pwx n GLY 125 Ca -0.14 -0.87 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 1pwx n GLY 125 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pwx s HIS 126 N -2.00 0.30 -0.16 1.61 3.76 -0.18 -3.54 115.29 115.08 1pwx s HIS 126 Ca 0.00 0.05 -0.02 0.00 -0.15 0.00 0.00 55.06 54.94 1pwx s HIS 126 Cb 0.00 -0.51 -0.01 0.00 1.11 0.00 0.00 32.58 33.16 1pwx s HIS 126 CO 0.00 -0.19 -0.09 0.42 -0.85 0.00 0.00 174.74 174.03 1pwx s ILE 127 N 1.60 3.28 -0.02 0.60 1.01 -0.52 -1.42 121.20 125.72 1pwx s ILE 127 Ca -0.02 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.14 1pwx s ILE 127 Cb -0.13 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 1pwx s ILE 127 CO -0.03 0.49 -0.22 -0.63 0.00 0.00 0.00 174.94 174.55 1pwx s ILE 128 N 0.72 1.76 -0.09 2.92 1.01 0.14 -0.63 121.20 127.03 1pwx s ILE 128 Ca -0.04 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.69 1pwx s ILE 128 Cb -0.15 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.84 1pwx s ILE 128 CO 0.02 0.50 -0.19 -0.36 0.00 0.00 0.00 174.94 174.91 1pwx s PHE 129 N -0.47 2.65 -0.44 3.97 2.99 0.13 -0.54 117.98 126.26 1pwx s PHE 129 Ca 0.07 -0.70 -0.12 0.00 0.00 0.00 0.00 56.93 56.18 1pwx s PHE 129 Cb -0.09 -1.72 0.07 0.00 0.00 0.00 0.00 43.02 41.28 1pwx s PHE 129 CO -0.00 -0.21 0.32 0.42 -0.00 0.00 0.00 175.22 175.74 1pwx s ILE 130 N 0.08 4.67 0.00 0.64 -1.09 -0.70 -0.26 121.20 124.55 1pwx s ILE 130 Ca -0.08 -1.24 0.00 0.00 -2.23 0.00 0.00 60.65 57.10 1pwx s ILE 130 Cb -0.15 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1pwx s ILE 130 CO 0.05 -0.53 0.00 0.35 -1.23 0.00 0.00 174.94 173.59 1pwx n THR 131 N 5.04 0.00 -3.83 2.92 -2.24 0.10 -3.53 114.28 112.75 1pwx n THR 131 Ca -0.11 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1pwx n THR 131 Cb 0.43 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 1pwx n THR 131 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1pwx s SER 132 N -0.18 -0.08 0.00 3.42 0.15 -1.26 -4.17 113.70 111.59 1pwx s SER 132 Ca 0.00 -0.64 0.23 0.00 0.70 0.00 0.00 55.95 56.25 1pwx s SER 132 Cb 0.00 0.47 0.42 0.00 -1.71 0.00 0.00 66.02 65.20 1pwx s SER 132 CO 0.00 -0.91 1.39 0.00 1.20 0.00 0.00 173.24 174.93 1pwx n ALA 133 N -0.23 2.44 -0.25 5.45 0.00 -0.78 -4.48 120.51 122.66 1pwx n ALA 133 Ca -0.11 -0.87 0.09 0.00 0.00 0.00 0.00 53.44 52.55 1pwx n ALA 133 Cb 0.63 -0.89 0.35 0.00 0.00 0.00 0.00 19.45 19.54 1pwx n ALA 133 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1pwx h THR 134 N 4.28 0.93 0.00 0.00 1.35 -1.90 -0.81 112.91 116.77 1pwx h THR 134 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1pwx h THR 134 Cb 0.93 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1pwx h THR 134 CO 0.00 0.14 0.00 -2.65 -0.25 0.00 0.00 175.52 172.76 1pwx n PRO 135 N -4.52 0.29 -0.08 4.72 -0.02 -1.26 -0.58 135.00 133.54 1pwx n PRO 135 Ca 0.15 0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.62 1pwx n PRO 135 Cb 0.35 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.18 1pwx n PRO 135 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1pwx n PHE 136 N -1.17 0.28 -2.98 6.00 -0.00 -0.31 -4.68 117.46 114.60 1pwx n PHE 136 Ca 0.08 0.10 -0.14 0.00 -0.00 0.00 0.00 57.45 57.48 1pwx n PHE 136 Cb 0.08 -1.05 0.02 0.00 -0.00 0.00 0.00 39.48 38.53 1pwx n PHE 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pwx n GLY 137 N 1.72 2.08 3.05 7.13 0.00 -0.94 -5.03 105.19 113.20 1pwx n GLY 137 Ca -0.29 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 1pwx n GLY 137 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pwx n PRO 138 N 0.57 -0.22 -4.75 1.61 -0.02 0.25 -4.88 135.00 127.56 1pwx n PRO 138 Ca 0.16 -0.06 -0.28 0.00 -2.02 0.00 0.00 63.50 61.30 1pwx n PRO 138 Cb 0.66 -1.12 -0.14 0.00 -0.02 0.00 0.00 33.50 32.88 1pwx n PRO 138 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1pwx s TRP 139 N -2.04 2.04 0.61 6.00 0.51 -1.26 -5.09 118.94 119.71 1pwx s TRP 139 Ca 0.40 -0.39 -0.19 0.00 -2.12 0.00 0.00 56.10 53.80 1pwx s TRP 139 Cb 0.02 -1.22 -0.03 0.00 -0.81 0.00 0.00 33.47 31.44 1pwx s TRP 139 CO 0.69 0.11 1.31 0.15 -0.51 0.00 0.00 176.95 178.70 1pwx s LYS 140 N -1.22 2.77 -1.36 4.98 1.02 -1.26 -2.84 119.74 121.83 1pwx s LYS 140 Ca 0.09 2.11 0.00 0.00 0.02 0.00 0.00 55.97 58.20 1pwx s LYS 140 Cb -0.09 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 1pwx s LYS 140 CO 0.02 -1.44 0.00 0.39 -0.92 0.00 0.00 175.35 173.40 1pwx n GLU 141 N -1.59 -1.24 -0.66 1.68 1.02 -1.26 -4.81 120.64 113.78 1pwx n GLU 141 Ca 0.14 0.93 0.02 0.00 -0.02 0.00 0.00 57.16 58.23 1pwx n GLU 141 Cb 0.47 -5.12 0.20 0.00 -0.02 0.00 0.00 31.44 26.97 1pwx n GLU 141 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1pwx n LEU 142 N -1.46 3.26 -0.20 -4.62 7.94 -1.13 0.21 117.00 121.00 1pwx n LEU 142 Ca -0.13 -3.81 0.21 0.00 -1.11 0.00 0.00 56.01 51.17 1pwx n LEU 142 Cb 0.51 -0.57 0.58 0.00 0.53 0.00 0.00 43.42 44.47 1pwx n LEU 142 CO 0.20 1.31 1.23 0.77 -1.11 0.00 0.00 177.39 179.79 1pwx h SER 143 N 0.97 0.27 0.00 1.96 4.64 -1.82 -1.33 113.55 118.24 1pwx h SER 143 Ca 0.09 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1pwx h SER 143 Cb 1.26 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1pwx h SER 143 CO 0.15 0.11 0.00 0.35 -0.87 0.00 0.00 176.83 176.57 1pwx n THR 144 N -4.44 0.00 -0.09 2.95 -2.24 -1.26 -2.68 114.28 106.52 1pwx n THR 144 Ca 0.18 0.90 -0.06 0.00 -2.27 0.00 0.00 64.05 62.80 1pwx n THR 144 Cb 0.75 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 1pwx n THR 144 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1pwx h TYR 145 N 0.00 -0.37 0.06 4.78 5.03 -1.87 0.21 116.97 124.81 1pwx h TYR 145 Ca 0.00 0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.37 1pwx h TYR 145 Cb 0.00 0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.45 1pwx h TYR 145 CO 0.08 -0.23 -0.32 1.15 -1.32 0.00 0.00 178.16 177.53 1pwx h THR 146 N -0.09 0.32 -0.19 1.81 2.02 -1.40 -0.05 112.91 115.32 1pwx h THR 146 Ca 0.17 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 1pwx h THR 146 Cb 0.35 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1pwx h THR 146 CO -0.40 0.00 0.07 0.77 0.37 0.00 0.00 175.52 176.33 1pwx h SER 147 N -0.51 0.27 -0.63 4.18 4.64 -1.27 -2.53 113.55 117.71 1pwx h SER 147 Ca 0.05 -0.17 0.13 0.00 -0.47 0.00 0.00 61.79 61.32 1pwx h SER 147 Cb 0.56 -0.07 -0.11 0.00 -0.31 0.00 0.00 62.40 62.47 1pwx h SER 147 CO -0.22 0.37 -0.04 0.00 -0.87 0.00 0.00 176.83 176.06 1pwx h ALA 148 N 0.91 0.57 -0.95 5.18 0.00 -0.31 0.19 119.26 124.85 1pwx h ALA 148 Ca 0.06 0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1pwx h ALA 148 Cb 0.18 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1pwx h ALA 148 CO -0.00 -0.41 0.61 0.00 0.00 0.00 0.00 179.25 179.45 1pwx h ARG 149 N 0.08 1.10 -0.97 0.00 2.47 -0.80 -2.06 114.38 114.21 1pwx h ARG 149 Ca 0.32 -0.07 0.16 0.00 -1.26 0.00 0.00 59.98 59.14 1pwx h ARG 149 Cb 0.52 -0.25 -0.10 0.00 -1.65 0.00 0.00 29.97 28.49 1pwx h ARG 149 CO -0.57 0.73 0.58 0.00 0.56 0.00 0.00 179.97 181.27 1pwx h ALA 150 N 1.42 1.55 0.00 0.04 0.00 -0.20 0.43 119.26 122.50 1pwx h ALA 150 Ca 0.40 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 1pwx h ALA 150 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1pwx h ALA 150 CO -0.15 0.01 -0.22 0.78 0.00 0.00 0.00 179.25 179.67 1pwx h GLY 151 N 0.79 0.00 0.24 0.00 0.00 -1.07 0.16 103.07 103.19 1pwx h GLY 151 Ca 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.84 1pwx h GLY 151 CO -0.35 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.06 1pwx h ALA 152 N 1.78 0.00 -0.54 3.60 0.00 -0.24 0.74 119.26 124.61 1pwx h ALA 152 Ca -0.00 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.53 1pwx h ALA 152 Cb 0.69 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1pwx h ALA 152 CO 0.03 0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.40 1pwx h THR 154 N 0.23 1.39 -0.09 0.00 2.02 -0.97 -3.03 112.91 112.47 1pwx h THR 154 Ca 0.27 -2.12 0.04 0.00 0.77 0.00 0.00 66.41 65.37 1pwx h THR 154 Cb 0.39 2.10 -0.05 0.00 -1.74 0.00 0.00 68.15 68.84 1pwx h THR 154 CO -0.36 0.63 -0.21 0.25 0.37 0.00 0.00 175.52 176.20 1pwx h LEU 155 N 0.24 -0.65 -0.61 2.58 6.46 0.16 0.57 115.31 124.06 1pwx h LEU 155 Ca -0.02 0.10 0.11 0.00 -0.12 0.00 0.00 57.88 57.95 1pwx h LEU 155 Cb 1.26 0.29 -0.08 0.00 -0.73 0.00 0.00 40.66 41.39 1pwx h LEU 155 CO 0.12 -0.27 0.16 0.00 -0.62 0.00 0.00 178.44 177.82 1pwx h ALA 156 N 0.66 0.74 -0.54 1.25 0.00 -1.17 -2.74 119.26 117.46 1pwx h ALA 156 Ca 0.09 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1pwx h ALA 156 Cb 0.42 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1pwx h ALA 156 CO -0.26 -0.28 -0.04 -0.97 0.00 0.00 0.00 179.25 177.71 1pwx h ASN 157 N 0.30 0.97 -0.87 0.00 -0.73 -1.16 -3.05 115.58 111.03 1pwx h ASN 157 Ca 0.32 -0.32 -0.00 0.00 1.87 0.00 0.00 56.30 58.16 1pwx h ASN 157 