#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqw s ARG 2 N 0.00 3.14 0.69 2.12 1.70 -0.14 -4.68 118.95 121.78 1sqw s ARG 2 Ca 0.00 -0.98 -0.15 0.00 -0.47 0.00 0.00 55.73 54.13 1sqw s ARG 2 Cb 0.00 -2.82 0.02 0.00 -0.57 0.00 0.00 34.95 31.58 1sqw s ARG 2 CO 0.00 0.08 1.14 -2.14 -1.08 0.00 0.00 175.30 173.30 1sqw s PRO 3 N -4.17 2.52 0.50 3.89 0.02 -1.26 0.56 135.00 137.06 1sqw s PRO 3 Ca 0.44 1.52 -0.18 0.00 0.02 0.00 0.00 61.00 62.80 1sqw s PRO 3 Cb -0.10 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 1sqw s PRO 3 CO 0.31 -1.49 1.00 -0.51 -0.33 0.00 0.00 177.00 175.98 1sqw s LEU 4 N -5.03 3.71 0.93 -5.54 1.02 -1.26 -4.68 118.68 107.83 1sqw s LEU 4 Ca 0.69 1.69 -0.12 0.00 0.02 0.00 0.00 54.13 56.41 1sqw s LEU 4 Cb -0.23 -4.53 0.15 0.00 0.02 0.00 0.00 46.19 41.60 1sqw s LEU 4 CO 0.43 -0.66 1.12 0.42 0.02 0.00 0.00 176.35 177.68 1sqw s THR 5 N -2.40 2.10 0.27 5.49 -4.23 -1.26 -4.76 115.64 110.86 1sqw s THR 5 Ca 0.62 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 61.12 1sqw s THR 5 Cb -0.12 -2.71 0.24 0.00 1.34 0.00 0.00 72.50 71.26 1sqw s THR 5 CO 0.26 -0.04 1.92 -0.33 -0.54 0.00 0.00 174.62 175.90 1sqw h GLU 6 N -1.58 1.15 -0.37 3.99 4.39 -1.99 0.48 114.58 120.66 1sqw h GLU 6 Ca -0.51 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 58.93 1sqw h GLU 6 Cb 1.33 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1sqw h GLU 6 CO 0.61 0.80 -0.38 1.49 -1.16 0.00 0.00 179.01 180.36 1sqw h GLU 7 N 1.18 0.91 -0.37 2.33 4.57 -2.00 -1.50 114.58 119.69 1sqw h GLU 7 Ca 0.31 -0.48 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 1sqw h GLU 7 Cb -0.07 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1sqw h GLU 7 CO -0.06 1.13 0.19 0.93 -1.18 0.00 0.00 179.01 180.03 1sqw h GLU 8 N 0.71 0.53 -0.57 1.92 5.08 -1.79 -1.89 114.58 118.57 1sqw h GLU 8 Ca 0.06 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1sqw h GLU 8 Cb 0.98 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 1sqw h GLU 8 CO 0.09 0.45 0.29 1.15 -1.00 0.00 0.00 179.01 180.00 1sqw h THR 9 N 0.47 0.94 -0.04 1.13 2.02 -0.79 -0.93 112.91 115.72 1sqw h THR 9 Ca 0.13 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1sqw h THR 9 Cb 0.09 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1sqw h THR 9 CO -0.02 0.10 0.02 -0.09 0.37 0.00 0.00 175.52 175.90 1sqw h ARG 10 N 0.56 0.04 -0.28 6.66 2.43 -0.99 0.14 114.38 122.93 1sqw h ARG 10 Ca 0.26 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1sqw h ARG 10 Cb 0.17 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1sqw h ARG 10 CO -0.18 0.02 0.19 0.28 -1.51 0.00 0.00 179.97 178.77 1sqw h VAL 11 N 0.04 1.07 -0.32 0.20 2.07 -0.98 0.33 116.25 118.65 1sqw h VAL 11 Ca 0.01 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1sqw h VAL 11 Cb 0.00 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1sqw h VAL 11 CO -0.01 0.07 -0.20 0.00 0.02 0.00 0.00 177.57 177.45 1sqw h MET 12 N 0.38 0.60 -0.63 1.57 -0.00 -1.01 -2.34 114.93 113.50 1sqw h MET 12 Ca 0.11 -0.22 -0.05 0.00 -0.00 0.00 0.00 59.70 59.54 1sqw h MET 12 Cb -0.04 -0.04 -0.03 0.00 -0.00 0.00 0.00 31.60 31.49 1sqw h MET 12 CO -0.03 0.77 0.19 0.35 -0.00 0.00 0.00 176.91 178.19 1sqw h PHE 13 N 0.54 1.03 -0.49 -0.10 3.57 -0.18 -1.28 116.94 120.02 1sqw h PHE 13 Ca 0.08 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 1sqw h PHE 13 Cb 0.64 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1sqw h PHE 13 CO 0.03 0.84 0.01 0.93 -2.23 0.00 0.00 178.31 177.89 1sqw h GLU 14 N 0.92 0.86 -0.01 1.11 5.08 -0.70 0.26 114.58 122.08 1sqw h GLU 14 Ca 0.20 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1sqw h GLU 14 Cb 0.30 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1sqw h GLU 14 CO -0.01 0.89 0.00 -0.22 -1.00 0.00 0.00 179.01 178.68 1sqw h LYS 15 N 0.72 0.02 -0.93 2.33 1.63 -1.26 -2.19 116.57 116.88 1sqw h LYS 15 Ca 0.14 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.96 1sqw h LYS 15 Cb 0.50 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.08 1sqw h LYS 15 CO 0.02 0.16 0.61 0.82 -3.45 0.00 0.00 179.45 177.62 1sqw h ILE 16 N -0.13 1.19 0.00 2.00 2.04 -1.17 -0.06 117.51 121.38 1sqw h ILE 16 Ca 0.00 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1sqw h ILE 16 Cb 0.15 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1sqw h ILE 16 CO -0.00 0.22 -0.07 0.00 0.00 0.00 0.00 178.15 178.30 1sqw h ALA 17 N 1.44 1.45 0.00 1.87 0.00 -0.67 -0.39 119.26 122.95 1sqw h ALA 17 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1sqw h ALA 17 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sqw h ALA 17 CO -0.10 0.09 0.00 0.87 0.00 0.00 0.00 179.25 180.12 1sqw h LYS 18 N 0.00 0.00 0.00 0.00 1.57 -0.36 0.10 116.57 117.88 1sqw h LYS 18 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1sqw h LYS 18 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1sqw h LYS 18 CO 0.01 0.00 -1.35 0.66 -0.57 0.00 0.00 179.45 178.20 1sqw n TYR 19 N -2.50 0.00 -0.01 -1.35 4.01 -0.30 -2.85 117.16 114.16 1sqw n TYR 19 Ca -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1sqw n TYR 19 Cb 0.12 -0.25 0.02 0.00 -0.31 0.00 0.00 39.34 38.93 1sqw n TYR 19 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1sqw n ILE 20 N -2.35 0.89 0.00 -0.72 -6.64 -0.38 -4.12 119.36 106.04 1sqw n ILE 20 Ca -0.09 -0.94 0.00 0.00 -1.77 0.00 0.00 62.75 59.94 1sqw n ILE 20 Cb 0.65 0.56 0.00 0.00 -1.44 0.00 0.00 39.64 39.41 1sqw n ILE 20 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1sqw