Cb 0.46 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.75 1pwx h ASN 157 CO -0.38 1.06 0.53 0.00 -0.37 0.00 0.00 177.43 178.27 1pwx h ALA 158 N 0.94 1.28 0.28 1.57 0.00 -0.64 -3.20 119.26 119.50 1pwx h ALA 158 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1pwx h ALA 158 Cb 0.59 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pwx h ALA 158 CO 0.04 0.62 -0.13 -0.07 0.00 0.00 0.00 179.25 179.70 1pwx h LEU 159 N 1.21 -0.32 -0.99 0.00 3.38 -1.43 -3.16 115.31 113.99 1pwx h LEU 159 Ca 0.31 -0.11 0.17 0.00 0.09 0.00 0.00 57.88 58.35 1pwx h LEU 159 Cb -0.05 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1pwx h LEU 159 CO -0.06 -0.08 0.98 0.77 0.09 0.00 0.00 178.44 180.14 1pwx h SER 160 N -0.55 0.00 -0.10 -0.43 4.64 -1.52 -0.55 113.55 115.03 1pwx h SER 160 Ca -0.04 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1pwx h SER 160 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1pwx h SER 160 CO 0.06 0.00 -0.28 0.11 -0.87 0.00 0.00 176.83 175.85 1pwx h LYS 161 N 0.00 0.37 0.06 4.77 1.79 -1.69 -2.90 116.57 118.97 1pwx h LYS 161 Ca 0.28 -0.26 -0.26 0.00 -2.18 0.00 0.00 60.65 58.24 1pwx h LYS 161 Cb 2.24 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 32.91 1pwx h LYS 161 CO -0.00 0.88 -1.24 1.05 -1.08 0.00 0.00 179.45 179.05 1pwx h GLU 162 N -0.08 0.13 -0.00 3.15 4.11 -1.29 -3.29 114.58 117.30 1pwx h GLU 162 Ca -0.01 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1pwx h GLU 162 Cb 0.89 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1pwx h GLU 162 CO 0.06 1.04 -0.00 1.28 0.07 0.00 0.00 179.01 181.45 1pwx n LEU 163 N -3.39 0.03 0.15 3.06 4.77 -0.95 -3.51 117.00 117.17 1pwx n LEU 163 Ca -0.07 0.15 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1pwx n LEU 163 Cb 1.00 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.99 1pwx n LEU 163 CO 0.49 0.01 0.49 1.23 -1.33 0.00 0.00 177.39 178.28 1pwx h GLY 164 N 5.00 0.00 2.00 -0.72 0.00 -1.58 0.22 103.07 107.99 1pwx h GLY 164 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pwx h GLY 164 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.54 177.59 1pwx h GLU 165 N 0.00 0.00 -0.16 4.80 9.09 -1.76 -2.62 114.58 123.93 1pwx h GLU 165 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1pwx h GLU 165 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1pwx h GLU 165 CO 0.04 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.76 1pwx n TYR 166 N -2.82 0.18 -3.20 2.06 4.01 -1.09 -4.99 117.16 111.31 1pwx n TYR 166 Ca 0.03 -0.09 -0.14 0.00 -0.16 0.00 0.00 57.90 57.53 1pwx n TYR 166 Cb 0.38 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.49 1pwx n TYR 166 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1pwx n ASN 167 N 1.29 -2.50 -3.81 7.72 5.15 -0.97 -3.73 115.26 118.41 1pwx n ASN 167 Ca 0.16 -0.54 -0.29 0.00 -0.60 0.00 0.00 54.58 53.31 1pwx n ASN 167 Cb 0.58 -4.47 -0.16 0.00 -0.53 0.00 0.00 39.78 35.20 1pwx n ASN 167 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pwx s ILE 168 N -3.31 0.95 0.47 -1.44 1.01 0.72 -3.99 121.20 115.61 1pwx s ILE 168 Ca 0.05 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 1pwx s ILE 168 Cb -0.01 -1.42 -0.09 0.00 0.01 0.00 0.00 42.46 40.95 1pwx s ILE 168 CO 0.63 -0.25 0.95 -2.84 0.00 0.00 0.00 174.94 173.43 1pwx s PRO 169 N 1.65 4.06 -0.08 2.79 0.02 -1.23 -4.01 135.00 138.19 1pwx s PRO 169 Ca -0.01 0.99 -0.01 0.00 0.02 0.00 0.00 61.00 61.99 1pwx s PRO 169 Cb -0.18 -2.18 0.03 0.00 0.02 0.00 0.00 34.50 32.19 1pwx s PRO 169 CO -0.10 -0.14 -0.00 0.08 -0.33 0.00 0.00 177.00 176.50 1pwx s VAL 170 N -2.40 0.44 0.15 3.83 1.01 -1.26 -1.44 120.40 120.73 1pwx s VAL 170 Ca 0.60 0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.75 1pwx s VAL 170 Cb -0.10 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1pwx s VAL 170 CO 0.23 0.25 -0.25 -0.36 0.00 0.00 0.00 175.10 174.97 1pwx s PHE 171 N 1.94 2.32 -0.16 5.22 0.40 0.20 -1.02 117.98 126.88 1pwx s PHE 171 Ca 0.05 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1pwx s PHE 171 Cb -0.12 -1.21 0.02 0.00 0.51 0.00 0.00 43.02 42.21 1pwx s PHE 171 CO -0.06 0.41 -0.21 0.00 0.70 0.00 0.00 175.22 176.06 1pwx s ALA 172 N -1.31 2.28 -0.34 5.36 0.00 -0.26 -0.69 121.76 126.80 1pwx s ALA 172 Ca 0.17 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 1pwx s ALA 172 Cb -0.09 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 21.95 1pwx s ALA 172 CO 0.08 -0.23 0.13 0.42 0.00 0.00 0.00 175.76 176.16 1pwx s ILE 173 N 1.11 4.07 -0.71 0.00 1.09 0.64 0.84 121.20 128.25 1pwx s ILE 173 Ca 0.00 -0.95 -0.08 0.00 -1.10 0.00 0.00 60.65 58.52 1pwx s ILE 173 Cb -0.14 -3.25 0.18 0.00 -1.06 0.00 0.00 42.46 38.19 1pwx s ILE 173 CO -0.09 -0.14 0.58 -0.83 -0.10 0.00 0.00 174.94 174.36 1pwx s GLY 174 N 1.47 2.55 0.62 6.18 0.00 0.13 0.03 107.32 118.29 1pwx s GLY 174 Ca 0.00 -3.24 0.06 0.00 0.00 0.00 0.00 44.72 41.54 1pwx s GLY 174 CO 0.04 1.17 0.85 2.56 0.00 0.00 0.00 173.10 177.73 1pwx s PRO 175 N 0.13 2.11 -0.23 2.90 0.04 -1.26 -1.50 135.00 137.18 1pwx s PRO 175 Ca 0.17 -1.41 -0.26 0.00 0.04 0.00 0.00 61.00 59.53 1pwx s PRO 175 Cb -0.16 -2.54 0.09 0.00 0.04 0.00 0.00 34.50 31.93 1pwx s PRO 175 CO -0.06 -1.04 0.80 1.21 0.04 0.00 0.00 177.00 177.95 1pwx s ASN 176 N -4.67 -0.64 -1.13 6.66 2.47 -0.84 -1.87 114.94 114.92 1pwx s ASN 176 Ca 0.63 1.13 0.00 0.00 0.42 0.00 0.00 52.86 55.04 1pwx s ASN 176 Cb -0.06 1.11 0.00 0.00 -1.45 0.00 0.00 41.25 40.85 1pwx s ASN 176 CO 0.41 -0.29 0.00 -1.22 -3.72 0.00 0.00 177.10 172.27 1pwx n TYR 177 N 2.16 -0.62 -3.10 0.43 0.53 -1.26 -4.55 117.16 110.76 1pwx n TYR 177 Ca -0.14 0.00 -0.45 0.00 -1.02 0.00 0.00 57.90 56.29 1pwx n TYR 177 Cb 0.56 -2.87 -0.03 0.00 -1.03 0.00 0.00 39.34 35.96 1pwx n TYR 177 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1pwx s LEU 178 N -3.78 5.56 -0.37 7.72 2.96 -1.26 -0.67 118.68 128.85 1pwx s LEU 178 Ca 0.00 -1.88 -0.43 0.00 -0.22 0.00 0.00 54.13 51.60 1pwx s LEU 178 Cb 0.00 -2.31 -0.19 0.00 0.50 0.00 0.00 46.19 44.18 1pwx s LEU 178 CO 0.00 -0.99 1.41 1.57 -1.32 0.00 0.00 176.35 177.02 1pwx n HIS 179 N 5.92 1.43 -1.67 5.38 -0.00 -1.05 -4.36 115.22 120.88 1pwx n HIS 179 Ca 0.06 1.08 -0.10 0.00 -0.00 0.00 0.00 57.72 58.76 1pwx n HIS 179 Cb 0.46 -2.10 0.14 0.00 -0.00 0.00 0.00 29.99 28.48 1pwx n HIS 179 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1pwx n SER 180 N 3.27 3.42 0.00 0.26 3.41 0.22 -4.39 113.62 119.81 1pwx n SER 180 Ca 0.27 -3.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.07 1pwx n SER 180 Cb -0.03 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 1pwx n SER 180 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pwx n GLU 181 N -0.98 0.00 0.00 4.33 4.71 -1.26 -0.60 120.64 126.84 1pwx n GLU 181 Ca 0.35 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.57 1pwx n GLU 181 Cb 0.89 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 31.32 1pwx n GLU 181 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1pwx n ASP 182 N 8.38 1.47 -4.65 1.62 8.00 -1.26 -0.79 116.55 129.32 1pwx n ASP 182 Ca 0.00 -1.23 -0.43 0.00 0.71 0.00 0.00 54.79 53.84 1pwx n ASP 182 Cb 0.00 0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 41.55 1pwx n ASP 182 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1pwx s SER 183 N -1.69 6.94 0.00 -2.24 0.15 0.23 -4.88 113.70 112.21 1pwx s SER 183 Ca 0.11 1.29 0.09 0.00 0.70 0.00 0.00 55.95 58.15 1pwx s SER 183 Cb 0.11 -2.54 0.55 0.00 -1.71 0.00 0.00 66.02 62.43 1pwx s SER 183 CO 0.35 -0.83 1.03 -0.81 1.20 0.00 0.00 173.24 174.18 1pwx n PRO 184 N 6.73 0.58 -3.52 5.44 -0.04 -1.26 -3.08 135.00 139.85 1pwx n PRO 184 Ca 0.13 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.18 1pwx n PRO 184 Cb 0.46 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 1pwx n PRO 184 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pwx s TYR 185 N -2.00 3.89 -0.01 0.54 2.02 -1.26 -4.23 117.35 116.30 1pwx s TYR 185 Ca 0.14 -2.71 0.01 0.00 -0.37 0.00 0.00 57.07 54.14 1pwx s TYR 185 Cb 0.06 -3.49 0.02 0.00 -0.40 0.00 0.00 41.96 38.15 1pwx s TYR 185 CO 0.11 -0.86 0.75 1.19 -1.57 0.00 0.00 175.55 175.17 1pwx n PHE 186 N 2.91 0.00 -3.21 2.71 3.01 -1.26 -1.37 117.46 120.25 1pwx n PHE 186 Ca 0.18 -0.20 -0.23 0.00 1.01 0.00 0.00 57.45 58.21 1pwx n PHE 186 Cb 0.39 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.77 1pwx n PHE 186 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1pwx n TYR 187 N -0.23 0.89 -2.01 1.38 4.02 -1.26 -5.00 117.16 114.95 1pwx n TYR 187 Ca 0.01 -3.77 -0.37 0.00 -0.01 0.00 0.00 57.90 53.77 1pwx n TYR 187 Cb 0.48 -0.42 0.03 0.00 -0.02 0.00 0.00 39.34 39.41 1pwx n TYR 187 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1pwx s PRO 188 N -1.92 3.11 0.61 -0.72 0.04 -1.18 -0.61 135.00 134.33 1pwx s PRO 188 Ca 0.38 1.89 0.28 0.00 0.04 0.00 0.00 61.00 63.59 1pwx s PRO 188 Cb 0.22 -2.05 1.34 0.00 