n GLY 21 N -0.31 3.79 1.52 3.28 0.00 0.36 -1.19 105.19 112.64 1sqw n GLY 21 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 1sqw n GLY 21 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sqw n GLU 22 N 14.00 3.09 -0.06 1.61 0.28 -1.26 -4.31 120.64 133.99 1sqw n GLU 22 Ca 0.00 -2.04 0.12 0.00 -0.16 0.00 0.00 57.16 55.08 1sqw n GLU 22 Cb 0.00 -1.94 0.33 0.00 1.43 0.00 0.00 31.44 31.26 1sqw n GLU 22 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1sqw n ASN 23 N 0.14 2.23 0.06 -1.84 3.02 -0.33 -4.19 115.26 114.36 1sqw n ASN 23 Ca 0.24 -1.76 0.09 0.00 -0.03 0.00 0.00 54.58 53.12 1sqw n ASN 23 Cb 0.98 -0.08 0.55 0.00 -0.61 0.00 0.00 39.78 40.62 1sqw n ASN 23 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1sqw h LEU 24 N 3.21 0.23 -2.06 3.41 5.85 -1.78 0.53 115.31 124.70 1sqw h LEU 24 Ca 0.00 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.81 1sqw h LEU 24 Cb 0.69 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1sqw h LEU 24 CO 0.00 0.16 0.26 0.06 -0.34 0.00 0.00 178.44 178.58 1sqw h GLN 25 N 0.27 0.00 0.00 1.25 3.07 -1.95 0.21 115.11 117.95 1sqw h GLN 25 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.88 1sqw h GLN 25 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.81 1sqw h GLN 25 CO -0.03 0.00 -0.06 -0.07 0.09 0.00 0.00 178.83 178.76 1sqw h LEU 26 N 0.00 0.00 0.00 0.06 3.38 -1.18 -0.26 115.31 117.31 1sqw h LEU 26 Ca 0.16 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1sqw h LEU 26 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1sqw h LEU 26 CO -0.00 0.06 -1.12 -0.07 0.09 0.00 0.00 178.44 177.39 1sqw h LEU 27 N 0.00 0.00 0.09 1.67 3.38 -0.69 -3.38 115.31 116.38 1sqw h LEU 27 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1sqw h LEU 27 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1sqw h LEU 27 CO 0.01 0.57 -1.02 0.58 0.09 0.00 0.00 178.44 178.67 1sqw h VAL 28 N 0.00 1.26 -2.34 1.22 2.07 -1.21 -3.41 116.25 113.83 1sqw h VAL 28 Ca -0.11 -2.39 -0.78 0.00 0.82 0.00 0.00 66.70 64.24 1sqw h VAL 28 Cb 1.53 2.87 -0.22 0.00 -1.52 0.00 0.00 31.29 33.96 1sqw h VAL 28 CO 0.06 0.64 1.27 0.47 0.02 0.00 0.00 177.57 180.02 1sqw n ASP 29 N -4.16 5.60 -4.89 0.57 8.00 -0.15 -0.48 116.55 121.05 1sqw n ASP 29 Ca -0.21 -3.17 -0.29 0.00 0.71 0.00 0.00 54.79 51.83 1sqw n ASP 29 Cb 0.78 -1.42 0.04 0.00 -0.02 0.00 0.00 41.12 40.51 1sqw n ASP 29 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sqw s ARG 30 N -0.66 2.83 0.33 -1.24 1.81 -0.98 -4.86 118.95 116.18 1sqw s ARG 30 Ca 0.36 0.33 0.02 0.00 -1.72 0.00 0.00 55.73 54.73 1sqw s ARG 30 Cb 0.03 -2.08 0.57 0.00 -0.45 0.00 0.00 34.95 33.02 1sqw s ARG 30 CO 0.02 -0.98 1.90 -1.35 -0.68 0.00 0.00 175.30 174.21 1sqw h PRO 31 N -0.56 0.68 -0.11 3.54 0.11 -1.95 -2.52 132.00 131.19 1sqw h PRO 31 Ca -0.45 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1sqw h PRO 31 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1sqw h PRO 31 CO 0.63 0.59 0.00 -0.40 -0.21 0.00 0.00 178.00 178.62 1sqw n ASP 32 N -4.32 1.09 0.00 -2.05 5.75 -1.26 -5.02 116.55 110.74 1sqw n ASP 32 Ca 0.03 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 1sqw n ASP 32 Cb 0.19 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1sqw n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sqw n GLY 33 N 1.01 1.58 3.73 6.12 0.00 -0.95 -5.07 105.19 111.61 1sqw n GLY 33 Ca 0.15 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1sqw n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqw s THR 34 N -1.31 4.03 0.27 2.61 2.01 -1.26 -2.31 115.64 119.68 1sqw s THR 34 Ca 0.00 1.63 0.07 0.00 0.31 0.00 0.00 61.69 63.70 1sqw s THR 34 Cb 0.00 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1sqw s THR 34 CO 0.00 0.22 0.21 -0.31 -0.69 0.00 0.00 174.62 174.05 1sqw s TYR 35 N 0.27 3.06 0.29 4.92 1.51 0.37 -1.17 117.35 126.60 1sqw s TYR 35 Ca 0.52 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.46 1sqw s TYR 35 Cb -0.28 -1.46 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1sqw s TYR 35 CO 0.32 0.47 0.28 0.00 -1.11 0.00 0.00 175.55 175.51 1sqw s PHE 37 N -3.60 2.49 0.02 0.00 0.08 -1.26 -1.39 117.98 114.32 1sqw s PHE 37 Ca 0.38 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.99 1sqw s PHE 37 Cb 0.03 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.88 1sqw s PHE 37 CO 0.22 -0.04 -0.06 1.03 -0.10 0.00 0.00 175.22 176.27 1sqw s ARG 38 N -0.46 0.43 -0.11 0.44 1.81 -0.65 -4.25 118.95 116.16 1sqw s ARG 38 Ca 0.05 -0.55 -0.03 0.00 -1.72 0.00 0.00 55.73 53.49 1sqw s ARG 38 Cb -0.12 -0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 34.12 1sqw s ARG 38 CO 0.01 0.04 0.02 -1.17 -0.68 0.00 0.00 175.30 173.52 1sqw s LEU 39 N -1.11 3.66 -0.22 2.53 0.20 0.19 -0.55 118.68 123.38 1sqw s LEU 39 Ca -0.08 0.15 -0.05 0.00 0.69 0.00 0.00 54.13 54.84 1sqw s LEU 39 Cb -0.07 -1.86 0.11 0.00 -0.43 0.00 0.00 46.19 43.94 1sqw s LEU 39 CO -0.00 0.34 0.41 -2.28 -0.29 0.00 0.00 176.35 174.53 1sqw s HIS 40 N -0.65 -0.84 -1.27 5.38 2.46 -0.19 -0.97 115.29 119.21 1sqw s HIS 40 Ca 0.11 1.22 -0.02 0.00 0.47 0.00 0.00 55.06 56.84 1sqw s HIS 40 Cb -0.12 0.19 0.01 0.00 -0.13 0.00 0.00 32.58 32.53 1sqw s HIS 40 CO 0.02 -0.60 0.97 0.09 -2.47 0.00 0.00 174.74 172.75 1sqw n ASN 41 N 5.38 -2.80 0.00 9.88 3.02 -1.26 -1.63 115.26 127.85 1sqw n ASN 41 Ca -0.06 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1sqw n ASN 41 Cb 0.50 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.87 1sqw n ASN 41 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1sqw n ASP 42 N -3.08 0.00 -4.83 6.41 8.00 -1.26 -4.95 116.55 116.85 1sqw n ASP 42 Ca -0.22 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 54.91 1sqw n ASP 42 Cb 0.64 -1.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.26 1sqw n ASP 42 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sqw s ARG 43 N -0.37 3.74 -0.19 -1.24 0.52 -0.65 -1.54 118.95 119.22 1sqw s ARG 43 Ca 0.00 -0.03 -0.09 0.00 -0.52 0.00 0.00 55.73 55.09 1sqw s ARG 43 Cb 0.00 -3.26 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 1sqw s ARG 43 CO 0.00 0.62 0.10 0.08 0.02 0.00 0.00 175.30 176.12 1sqw s VAL 44 N -0.63 5.16 -0.07 3.52 1.01 0.25 -1.02 120.40 128.62 1sqw s VAL 44 Ca 0.15 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1sqw s VAL 44 Cb -0.13 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1sqw s VAL 44 CO 0.04 0.46 -0.12 -0.31 0.00 0.00 0.00 175.10 175.17 1sqw s TYR 45 N 0.30 2.78 -0.27 5.22 2.02 0.29 -1.08 117.35 126.60 1sqw s TYR 45 Ca 0.06 -0.21 -0.15 0.00 -0.37 0.00 0.00 57.07 56.40 1sqw s TYR 45 Cb -0.12 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1sqw s TYR 45 CO -0.01 0.14 0.37 -0.47 -1.57 0.00 0.00 175.55 174.01 1sqw s TYR 46 N -0.51 3.24 0.03 2.71 5.04 0.87 -1.63 117.35 127.09 1sqw s TYR 46 Ca 0.07 0.38 -0.11 0.00 -2.44 0.00 0.00 57.07 54.97 1sqw s TYR 46 Cb -0.12 -2.58 0.01 0.00 0.35 0.00 0.00 41.96 39.63 1sqw s TYR 46 CO 0.02 -0.24 0.24 0.54 -1.34 0.00 0.00 175.55 174.76 1sqw s VAL 47 N 2.07 0.09 0.37 3.14 0.11 -0.49 -1.09 120.40 124.60 1sqw s VAL 47 Ca 0.15 -0.75 -0.27 0.00 -2.93 0.00 0.00 61.98 58.18 1sqw s VAL 47 Cb -0.16 -0.82 -0.09 0.00 -1.53 0.00 0.00 36.38 33.78 1sqw s VAL 47 CO 0.10 -0.41 1.21 -0.94 -3.33 0.00 0.00 175.10 171.73 1sqw s SER 48 N -1.88 6.65 0.40 3.54 1.04 -1.26 0.11 113.70 122.30 1sqw s SER 48 Ca -0.07 2.46 0.07 0.00 0.48 0.00 0.00 55.95 58.88 1sqw s SER 48 Cb -0.02 -2.63 0.84 0.00 0.10 0.00 0.00 66.02 64.31 1sqw s SER 48 CO -0.02 -0.60 2.05 -0.33 0.98 0.00 0.00 173.24 175.32 1sqw h GLU 49 N 2.97 0.57 -0.68 4.02 5.08 -1.44 -2.30 114.58 122.80 1sqw h GLU 49 Ca -0.49 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 57.89 1sqw h GLU 49 Cb 1.23 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1sqw h GLU 49 CO 0.64 0.38 0.40 0.87 -1.00 0.00 0.00 179.01 180.30 1sqw h LYS 50 N 0.59 0.74 -0.53 2.33 1.57 -1.91 -1.41 116.57 117.95 1sqw h LYS 50 Ca 0.17 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1sqw h LYS 50 Cb -0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1sqw h LYS 50 CO -0.04 0.49 0.17 0.82 -0.57 0.00 0.00 179.45 180.33 1sqw h ILE 51 N 0.77 1.21 -0.02 1.86 1.08 -1.80 -2.95 117.51 117.66 1sqw h ILE 51 Ca 0.29 -0.70 -0.14 0.00 -0.39 0.00 0.00 64.86 63.92 1sqw h ILE 51 Cb 0.11 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1sqw h ILE 51 CO -0.15 0.27 -0.64 0.24 -0.69 0.00 0.00 178.15 177.18 1sqw h MET 52 N 0.77 0.07 0.00 2.37 2.86 -1.11 -2.95 114.93 116.94 1sqw h MET 52 Ca 0.18 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1sqw h MET 52 Cb 0.22 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1sqw h MET 52 CO -0.01 0.69 0.00 0.87 1.06 0.00 0.00 176.91 179.52 1sqw h LYS 53 N 0.05 0.00 -0.71 1.72 1.57 -1.11 -0.67 116.57 117.43 1sqw h LYS 53 Ca -0.01 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 1sqw h LYS 53 Cb 1.14 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.31 1sqw h LYS 53 CO 0.09 0.00 0.28 1.28 -0.57 0.00 0.00 179.45 180.53 1sqw n LEU 54 N -3.03 5.87 0.19 2.94 4.32 -1.11 -4.49 117.00 121.69 1sqw n LEU 54 Ca -0.02 -3.32 0.13 0.00 -0.02 0.00 0.00 56.01 52.78 1sqw n LEU 54 Cb 0.12 -0.74 0.65 0.00 -1.62 0.00 0.00 43.42 41.83 1sqw n LEU 54 CO 0.21 0.88 0.90 0.00 -1.22 0.00 0.00 177.39 178.16 1sqw h ALA 55 N 2.22 1.00 -0.47 -1.18 0.00 -1.23 -2.89 119.26 116.71 1sqw h ALA 55 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1sqw h ALA 55 Cb 2.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 20.07 1sqw h ALA 55 CO 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.95 1sqw h ALA 56 N 2.08 0.63 -0.55 0.00 0.00 -1.84 -3.22 119.26 116.37 1sqw h ALA 56 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1sqw h ALA 56 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1sqw h ALA 56 CO 0.00 0.46 0.00 0.09 0.00 0.00 0.00 179.25 179.80 1sqw n ASN 57 N -4.33 3.66 -4.04 0.00 3.02 -1.09 -4.88 115.26 107.59 1sqw n ASN 57 Ca 0.00 -1.99 -0.21 0.00 -0.03 0.00 0.00 54.58 52.35 1sqw n ASN 57 Cb 0.33 -0.36 -0.15 0.00 -0.61 0.00 0.00 39.78 38.98 1sqw n ASN 57 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sqw s ILE 58 N -1.28 0.92 0.79 2.41 1.09 -1.22 -5.13 121.20 118.78 1sqw s ILE 58 Ca 0.44 -0.46 -0.11 0.00 -1.10 0.00 0.00 60.65 59.41 1sqw s ILE 58 Cb 0.24 -0.80 0.07 0.00 -1.06 0.00 0.00 42.46 40.91 1sqw s ILE 58 CO 0.32 0.27 1.12 -0.94 -0.10 0.00 0.00 174.94 175.61 1sqw s SER 59 N 0.01 4.21 0.33 3.58 1.04 -1.26 -4.75 113.70 116.85 1sqw s SER 59 Ca -0.01 1.97 0.05 0.00 0.48 0.00 0.00 55.95 58.44 1sqw s SER 59 Cb -0.08 -2.54 0.58 0.00 0.10 0.00 0.00 66.02 64.09 1sqw s SER 59 CO 0.00 -2.24 1.84 1.23 0.98 0.00 0.00 173.24 175.06 1sqw h GLY 60 N -1.07 0.51 2.00 7.32 0.00 -1.98 -0.47 103.07 109.38 1sqw h GLY 60 Ca -0.44 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.49 1sqw h GLY 60 CO 0.49 0.30 -0.35 -0.55 0.00 0.00 0.00 176.54 176.44 1sqw h ASP 61 N 0.44 0.00 0.33 0.19 3.32 -1.99 0.33 116.42 119.05 