0.04 0.00 0.00 34.50 34.05 1pwx s PRO 188 CO -0.09 -1.11 1.75 1.15 0.04 0.00 0.00 177.00 178.74 1pwx h THR 189 N 1.12 0.23 -3.52 1.26 2.02 -1.29 -2.93 112.91 109.79 1pwx h THR 189 Ca -0.50 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.01 1pwx h THR 189 Cb 1.29 0.48 -0.29 0.00 -1.74 0.00 0.00 68.15 67.89 1pwx h THR 189 CO 0.56 0.00 -0.70 -1.61 0.37 0.00 0.00 175.52 174.14 1pwx s GLU 190 N -4.49 3.02 -0.43 6.66 0.41 -1.26 -1.99 118.70 120.61 1pwx s GLU 190 Ca -0.04 -0.87 0.05 0.00 -0.41 0.00 0.00 54.97 53.70 1pwx s GLU 190 Cb 0.14 -3.12 0.43 0.00 -1.78 0.00 0.00 34.13 29.80 1pwx s GLU 190 CO 0.48 -0.38 1.29 -0.35 -0.49 0.00 0.00 175.26 175.81 1pwx n PRO 191 N 4.76 3.39 -0.09 0.39 -0.04 -1.22 -4.99 135.00 137.20 1pwx n PRO 191 Ca -0.16 -4.19 -0.12 0.00 -0.04 0.00 0.00 63.50 58.99 1pwx n PRO 191 Cb 0.48 -2.27 -0.15 0.00 -0.04 0.00 0.00 33.50 31.52 1pwx n PRO 191 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1pwx n TRP 192 N -0.62 0.25 1.11 0.54 7.02 -1.10 -3.30 117.44 121.35 1pwx n TRP 192 Ca 0.44 0.08 0.12 0.00 -1.02 0.00 0.00 57.50 57.12 1pwx n TRP 192 Cb 0.75 -1.04 0.18 0.00 -2.42 0.00 0.00 31.31 28.78 1pwx n TRP 192 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1pwx n LYS 193 N -2.94 0.86 0.00 -0.99 5.02 -0.84 -4.10 118.16 115.17 1pwx n LYS 193 Ca -0.32 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 1pwx n LYS 193 Cb 1.10 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 1pwx n LYS 193 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pwx n THR 194 N -0.53 0.00 -0.70 -0.18 -2.24 -1.16 -5.01 114.28 104.46 1pwx n THR 194 Ca 0.10 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.57 1pwx n THR 194 Cb 0.39 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 1pwx n THR 194 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pwx n ASN 195 N 0.00 0.45 -0.12 3.42 2.85 -1.21 -4.69 115.26 115.96 1pwx n ASN 195 Ca 0.00 0.42 0.27 0.00 -0.11 0.00 0.00 54.58 55.16 1pwx n ASN 195 Cb 0.00 -0.43 0.72 0.00 1.24 0.00 0.00 39.78 41.31 1pwx n ASN 195 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1pwx h PRO 196 N 3.60 0.00 -0.03 1.20 0.11 -1.95 -0.24 132.00 134.69 1pwx h PRO 196 Ca -0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1pwx h PRO 196 Cb 0.68 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 1pwx h PRO 196 CO 0.51 0.00 -0.01 0.93 -0.21 0.00 0.00 178.00 179.21 1pwx h GLU 197 N 0.00 0.06 0.00 1.05 3.07 -1.92 -1.05 114.58 115.80 1pwx h GLU 197 Ca 0.38 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1pwx h GLU 197 Cb 1.61 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.52 1pwx h GLU 197 CO -0.00 0.45 0.00 0.72 -1.40 0.00 0.00 179.01 178.77 1pwx n HIS 198 N -4.85 0.53 -0.07 4.33 8.25 -0.33 -2.87 115.22 120.21 1pwx n HIS 198 Ca -0.08 0.17 -0.12 0.00 -0.26 0.00 0.00 57.72 57.43 1pwx n HIS 198 Cb 0.23 -0.78 -0.10 0.00 1.12 0.00 0.00 29.99 30.45 1pwx n HIS 198 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pwx h VAL 199 N 0.00 1.32 -0.96 1.59 2.07 -0.93 -3.08 116.25 116.27 1pwx h VAL 199 Ca 0.00 -2.05 0.06 0.00 0.82 0.00 0.00 66.70 65.53 1pwx h VAL 199 Cb 0.51 2.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 1pwx h VAL 199 CO 0.00 0.45 0.61 0.00 0.02 0.00 0.00 177.57 178.65 1pwx h ALA 200 N -0.27 1.32 0.34 1.67 0.00 -1.20 -1.04 119.26 120.08 1pwx h ALA 200 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1pwx h ALA 200 Cb 0.85 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pwx h ALA 200 CO -0.03 0.41 -0.17 1.25 0.00 0.00 0.00 179.25 180.72 1pwx h HIS 201 N 1.13 -0.43 0.00 0.00 6.17 -1.68 -2.31 115.15 118.04 1pwx h HIS 201 Ca 0.41 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.47 1pwx h HIS 201 Cb 0.14 0.14 -0.00 0.00 2.52 0.00 0.00 27.41 30.21 1pwx h HIS 201 CO -0.01 -0.13 -0.06 0.28 0.71 0.00 0.00 177.93 178.72 1pwx h VAL 202 N -0.71 0.70 -0.06 5.26 2.07 -1.47 0.33 116.25 122.37 1pwx h VAL 202 Ca -0.05 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1pwx h VAL 202 Cb 0.49 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1pwx h VAL 202 CO 0.08 0.06 0.00 1.17 0.02 0.00 0.00 177.57 178.90 1pwx n LYS 203 N -3.97 1.30 -0.01 1.57 3.00 -0.40 -3.68 118.16 115.98 1pwx n LYS 203 Ca -0.03 -0.45 -0.01 0.00 -0.00 0.00 0.00 58.31 57.82 1pwx n LYS 203 Cb 0.15 -1.34 -0.00 0.00 0.00 0.00 0.00 35.03 33.83 1pwx n LYS 203 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1pwx