1sqw h ASP 61 Ca 0.09 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.83 1sqw h ASP 61 Cb 0.42 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.99 1sqw h ASP 61 CO 0.02 0.35 -1.35 0.11 -1.72 0.00 0.00 179.24 176.65 1sqw h LYS 62 N 0.00 0.49 -0.92 3.56 1.57 -1.84 -2.91 116.57 116.52 1sqw h LYS 62 Ca -0.00 -0.77 0.00 0.00 -1.87 0.00 0.00 60.65 58.01 1sqw h LYS 62 Cb 0.97 0.28 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 1sqw h LYS 62 CO 0.04 1.36 0.58 -0.07 -0.57 0.00 0.00 179.45 180.80 1sqw h LEU 63 N 0.16 1.09 -0.36 2.94 3.38 -0.74 -2.22 115.31 119.56 1sqw h LEU 63 Ca -0.20 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.79 1sqw h LEU 63 Cb 2.04 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 42.43 1sqw h LEU 63 CO 0.25 0.81 -0.28 0.58 0.09 0.00 0.00 178.44 179.89 1sqw h VAL 64 N 1.26 0.30 0.00 1.22 2.07 -0.28 -0.33 116.25 120.49 1sqw h VAL 64 Ca 0.34 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.85 1sqw h VAL 64 Cb -0.10 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1sqw h VAL 64 CO -0.07 0.00 -0.04 0.77 0.02 0.00 0.00 177.57 178.26 1sqw h SER 65 N -0.23 0.00 1.62 0.57 4.64 -1.21 -2.59 113.55 116.35 1sqw h SER 65 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1sqw h SER 65 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1sqw h SER 65 CO -0.50 0.04 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.22 1sqw h LEU 66 N 0.00 0.00 0.00 5.97 3.38 -0.61 -3.46 115.31 120.58 1sqw h LEU 66 Ca -0.00 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 1sqw h LEU 66 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1sqw h LEU 66 CO 0.00 0.01 -0.09 0.61 0.09 0.00 0.00 178.44 179.07 1sqw n GLY 67 N 1.18 2.49 3.20 0.83 0.00 -0.98 -4.91 105.19 107.01 1sqw n GLY 67 Ca 0.04 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 1sqw n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqw s THR 68 N -1.03 1.95 0.05 2.61 2.01 -0.25 -4.89 115.64 116.10 1sqw s THR 68 Ca 0.21 -0.96 -0.31 0.00 0.31 0.00 0.00 61.69 60.94 1sqw s THR 68 Cb -0.02 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.75 1sqw s THR 68 CO 0.13 0.54 1.24 0.00 -0.69 0.00 0.00 174.62 175.84 1sqw n PHE 70 N 4.14 0.00 -3.67 0.00 3.01 -0.24 -3.98 117.46 116.72 1sqw n PHE 70 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1sqw n PHE 70 Cb 0.46 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 1sqw n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sqw n GLY 71 N 1.38 -0.61 3.26 1.37 0.00 -1.25 -0.40 105.19 108.94 1sqw n GLY 71 Ca -0.03 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 1sqw n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqw s LYS 72 N -2.00 0.85 0.13 1.61 -2.85 -0.44 -0.59 119.74 116.45 1sqw s LYS 72 Ca 0.00 -0.57 -0.26 0.00 -1.00 0.00 0.00 55.97 54.15 1sqw s LYS 72 Cb 0.00 0.37 -0.07 0.00 -2.06 0.00 0.00 37.83 36.07 1sqw s LYS 72 CO 0.00 -0.28 0.79 -0.06 0.10 0.00 0.00 175.35 175.90 1sqw s PHE 73 N -2.83 3.85 0.31 1.78 0.08 -0.59 0.01 117.98 120.59 1sqw s PHE 73 Ca -0.03 1.60 0.03 0.00 0.12 0.00 0.00 56.93 58.65 1sqw s PHE 73 Cb 0.00 -2.81 -0.03 0.00 -0.57 0.00 0.00 43.02 39.61 1sqw s PHE 73 CO -0.05 0.42 0.47 0.95 -0.10 0.00 0.00 175.22 176.91 1sqw s THR 74 N -0.72 4.98 -0.12 0.64 -4.23 -0.48 -4.93 115.64 110.79 1sqw s THR 74 Ca 0.38 -0.74 0.27 0.00 -1.18 0.00 0.00 61.69 60.42 1sqw s THR 74 Cb -0.22 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.11 1sqw s THR 74 CO 0.26 -0.41 1.81 0.07 -0.54 0.00 0.00 174.62 175.81 1sqw h LYS 75 N 0.91 0.00 -0.24 3.99 2.10 -1.98 0.49 116.57 121.84 1sqw h LYS 75 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1sqw h LYS 75 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1sqw h LYS 75 CO 0.60 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.30 1sqw n THR 76 N -2.45 0.32 -3.56 0.07 -2.24 -1.26 -4.91 114.28 100.26 1sqw n THR 76 Ca -0.01 -0.35 -0.23 0.00 -2.27 0.00 0.00 64.05 61.19 1sqw n THR 76 Cb 0.11 0.21 0.08 0.00 -2.10 0.00 0.00 70.33 68.63 1sqw n THR 76 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1sqw n HIS 77 N 0.27 -2.79 -3.63 4.78 8.25 0.17 -5.03 115.22 117.24 1sqw n HIS 77 Ca 0.11 0.98 -0.21 0.00 -0.26 0.00 0.00 57.72 58.35 1sqw n HIS 77 Cb 0.25 -4.91 -0.03 0.00 1.12 0.00 0.00 29.99 26.42 1sqw n HIS 77 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1sqw s LYS 78 N -6.26 2.62 -0.29 -0.41 -0.14 -1.25 -4.90 119.74 109.10 1sqw s LYS 78 Ca 0.56 -1.43 -0.04 0.00 -1.36 0.00 0.00 55.97 53.70 1sqw s LYS 78 Cb -0.25 -2.43 0.03 0.00 -1.68 0.00 0.00 37.83 33.50 1sqw s LYS 78 CO 0.70 -0.09 0.03 0.12 -0.76 0.00 0.00 175.35 175.36 1sqw s PHE 79 N -2.40 3.17 -0.36 3.18 5.36 -1.26 -1.39 117.98 124.28 1sqw s PHE 79 Ca 0.46 -1.41 -0.22 0.00 -0.96 0.00 0.00 56.93 54.80 1sqw s PHE 79 Cb -0.04 -2.17 0.01 0.00 -0.34 0.00 0.00 43.02 40.47 1sqw s PHE 79 CO 0.28 -0.70 0.70 0.50 -1.46 0.00 0.00 175.22 174.54 1sqw s ARG 80 N 1.38 3.71 0.17 10.12 3.52 0.10 -4.92 118.95 133.03 1sqw s ARG 80 Ca -0.01 0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.46 1sqw s ARG 80 Cb -0.18 -3.81 -0.08 0.00 -1.56 0.00 0.00 34.95 29.32 1sqw s ARG 80 CO -0.00 -0.78 1.23 -1.17 -0.81 0.00 0.00 175.30 173.76 1sqw s LEU 81 N 2.87 4.43 0.10 -0.88 2.96 -1.26 -1.33 118.68 125.57 1sqw s LEU 81 Ca 0.27 2.24 -0.02 0.00 -0.22 0.00 0.00 54.13 56.40 1sqw s LEU 81 Cb -0.14 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 1sqw s LEU 81 CO 0.16 -0.42 0.29 -1.00 -1.32 0.00 0.00 