n LYS 204 N -0.34 0.03 0.00 1.64 0.00 0.11 -4.63 118.16 114.97 1pwx n LYS 204 Ca 0.15 0.01 0.13 0.00 0.00 0.00 0.00 58.31 58.60 1pwx n LYS 204 Cb 0.18 -0.75 0.73 0.00 0.00 0.00 0.00 35.03 35.19 1pwx n LYS 204 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1pwx n VAL 205 N -2.83 0.06 -4.75 3.15 0.24 -0.93 -4.51 118.33 108.77 1pwx n VAL 205 Ca -0.02 0.02 -0.32 0.00 -2.04 0.00 0.00 64.34 61.97 1pwx n VAL 205 Cb 0.52 -0.60 -0.13 0.00 -1.47 0.00 0.00 33.84 32.16 1pwx n VAL 205 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1pwx s THR 206 N -2.18 3.03 0.28 3.34 -4.23 -1.26 -0.26 115.64 114.36 1pwx s THR 206 Ca 0.35 -0.91 0.27 0.00 -1.18 0.00 0.00 61.69 60.21 1pwx s THR 206 Cb 0.18 -2.24 0.28 0.00 1.34 0.00 0.00 72.50 72.06 1pwx s THR 206 CO 0.33 0.46 1.97 0.00 -0.54 0.00 0.00 174.62 176.85 1pwx h ALA 207 N 4.91 1.13 0.00 3.99 0.00 -1.64 -2.76 119.26 124.89 1pwx h ALA 207 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1pwx h ALA 207 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1pwx h ALA 207 CO 0.50 0.19 -0.96 1.28 0.00 0.00 0.00 179.25 180.25 1pwx n LEU 208 N -3.47 0.63 -3.37 0.00 4.77 -1.02 -5.02 117.00 109.52 1pwx n LEU 208 Ca -0.01 -0.05 -0.19 0.00 -0.03 0.00 0.00 56.01 55.73 1pwx n LEU 208 Cb 0.32 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1pwx n LEU 208 CO 0.31 0.07 0.02 0.00 -1.33 0.00 0.00 177.39 176.45 1pwx n GLN 209 N -1.88 -1.87 -3.62 3.23 6.02 -1.04 -5.01 117.38 113.21 1pwx n GLN 209 Ca 0.02 0.79 -0.01 0.00 -0.01 0.00 0.00 57.00 57.80 1pwx n GLN 209 Cb 0.42 -5.28 -0.01 0.00 1.02 0.00 0.00 30.24 26.38 1pwx n GLN 209 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1pwx s ARG 210 N -4.76 0.08 0.89 -1.09 1.70 -1.24 -4.74 118.95 109.79 1pwx s ARG 210 Ca 0.43 -0.04 -0.12 0.00 -0.47 0.00 0.00 55.73 55.53 1pwx s ARG 210 Cb -0.09 0.03 0.13 0.00 -0.57 0.00 0.00 34.95 34.45 1pwx s ARG 210 CO 0.78 -0.04 1.12 -0.51 -1.08 0.00 0.00 175.30 175.57 1pwx s LEU 211 N -2.32 2.12 0.45 -1.89 1.02 -1.26 -4.92 118.68 111.88 1pwx s LEU 211 Ca 0.12 1.10 -0.01 0.00 0.02 0.00 0.00 54.13 55.36 1pwx s LEU 211 Cb 0.01 -3.48 -0.02 0.00 0.02 0.00 0.00 46.19 42.72 1pwx s LEU 211 CO -0.04 -2.49 0.69 -0.83 0.02 0.00 0.00 176.35 173.71 1pwx s GLY 212 N -3.90 1.50 0.22 -3.19 0.00 0.15 -4.89 107.32 97.22 1pwx s GLY 212 Ca 0.63 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 44.55 1pwx s GLY 212 CO 0.54 -0.71 0.16 -0.51 0.00 0.00 0.00 173.10 172.58 1pwx s THR 213 N -2.59 4.36 0.43 0.90 -4.23 -1.26 -2.54 115.64 110.71 1pwx s THR 213 Ca 0.47 -1.34 0.10 0.00 -1.18 0.00 0.00 61.69 59.73 1pwx s THR 213 Cb -0.10 -3.31 0.24 0.00 1.34 0.00 0.00 72.50 70.67 1pwx s THR 213 CO 0.40 -0.27 2.05 1.56 -0.54 0.00 0.00 174.62 177.81 1pwx h GLN 214 N 1.85 0.35 -0.81 3.99 1.08 -1.94 -1.11 115.11 118.51 1pwx h GLN 214 Ca -0.48 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 56.70 1pwx h GLN 214 Cb 1.23 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.54 1pwx h GLN 214 CO 0.61 0.28 0.54 0.87 -0.95 0.00 0.00 178.83 180.18 1pwx h LYS 215 N 0.35 1.06 -0.23 1.46 6.56 -1.93 0.73 116.57 124.57 1pwx h LYS 215 Ca 0.09 -0.06 -0.17 0.00 -1.06 0.00 0.00 60.65 59.45 1pwx h LYS 215 Cb 0.06 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 31.48 1pwx h LYS 215 CO -0.01 0.70 -0.51 0.93 -2.06 0.00 0.00 179.45 178.50 1pwx h GLU 216 N 1.09 0.75 -0.25 3.15 5.08 -1.61 -1.85 114.58 120.94 1pwx h GLU 216 Ca 0.30 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1pwx h GLU 216 Cb -0.11 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1pwx h GLU 216 CO -0.07 1.12 0.16 1.25 -1.00 0.00 0.00 179.01 180.48 1pwx h LEU 217 N 0.48 0.29 -0.40 1.33 7.12 -1.00 -2.53 115.31 120.62 1pwx h LEU 217 Ca 0.00 -0.02 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 1pwx h LEU 217 Cb 1.12 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 1pwx h LEU 217 CO 0.11 0.23 0.17 1.23 -0.13 0.00 0.00 178.44 180.04 1pwx h GLY 218 N 0.34 0.63 0.64 3.75 0.00 -0.86 0.13 103.07 107.70 1pwx h GLY 218 Ca 0.09 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.14 1pwx h GLY 218 CO -0.02 0.32 0.19 0.83 0.00 0.00 0.00 176.54 177.86 1pwx h GLU 219 N 0.50 0.38 -0.49 4.80 4.39 -1.25 0.82 114.58 123.73 1pwx h GLU 219 Ca 0.13 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 1pwx h GLU 219 Cb 0.17 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1pwx h GLU 219 CO -0.01 0.25 -0.01 1.25 -1.16 0.00 0.00 179.01 179.32 1pwx h LEU 220 N 0.39 0.86 -0.66 1.33 5.85 -1.29 0.88 115.31 122.67 1pwx h LEU 220 Ca 0.21 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1pwx h LEU 220 Cb 0.18 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1pwx h LEU 220 CO -0.19 0.97 0.31 0.58 -0.34 0.00 0.00 178.44 179.76 1pwx h VAL 221 N 0.73 1.23 0.00 1.05 2.07 -0.35 -1.95 116.25 119.03 1pwx h VAL 221 Ca 0.14 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 1pwx h VAL 221 Cb 0.53 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1pwx h VAL 221 CO 0.03 0.27 -0.46 0.00 0.02 0.00 0.00 177.57 177.43 1pwx h ALA 222 N 1.14 0.89 -0.12 1.67 0.00 -0.73 -1.93 119.26 120.17 1pwx h ALA 222 Ca 0.22 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1pwx h ALA 222 Cb 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pwx h ALA 222 CO -0.03 0.57 -0.12 0.35 0.00 0.00 0.00 179.25 180.02 1pwx h PHE 223 N 0.00 0.35 -0.38 0.00 3.57 -0.43 0.18 116.94 120.23 1pwx h PHE 223 Ca -0.00 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.30 1pwx h PHE 223 Cb 1.07 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1pwx h PHE 223 CO 0.00 0.71 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.61 1pwx h LEU 224 N -0.11 0.77 -0.35 0.59 3.38 -1.36 -3.21 115.31 115.02 1pwx h LEU 224 Ca 0.02 -0.37 -0.18 0.00 0.09 0.00 0.00 57.88 57.43 1pwx h LEU 224 Cb 0.65 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1pwx h LEU 224 CO 0.03 0.96 -0.83 0.00 0.09 0.00 0.00 178.44 178.69 1pwx h ALA 225 N 0.83 0.61 -1.07 1.53 0.00 -1.38 -3.10 119.26 116.68 1pwx h ALA 225 Ca 0.09 -0.73 0.29 0.00 0.00 0.00 0.00 54.91 54.57 1pwx h ALA 225 Cb 0.64 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1pwx h ALA 225 CO 0.04 0.96 0.73 0.66 0.00 0.00 0.00 179.25 181.65 1pwx h SER 226 N 0.05 0.19 0.00 0.00 4.64 -0.63 -3.45 113.55 114.35 1pwx h SER 226 Ca -0.02 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1pwx h SER 226 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1pwx h SER 226 CO 0.12 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1pwx n GLY 227 N -1.64 1.27 0.09 -0.77 0.00 -1.17 -5.01 105.19 97.97 1pwx n GLY 227 Ca 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1pwx n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pwx h SER 228 N 0.00 0.00 -1.44 1.61 0.02 -1.79 -3.40 113.55 108.56 1pwx h SER 228 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 1pwx h SER 228 Cb 0.17 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.30 1pwx h SER 228 CO 0.00 0.63 -0.96 0.00 -1.14 0.00 0.00 176.83 175.36 1pwx h ASP 230 N 2.83 0.15 0.07 0.00 5.19 -1.88 -1.89 116.42 120.89 1pwx h ASP 230 Ca 0.10 0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 1pwx h ASP 230 Cb 0.99 0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1pwx h ASP 230 CO 0.67 -0.28 0.00 0.00 -3.12 0.00 0.00 179.24 176.51 1pwx n TYR 231 N -5.24 0.26 0.55 4.55 4.19 -1.26 -2.28 117.16 117.92 1pwx n TYR 231 Ca 0.30 0.13 0.03 0.00 3.31 0.00 0.00 57.90 61.67 1pwx n TYR 231 Cb 0.97 -0.71 0.13 0.00 0.49 0.00 0.00 39.34 40.23 1pwx n TYR 231 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1pwx n LEU 232 N -1.76 2.33 -4.67 2.98 4.77 -0.71 -4.95 117.00 114.99 1pwx n LEU 232 Ca -0.00 -1.18 -0.46 0.00 -0.03 0.00 0.00 56.01 54.34 1pwx n LEU 232 Cb 0.03 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 1pwx n LEU 232 CO 0.05 0.37 1.22 1.07 -1.33 0.00 0.00 177.39 178.77 1pwx n THR 233 N 0.22 0.08 -0.19 -5.08 5.66 -0.97 -1.66 114.28 112.34 1pwx n THR 233 Ca 0.09 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1pwx n THR 233 Cb 0.49 -1.56 0.00 0.00 -1.55 0.00 0.00 70.33 67.71 1pwx n THR 233 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pwx n GLY 234 N 3.52 0.67 3.78 1.09 0.00 -0.19 -4.91 105.19 109.14 1pwx n GLY 234 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1pwx n GLY 234 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pwx s GLN 235 N -0.81 4.36 -0.11 1.61 2.00 -0.67 -4.66 119.66 121.38 1pwx s GLN 235 Ca 0.00 1.50 0.01 0.00 -2.00 0.00 0.00 55.36 54.87 1pwx s GLN 235 Cb 0.00 -2.71 -0.02 0.00 0.80 0.00 0.00 33.01 31.08 1pwx s GLN 235 CO 0.00 0.04 -0.13 0.08 -0.50 0.00 0.00 175.29 174.77 1pwx s VAL 236 N -1.57 3.07 -0.17 1.34 1.01 -1.26 -1.10 120.40 121.72 1pwx s VAL 236 Ca 0.54 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 1pwx s VAL 236 Cb -0.22 