176.35 174.05 1sqw s HIS 82 N 0.14 3.50 -0.68 5.38 3.76 0.46 -4.92 115.29 122.93 1sqw s HIS 82 Ca 0.55 0.40 0.15 0.00 -0.15 0.00 0.00 55.06 56.00 1sqw s HIS 82 Cb -0.33 -1.88 0.69 0.00 1.11 0.00 0.00 32.58 32.17 1sqw s HIS 82 CO 0.36 0.52 1.46 1.55 -0.85 0.00 0.00 174.74 177.78 1sqw n VAL 83 N 0.22 1.21 0.31 -0.90 3.14 -1.26 -1.24 118.33 119.80 1sqw n VAL 83 Ca -0.04 0.41 0.16 0.00 -2.96 0.00 0.00 64.34 61.91 1sqw n VAL 83 Cb 0.51 -1.33 0.73 0.00 -1.06 0.00 0.00 33.84 32.69 1sqw n VAL 83 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1sqw h THR 84 N 0.00 0.00 0.00 1.55 1.35 -1.90 -1.29 112.91 112.62 1sqw h THR 84 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1sqw h THR 84 Cb 0.16 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1sqw h THR 84 CO 0.00 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 175.12 1sqw n ALA 85 N -1.95 2.67 -0.16 6.62 0.00 -0.38 -4.34 120.51 122.98 1sqw n ALA 85 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 1sqw n ALA 85 Cb 0.19 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.32 1sqw n ALA 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1sqw h LEU 86 N 0.00 -0.34 -1.78 0.00 5.85 -1.40 -2.10 115.31 115.53 1sqw h LEU 86 Ca 0.00 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1sqw h LEU 86 Cb 0.51 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1sqw h LEU 86 CO 0.00 -0.12 0.25 0.44 -0.34 0.00 0.00 178.44 178.66 1sqw h ASP 87 N 0.05 0.24 0.43 1.25 3.32 -1.80 -0.80 116.42 119.11 1sqw h ASP 87 Ca 0.24 -0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.98 1sqw h ASP 87 Cb 0.37 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1sqw h ASP 87 CO -0.46 0.16 -1.55 1.88 -1.72 0.00 0.00 179.24 177.54 1sqw h TYR 88 N 0.27 0.46 0.10 4.55 0.05 -1.70 -3.39 116.97 117.31 1sqw h TYR 88 Ca 0.16 -0.33 -0.31 0.00 0.05 0.00 0.00 58.73 58.29 1sqw h TYR 88 Cb 0.28 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1sqw h TYR 88 CO -0.00 1.40 -1.61 -0.07 -1.05 0.00 0.00 178.16 176.83 1sqw h LEU 89 N 0.07 0.32 -0.74 3.88 4.07 -1.26 -3.39 115.31 118.26 1sqw h LEU 89 Ca -0.25 -0.51 0.17 0.00 0.08 0.00 0.00 57.88 57.37 1sqw h LEU 89 Cb 2.02 -0.11 -0.13 0.00 1.08 0.00 0.00 40.66 43.53 1sqw h LEU 89 CO 0.16 1.43 0.03 0.00 -1.08 0.00 0.00 178.44 178.98 1sqw h ALA 90 N 0.52 0.81 0.00 1.53 0.00 -1.34 0.21 119.26 120.99 1sqw h ALA 90 Ca -0.27 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sqw h ALA 90 Cb 2.01 0.39 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1sqw h ALA 90 CO 0.14 -0.41 0.00 -1.35 0.00 0.00 0.00 179.25 177.62 1sqw h PRO 91 N 0.12 0.00 -0.24 0.00 0.11 -1.78 -2.72 132.00 127.50 1sqw h PRO 91 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1sqw h PRO 91 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1sqw h PRO 91 CO -0.64 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.81 1sqw n TYR 92 N -2.86 0.40 -3.19 0.65 4.01 0.69 -4.96 117.16 111.90 1sqw n TYR 92 Ca -0.02 -0.57 -0.42 0.00 -0.16 0.00 0.00 57.90 56.72 1sqw n TYR 92 Cb 0.09 -0.08 -0.07 0.00 -0.31 0.00 0.00 39.34 38.97 1sqw n TYR 92 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sqw s ALA 93 N -1.33 3.42 0.17 -0.72 0.00 -0.87 -4.51 121.76 117.91 1sqw s ALA 93 Ca 0.21 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 1sqw s ALA 93 Cb 0.13 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 20.15 1sqw s ALA 93 CO 0.11 -1.50 1.62 -0.22 0.00 0.00 0.00 175.76 175.76 1sqw h LYS 94 N 8.66 1.04 -4.94 0.00 3.64 -1.88 -3.41 116.57 119.67 1sqw h LYS 94 Ca -0.27 -0.35 -0.66 0.00 -1.27 0.00 0.00 60.65 58.10 1sqw h LYS 94 Cb 1.11 -0.08 -0.17 0.00 -0.41 0.00 0.00 32.23 32.68 1sqw h LYS 94 CO 0.83 1.04 -0.31 0.71 -2.27 0.00 0.00 179.45 179.45 1sqw s TYR 95 N -4.96 3.21 0.15 1.91 2.02 -1.26 -4.92 117.35 113.50 1sqw s TYR 95 Ca -0.12 -0.01 0.09 0.00 -0.37 0.00 0.00 57.07 56.66 1sqw s TYR 95 Cb 0.13 -2.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 1sqw s TYR 95 CO 0.86 -0.40 -0.20 0.15 -1.57 0.00 0.00 175.55 174.38 1sqw s LYS 96 N 1.98 1.25 -0.04 -0.62 1.02 -1.26 -2.44 119.74 119.64 1sqw s LYS 96 Ca 0.11 -1.34 0.03 0.00 0.02 0.00 0.00 55.97 54.79 1sqw s LYS 96 Cb -0.17 -1.42 0.01 0.00 -0.52 0.00 0.00 37.83 35.73 1sqw s LYS 96 CO 0.11 0.30 -0.11 0.14 -0.92 0.00 0.00 175.35 174.88 1sqw s VAL 97 N -1.70 0.98 -0.19 3.17 -7.23 -0.72 -1.22 120.40 113.50 1sqw s VAL 97 Ca 0.13 -0.45 -0.05 0.00 -1.81 0.00 0.00 61.98 59.80 1sqw s VAL 97 Cb -0.07 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.96 1sqw s VAL 97 CO 0.06 0.30 0.01 0.26 -0.31 0.00 0.00 175.10 175.42 1sqw s TRP 98 N 0.31 3.09 0.12 2.82 0.51 0.18 -0.09 118.94 125.87 1sqw s TRP 98 Ca -0.06 -0.28 0.09 0.00 -2.12 0.00 0.00 56.10 53.73 1sqw s TRP 98 Cb -0.11 -2.06 -0.04 0.00 -0.81 0.00 0.00 33.47 30.45 1sqw s TRP 98 CO 0.01 -0.10 -0.20 0.96 -0.51 0.00 0.00 176.95 177.12 1sqw s ILE 99 N 0.72 2.71 0.84 2.03 -4.36 0.55 0.24 121.20 123.93 1sqw s ILE 99 Ca 0.01 -1.56 -0.12 0.00 -0.26 0.00 0.00 60.65 58.72 1sqw s ILE 99 Cb -0.14 -2.23 0.10 0.00 1.25 0.00 0.00 42.46 41.44 1sqw s ILE 99 CO 0.02 0.10 1.10 -0.54 0.24 0.00 0.00 174.94 175.87 1sqw s LYS 100 N -2.11 1.71 0.27 0.37 1.02 0.14 -3.04 119.74 118.11 1sqw s LYS 100 Ca 0.17 0.59 -0.02 0.00 0.02 0.00 0.00 55.97 56.73 1sqw s LYS 100 Cb -0.10 -1.88 0.58 0.00 -0.52 0.00 0.00 37.83 35.91 1sqw s LYS 100 CO 0.09 -1.87 1.64 -1.35 -0.92 0.00 0.00 175.35 172.94 1sqw h PRO 101 N -1.27 0.15 -0.33 -1.68 0.11 -1.98 