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1pwx s VAL 236 CO 0.28 0.54 0.01 -0.36 0.00 0.00 0.00 175.10 175.57 1pwx s PHE 237 N 0.07 3.11 -0.94 5.22 0.08 0.25 -4.95 117.98 120.81 1pwx s PHE 237 Ca -0.05 -0.20 -0.16 0.00 0.12 0.00 0.00 56.93 56.64 1pwx s PHE 237 Cb -0.15 -2.03 0.18 0.00 -0.57 0.00 0.00 43.02 40.46 1pwx s PHE 237 CO 0.04 -0.01 1.03 -1.58 -0.10 0.00 0.00 175.22 174.60 1pwx s TRP 238 N 0.51 3.48 -1.44 0.36 0.23 -1.26 0.19 118.94 121.01 1pwx s TRP 238 Ca -0.01 -1.79 -0.10 0.00 -2.03 0.00 0.00 56.10 52.17 1pwx s TRP 238 Cb -0.14 -4.08 0.05 0.00 0.03 0.00 0.00 33.47 29.33 1pwx s TRP 238 CO 0.02 -1.26 2.38 -0.11 0.96 0.00 0.00 176.95 178.94 1pwx n LEU 239 N 5.22 7.58 -0.27 2.99 -0.00 -0.56 -4.35 117.00 127.61 1pwx n LEU 239 Ca 0.22 -4.47 0.03 0.00 -0.00 0.00 0.00 56.01 51.79 1pwx n LEU 239 Cb 0.47 -1.53 0.08 0.00 -0.00 0.00 0.00 43.42 42.44 1pwx n LEU 239 CO 0.45 1.63 0.56 0.00 -0.00 0.00 0.00 177.39 180.03 1pwx n ALA 240 N 4.02 2.16 -3.62 1.96 0.00 -1.26 -1.99 120.51 121.79 1pwx n ALA 240 Ca 0.59 -1.32 -0.26 0.00 0.00 0.00 0.00 53.44 52.44 1pwx n ALA 240 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 1pwx n ALA 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pwx n GLY 241 N -0.29 -0.47 0.00 0.00 0.00 -1.26 -0.22 105.19 102.95 1pwx n GLY 241 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1pwx n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwx n GLY 242 N -1.14 0.71 3.67 -0.02 0.00 -1.26 -2.43 105.19 104.71 1pwx n GLY 242 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1pwx n GLY 242 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pwx n PHE 243 N -1.75 2.13 -3.85 1.61 -0.00 0.69 -3.98 117.46 112.31 1pwx n PHE 243 Ca 0.00 0.49 -0.21 0.00 -0.00 0.00 0.00 57.45 57.73 1pwx n PHE 243 Cb 0.00 -2.43 -0.04 0.00 -0.00 0.00 0.00 39.48 37.01 1pwx n PHE 243 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1pwx s PRO 244 N -0.95 2.76 -0.25 -7.13 0.04 -1.25 -4.90 135.00 123.32 1pwx s PRO 244 Ca 0.64 -1.26 -0.12 0.00 0.04 0.00 0.00 61.00 60.30 1pwx s PRO 244 Cb -0.63 -2.49 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 1pwx s PRO 244 CO 0.54 0.14 0.22 -1.64 0.04 0.00 0.00 177.00 176.30 1pwx s MET 245 N -3.98 4.05 -0.06 4.56 -1.94 0.64 -4.89 119.30 117.69 1pwx s MET 245 Ca 0.40 -0.18 -0.23 0.00 -1.71 0.00 0.00 55.69 53.97 1pwx s MET 245 Cb -0.06 -3.58 -0.04 0.00 2.01 0.00 0.00 34.83 33.16 1pwx s MET 245 CO 0.26 -0.04 0.68 0.42 -0.01 0.00 0.00 175.02 176.33 1pwx s ILE 246 N 1.35 5.02 -0.45 2.53 1.09 -1.26 -4.82 121.20 124.66 1pwx s ILE 246 Ca 0.10 1.40 -0.37 0.00 -1.10 0.00 0.00 60.65 60.68 1pwx s ILE 246 Cb -0.14 -4.02 -0.14 0.00 -1.06 0.00 0.00 42.46 37.10 1pwx s ILE 246 CO 0.07 0.28 2.24 1.21 -0.10 0.00 0.00 174.94 178.64 1pwx n GLU 247 N 3.59 0.70 -1.14 2.79 4.07 -1.26 -4.91 120.64 124.48 1pwx n GLU 247 Ca -0.02 0.17 -0.29 0.00 -0.06 0.00 0.00 57.16 56.96 1pwx n GLU 247 Cb 0.51 -2.19 0.19 0.00 -0.06 0.00 0.00 31.44 29.90 1pwx n GLU 247 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1pwx s ARG 248 N 6.54 0.02 1.29 5.31 0.52 -1.26 -4.99 118.95 126.38 1pwx s ARG 248 Ca 1.14 0.38 -0.17 0.00 -0.52 0.00 0.00 55.73 56.57 1pwx s ARG 248 Cb -1.02 -1.70 0.33 0.00 0.52 0.00 0.00 34.95 33.08 1pwx s ARG 248 CO 0.52 -2.98 0.97 -1.58 0.02 0.00 0.00 175.30 172.25 1pwx s TRP 249 N -2.97 0.53 0.57 -0.53 0.51 -1.26 -4.91 118.94 110.88 1pwx s TRP 249 Ca 0.67 0.96 -0.19 0.00 -2.12 0.00 0.00 56.10 55.42 1pwx s TRP 249 Cb -0.17 -2.98 -0.05 0.00 -0.81 0.00 0.00 33.47 29.47 1pwx s TRP 249 CO 0.57 -4.46 1.15 -2.14 -0.51 0.00 0.00 176.95 171.56 1pwx s PRO 250 N -4.61 3.20 0.00 4.98 0.02 -1.26 -3.11 135.00 134.23 1pwx s PRO 250 Ca 0.69 1.64 0.00 0.00 0.02 0.00 0.00 61.00 63.35 1pwx s PRO 250 Cb -0.22 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1pwx s PRO 250 CO 0.63 -0.98 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 1pwx n GLY 251 N 0.17 2.52 3.63 0.52 0.00 -1.26 -5.02 105.19 105.76 1pwx n GLY 251 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1pwx n GLY 251 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pwx s MET 252 N -0.43 4.03 0.00 1.61 -1.94 -1.18 -5.24 119.30 116.15 1pwx s MET 252 Ca 0.00 -0.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 1pwx s MET 252 Cb 0.00 -3.59 0.00 0.00 2.01 0.00 0.00 34.83 33.25 1pwx s MET 252 CO 0.00 -0.07 0.02 -2.30 -0.01 0.00 0.00 175.02 172.66