0.20 132.00 127.19 1sqw h PRO 101 Ca -0.48 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1sqw h PRO 101 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1sqw h PRO 101 CO 0.59 0.10 0.09 0.78 -0.21 0.00 0.00 178.00 179.35 1sqw h GLY 102 N 0.15 0.57 1.34 -0.55 0.00 -1.95 -1.48 103.07 101.16 1sqw h GLY 102 Ca 0.49 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.39 1sqw h GLY 102 CO -0.67 0.32 -0.07 0.00 0.00 0.00 0.00 176.54 176.11 1sqw h ALA 103 N 0.93 1.03 -0.59 3.60 0.00 -1.67 -2.42 119.26 120.13 1sqw h ALA 103 Ca 0.11 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1sqw h ALA 103 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1sqw h ALA 103 CO -0.00 0.59 0.38 1.49 0.00 0.00 0.00 179.25 181.71 1sqw h GLU 104 N 0.72 0.76 -0.28 0.00 4.81 -0.35 0.69 114.58 120.92 1sqw h GLU 104 Ca 0.13 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1sqw h GLU 104 Cb 0.55 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1sqw h GLU 104 CO 0.03 0.50 0.07 0.37 -0.73 0.00 0.00 179.01 179.25 1sqw h GLN 105 N 0.78 0.46 -0.51 1.92 4.15 -1.05 -2.00 115.11 118.85 1sqw h GLN 105 Ca 0.22 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1sqw h GLN 105 Cb -0.07 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1sqw h GLN 105 CO -0.06 0.54 0.18 1.03 -1.93 0.00 0.00 178.83 178.60 1sqw h SER 106 N 0.29 0.72 -0.81 -0.69 0.87 -1.15 -2.84 113.55 109.94 1sqw h SER 106 Ca 0.09 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1sqw h SER 106 Cb 0.29 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1sqw h SER 106 CO 0.00 0.71 0.45 0.15 -0.53 0.00 0.00 176.83 177.62 1sqw h PHE 107 N 0.68 1.10 0.00 2.24 3.57 -0.79 0.95 116.94 124.70 1sqw h PHE 107 Ca 0.17 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1sqw h PHE 107 Cb 0.23 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1sqw h PHE 107 CO 0.01 0.76 0.00 1.28 -2.23 0.00 0.00 178.31 178.13 1sqw n LEU 108 N -4.42 0.00 -0.72 0.59 4.77 -0.76 -0.32 117.00 116.14 1sqw n LEU 108 Ca 0.08 0.18 0.07 0.00 -0.03 0.00 0.00 56.01 56.30 1sqw n LEU 108 Cb 0.09 -0.18 0.17 0.00 -2.33 0.00 0.00 43.42 41.16 1sqw n LEU 108 CO 0.38 -0.07 0.63 -1.22 -1.33 0.00 0.00 177.39 175.78 1sqw n TYR 109 N -1.18 0.48 -0.65 -1.77 4.01 -0.31 -4.22 117.16 113.53 1sqw n TYR 109 Ca 0.11 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 1sqw n TYR 109 Cb 0.12 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1sqw n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sqw n GLY 110 N 0.69 0.62 3.97 2.72 0.00 0.56 -5.06 105.19 108.70 1sqw n GLY 110 Ca 0.13 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 1sqw n GLY 110 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sqw s ASN 111 N -2.45 5.77 0.63 1.61 0.01 0.18 -4.90 114.94 115.78 1sqw s ASN 111 Ca 0.00 -0.30 -0.14 0.00 -0.71 0.00 0.00 52.86 51.70 1sqw s ASN 111 Cb 0.00 -1.05 -0.02 0.00 0.41 0.00 0.00 41.25 40.59 1sqw s ASN 111 CO 0.00 -0.50 1.06 -1.00 -1.51 0.00 0.00 177.10 175.15 1sqw s HIS 112 N -2.24 3.03 -0.18 2.20 3.76 -1.26 -3.84 115.29 116.76 1sqw s HIS 112 Ca 0.47 1.48 -0.20 0.00 -0.15 0.00 0.00 55.06 56.66 1sqw s HIS 112 Cb -0.09 -2.96 -0.03 0.00 1.11 0.00 0.00 32.58 30.61 1sqw s HIS 112 CO 0.31 -1.14 0.59 0.08 -0.85 0.00 0.00 174.74 173.73 1sqw s VAL 113 N -2.65 5.06 0.28 -0.90 1.01 -0.34 -4.74 120.40 118.13 1sqw s VAL 113 Ca 0.62 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.73 1sqw s VAL 113 Cb -0.15 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1sqw s VAL 113 CO 0.43 0.16 0.46 -0.76 0.00 0.00 0.00 175.10 175.39 1sqw s LEU 114 N 1.61 4.15 0.32 3.92 1.43 -1.26 -0.23 118.68 128.61 1sqw s LEU 114 Ca 0.28 0.35 0.09 0.00 -1.03 0.00 0.00 54.13 53.82 1sqw s LEU 114 Cb -0.16 -3.17 0.87 0.00 0.03 0.00 0.00 46.19 43.76 1sqw s LEU 114 CO 0.11 -0.16 1.73 0.50 0.23 0.00 0.00 176.35 178.76 1sqw h LYS 115 N 1.25 0.58 -0.14 1.70 1.63 -0.67 0.12 116.57 121.04 1sqw h LYS 115 Ca -0.50 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.31 1sqw h LYS 115 Cb 1.21 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 1sqw h LYS 115 CO 0.63 0.38 0.16 0.66 -3.45 0.00 0.00 179.45 177.83 1sqw h SER 116 N 0.59 0.00 -0.34 4.20 4.64 -1.54 -1.33 113.55 119.76 1sqw h SER 116 Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 1sqw h SER 116 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1sqw h SER 116 CO -0.47 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.10 1sqw n GLY 117 N -1.38 1.56 3.60 -0.77 0.00 0.41 -4.90 105.19 103.70 1sqw n GLY 117 Ca 0.01 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1sqw n GLY 117 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqw s LEU 118 N -1.54 3.86 -0.13 0.99 2.96 -0.50 0.25 118.68 124.56 1sqw s LEU 118 Ca 0.38 0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 54.63 1sqw s LEU 118 Cb 0.22 -3.39 -0.25 0.00 0.50 0.00 0.00 46.19 43.28 1sqw s LEU 118 CO 0.31 -1.05 0.42 1.23 -1.32 0.00 0.00 176.35 175.94 1sqw h GLY 119 N 10.61 0.22 -4.61 7.98 0.00 -0.53 -3.46 103.07 113.28 1sqw h GLY 119 Ca -0.23 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.52 1sqw h GLY 119 CO 1.05 0.48 0.20 -1.60 0.00 0.00 0.00 176.54 176.68 1sqw s ARG 120 N -2.47 0.88 0.01 4.80 3.52 -0.82 -4.96 118.95 119.91 1sqw s ARG 120 Ca -0.23 0.63 0.02 0.00 -0.13 0.00 0.00 55.73 56.02 1sqw s ARG 120 Cb 0.05 0.42 -0.01 0.00 -1.56 0.00 0.00 34.95 33.86 1sqw s ARG 120 CO 0.72 -0.19 -0.05 -1.50 -0.81 0.00 0.00 175.30 173.47 1sqw s ILE 121 N -0.33 0.38 0.46 4.11 2.07 -1.26 0.49 121.20 127.13 1sqw s ILE 121 Ca -0.04 -0.37 -0.25 0.00 -1.41 0.00 0.00 60.65 58.58 1sqw s ILE 121 Cb -0.03 -0.36 -0.08 0.00 0.13 0.00 0.00 42.46 42.13 1sqw s ILE 121 CO 0.04 0.00 1.42 -0.89 -1.91 0.00 0.00 174.94 173.60 1sqw s THR 122 N -0.37 2.08 0.55 4.00 2.01 -0.35 -4.95 115.64 118.60 1sqw s THR 122 Ca -0.01 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.85 1sqw s THR 122 Cb -0.03 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 1sqw s THR 122 CO -0.00 0.01 1.26 -1.61 -0.69 0.00 0.00 174.62 173.59 1sqw s GLU 123 N -2.50 3.20 -1.56 4.92 0.41 -1.26 -3.17 118.70 118.74 1sqw s GLU 123 Ca 0.62 1.98 -0.05 0.00 -0.41 0.00 0.00 54.97 57.11 1sqw s GLU 123 Cb -0.43 -2.16 0.01 0.00 -1.78 0.00 0.00 34.13 29.76 1sqw s GLU 123 CO 0.55 -1.07 0.63 -1.71 -0.49 0.00 0.00 175.26 173.18 1sqw n ASN 124 N -1.14 -6.18 -4.64 -0.19 5.15 -1.26 -4.95 115.26 102.05 1sqw n ASN 124 Ca 0.11 -0.30 -0.43 0.00 -0.60 0.00 0.00 54.58 53.37 1sqw n ASN 124 Cb 0.47 -4.98 -0.03 0.00 -0.53 0.00 0.00 39.78 34.72 1sqw n ASN 124 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1sqw s THR 125 N -3.19 4.65 0.64 -0.44 2.01 -1.19 -4.96 115.64 113.16 1sqw s THR 125 Ca 0.31 1.75 -0.12 0.00 0.31 0.00 0.00 61.69 63.94 1sqw s THR 125 Cb -0.14 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.04 1sqw s THR 125 CO 0.39 -0.29 1.04 -0.44 -0.69 0.00 0.00 174.62 174.63 1sqw s SER 126 N 1.44 5.89 0.32 3.53 0.01 -1.26 -1.57 113.70 122.07 1sqw s SER 126 Ca 0.42 1.55 -0.29 0.00 1.31 0.00 0.00 55.95 58.94 1sqw s SER 126 Cb -0.14 -2.49 -0.11 0.00 0.21 0.00 0.00 66.02 63.49 1sqw s SER 126 CO 0.10 -1.10 1.45 -1.58 0.41 0.00 0.00 173.24 172.52 1sqw s GLN 127 N -4.90 4.21 0.00 12.44 0.74 -1.26 -2.11 119.66 128.78 1sqw s GLN 127 Ca 0.57 2.42 0.00 0.00 0.05 0.00 0.00 55.36 58.41 1sqw s GLN 127 Cb -0.13 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 30.95 1sqw s GLN 127 CO 0.50 -0.44 0.00 0.66 -0.55 0.00 0.00 175.29 175.47 1sqw n TYR 128 N 1.22 0.00 -2.36 1.67 4.01 0.22 -4.97 117.16 116.95 1sqw n TYR 128 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 1sqw n TYR 128 Cb 0.40 -0.57 -0.03 0.00 -0.31 0.00 0.00 39.34 38.82 1sqw n TYR 128 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1sqw s GLN 129 N -0.56 4.52 0.03 -0.72 2.00 -0.90 -4.66 119.66 119.37 1sqw s GLN 129 Ca 0.00 1.91 -0.30 0.00 -2.00 0.00 0.00 55.36 54.97 1sqw s GLN 129 Cb 0.00 -3.20 -0.06 0.00 0.80 0.00 0.00 33.01 30.55 1sqw s GLN 129 CO 0.00 -0.01 1.46 0.20 -0.50 0.00 0.00 175.29 176.44 1sqw s GLY 130 N -0.27 1.79 0.21 2.59 0.00 -1.13 -1.24 107.32 109.28 1sqw s GLY 130 Ca 0.50 0.99 0.09 0.00 0.00 0.00 0.00 44.72 46.30 1sqw s GLY 130 CO 0.40 2.59 -0.18 -1.34 0.00 0.00 0.00 173.10 174.58 1sqw s VAL 131 N 2.33 1.99 -0.20 1.40 -7.23 0.50 -4.59 120.40 114.60 1sqw s VAL 131 Ca 0.66 -2.17 -0.09 0.00 -1.81 0.00 0.00 61.98 58.57 1sqw s VAL 131 Cb -0.34 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 1sqw s VAL 131 CO 0.28 -0.44 0.10 -0.69 -0.31 0.00 0.00 175.10 174.05 1sqw s VAL 132 N -2.51 5.07 -0.07 1.32 1.01 -1.02 -1.28 120.40 122.92 1sqw s VAL 132 Ca 0.22 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 1sqw s VAL 132 Cb -0.04 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1sqw s VAL 132 CO 0.09 0.42 0.45 -0.69 0.00 0.00 0.00 175.10 175.38 1sqw s VAL 133 N 0.57 5.12 0.20 2.92 1.01 0.04 -1.75 120.40 128.51 1sqw s VAL 133 Ca 0.06 0.92 0.08 0.00 0.00 0.00 0.00 61.98 63.03 1sqw s VAL 133 Cb -0.12 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1sqw s VAL 133 CO 0.01 0.41 -0.15 -0.31 0.00 0.00 0.00 175.10 175.06 1sqw s TYR 134 N 0.03 1.71 0.76 5.22 2.02 0.87 -0.25 117.35 127.71 1sqw s TYR 134 Ca 0.25 -0.57 -0.07 0.00 -0.37 0.00 0.00 57.07 56.31 1sqw s TYR 134 Cb -0.16 -0.80 0.11 0.00 -0.40 0.00 0.00 41.96 40.72 1sqw s TYR 134 CO 0.11 0.35 1.07 -1.54 -1.57 0.00 0.00 175.55 173.98 1sqw s SER 135 N -3.29 4.33 0.15 2.29 1.04 -0.48 -0.33 113.70 117.41 1sqw s SER 135 Ca 0.22 0.19 0.19 0.00 0.48 0.00 0.00 55.95 57.03 1sqw s SER 135 Cb -0.01 -0.64 0.82 0.00 0.10 0.00 0.00 66.02 66.29 1sqw s SER 135 CO 0.07 -1.90 1.60 0.23 0.98 0.00 0.00 173.24 174.21 1sqw n MET 136 N -3.07 0.11 -0.42 4.02 0.00 -1.17 -1.19 117.12 115.41 1sqw n MET 136 Ca 0.11 0.36 0.07 0.00 0.00 0.00 0.00 57.70 58.24 1sqw n MET 136 Cb 0.60 -1.72 0.25 0.00 0.00 0.00 0.00 33.22 32.36 1sqw n MET 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sqw n ALA 137 N -1.66 2.86 -2.40 3.04 0.00 -1.26 -4.91 120.51 116.18 1sqw n ALA 137 Ca 0.03 -1.09 -0.14 0.00 0.00 0.00 0.00 53.44 52.24 1sqw n ALA 137 Cb 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1sqw n ALA 137 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1sqw n ASP 138 N 0.78 -4.40 -4.70 0.00 4.64 -0.33 -5.01 116.55 107.53 1sqw n ASP 138 Ca 0.18 -0.06 -0.36 0.00 -1.38 0.00 0.00 54.79 53.17 1sqw n ASP 138 Cb 0.63 -3.48 -0.09 0.00 -1.04 0.00 0.00 41.12 37.14 1sqw n ASP 138 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1sqw s ILE 139 N -2.77 5.39 0.16 5.18 1.01 -1.26 -4.84 121.20 124.07 1sqw s ILE 139 Ca 0.05 0.19 -0.32 0.00 0.00 0.00 0.00 60.65 60.58 1sqw s ILE 139 Cb -0.02 -3.48 -0.10 0.00 0.01 0.00 0.00 42.46 38.86 1sqw s ILE 139 CO 0.07 0.40 1.58 -2.84 0.00 0.00 0.00 174.94 174.15 1sqw s PRO 140 N 0.65 4.21 -0.02 2.79 0.02 -1.26 -1.38 135.00 139.99 1sqw s PRO 140 Ca 0.08 2.38 0.08 0.00 0.02 0.00 0.00 61.00 63.56 1sqw s PRO 140 Cb -0.12 -3.17 -0.13 0.00 0.02 0.00 0.00 34.50 31.10 1sqw s PRO 140 CO 0.01 -0.62 0.16 1.28 -0.33 0.00 0.00 177.00 177.49 1sqw n LEU 141 N 4.05 0.00 0.00 -5.54 4.77 0.65 -4.93 117.00 116.00 1sqw n LEU 141 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1sqw n LEU 141 Cb 0.38 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1sqw n LEU 141 CO 0.62 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1sqw n GLY 142 N 2.11 -0.56 3.58 -0.72 0.00 -1.17 -0.68 105.19 107.74 1sqw n GLY 142 Ca -0.04 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 1sqw n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sqw s PHE 143 N -2.95 2.88 0.33 1.61 0.08 0.23 -0.78 117.98 119.38 1sqw s PHE 143 Ca 0.00 -0.03 -0.03 0.00 0.12 0.00 0.00 56.93 56.99 1sqw s PHE 143 Cb 0.00 -1.65 -0.00 0.00 -0.57 0.00 0.00 43.02 40.80 1sqw s PHE 143 CO 0.00 0.34 0.45 0.20 -0.10 0.00 0.00 175.22 176.11 1sqw s GLY 144 N -1.11 1.44 -0.08 4.36 0.00 -0.40 -0.53 107.32 110.99 1sqw s GLY 144 Ca 0.15 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.39 1sqw s GLY 144 CO 0.04 -1.01 -0.11 0.14 0.00 0.00 0.00 173.10 172.16 1sqw s VAL 145 N -3.22 1.13 0.07 1.40 1.01 0.05 -0.37 120.40 120.46 1sqw s VAL 145 Ca 0.31 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 1sqw s VAL 145 Cb 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 1sqw s VAL 145 CO 0.19 0.36 1.89 0.00 0.00 0.00 0.00 175.10 177.55 1sqw s ALA 146 N 0.94 3.66 -0.41 5.51 0.00 -0.37 -0.27 121.76 130.82 1sqw s ALA 146 Ca -0.09 1.36 0.22 0.00 0.00 0.00 0.00 51.96 53.45 1sqw s ALA 146 Cb -0.15 -3.81 0.33 0.00 0.00 0.00 0.00 23.12 19.49 1sqw s ALA 146 CO 0.00 -1.42 1.60 0.00 0.00 0.00 0.00 175.76 175.95 1sqw h ALA 147 N 9.70 0.98 -2.58 0.00 0.00 -0.22 0.62 119.26 127.76 1sqw h ALA 147 Ca -0.48 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1sqw h ALA 147 Cb 1.23 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1sqw h ALA 147 CO 0.94 0.05 -0.47 0.15 0.00 0.00 0.00 179.25 179.92 1sqw s LYS 148 N -3.20 1.13 0.91 0.00 -0.14 -1.25 -4.70 119.74 112.48 1sqw s LYS 148 Ca 0.07 -1.36 -0.12 0.00 -1.36 0.00 0.00 55.97 53.20 1sqw s LYS 148 Cb 0.05 0.32 0.14 0.00 -1.68 0.00 0.00 37.83 36.66 1sqw s LYS 148 CO 0.67 -0.38 1.13 -1.54 -0.76 0.00 0.00 175.35 174.47 1sqw s SER 149 N -3.04 3.52 0.14 2.83 1.04 -1.26 -4.29 113.70 112.64 1sqw s SER 149 Ca 0.24 1.01 -0.22 0.00 0.48 0.00 0.00 55.95 57.46 1sqw s SER 149 Cb 0.05 -1.61 -0.01 0.00 0.10 0.00 0.00 66.02 64.56 1sqw s SER 149 CO 0.04 -2.55 1.66 0.74 0.98 0.00 0.00 173.24 174.11 1sqw h THR 150 N -1.49 0.55 -0.43 2.02 2.02 -1.60 0.87 112.91 114.85 1sqw h THR 150 Ca -0.51 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.71 1sqw h THR 150 Cb 1.33 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 1sqw h THR 150 CO 0.61 0.00 0.22 1.56 0.37 0.00 0.00 175.52 178.28 1sqw h GLN 151 N -0.20 0.42 0.00 6.66 4.20 -1.93 -2.12 115.11 122.15 1sqw h GLN 151 Ca 0.11 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1sqw h GLN 151 Cb 0.35 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1sqw h GLN 151 CO -0.27 0.28 -0.29 -0.44 -0.67 0.00 0.00 178.83 177.44 1sqw h ASP 152 N 0.43 0.00 -0.51 1.46 5.19 -1.81 -2.69 116.42 118.49 1sqw h ASP 152 Ca 0.19 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1sqw h ASP 152 Cb 0.09 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 1sqw h ASP 152 CO -0.13 0.29 0.34 0.00 -3.12 0.00 0.00 179.24 176.62 1sqw h ARG 154 N 0.68 0.00 -0.02 0.00 3.08 -1.38 -3.24 114.38 113.49 1sqw h ARG 154 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1sqw h ARG 154 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1sqw h ARG 154 CO -0.04 0.09 -0.10 1.63 -1.07 0.00 0.00 179.97 180.47 1sqw n LYS 155 N -3.34 1.75 -2.71 0.04 4.76 -0.33 -5.00 118.16 113.33 1sqw n LYS 155 Ca -0.01 -1.52 -0.25 0.00 -2.87 0.00 0.00 58.31 53.66 1sqw n LYS 155 Cb 0.27 -1.39 0.02 0.00 -1.84 0.00 0.00 35.03 32.09 1sqw n LYS 155 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1sqw s VAL 156 N -1.83 3.92 0.60 -0.18 -7.23 -1.11 -5.06 120.40 109.51 1sqw s VAL 156 Ca 0.22 -0.23 -0.16 0.00 -1.81 0.00 0.00 61.98 60.00 1sqw s VAL 156 Cb 0.17 -3.50 -0.03 0.00 0.56 0.00 0.00 36.38 33.58 1sqw s VAL 156 CO 0.31 -0.43 1.08 1.51 -0.31 0.00 0.00 175.10 177.26 1sqw s ASP 157 N -4.25 5.60 0.43 4.85 -4.77 -1.26 -4.91 116.67 112.37 1sqw s ASP 157 Ca 0.51 1.91 0.25 0.00 -3.30 0.00 0.00 52.55 51.92 1sqw s ASP 157 Cb -0.10 -2.54 1.29 0.00 -1.09 0.00 0.00 42.92 40.47 1sqw s ASP 157 CO 0.41 -1.29 1.71 -0.65 0.70 0.00 0.00 175.17 176.06 1sqw h PRO 158 N 0.44 0.22 -0.00 2.11 0.11 -1.97 -0.58 132.00 132.32 1sqw h PRO 158 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1sqw h PRO 158 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sqw h PRO 158 CO 0.56 0.14 -0.13 -1.33 -0.21 0.00 0.00 178.00 177.04 1sqw n MET 159 N -4.59 0.77 -2.62 1.05 2.81 -1.26 -1.47 117.12 111.82 1sqw n MET 159 Ca 0.30 -0.31 -0.37 0.00 -1.81 0.00 0.00 57.70 55.51 1sqw n MET 159 Cb 1.15 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 32.12 1sqw n MET 159 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sqw s ALA 160 N -2.44 3.14 -0.02 3.04 0.00 -0.23 -4.78 121.76 120.47 1sqw s ALA 160 Ca 0.29 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 1sqw s ALA 160 Cb 0.20 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1sqw s ALA 160 CO 0.47 -0.08 1.24 0.42 0.00 0.00 0.00 175.76 177.81 1sqw s ILE 161 N -1.63 4.09 -0.10 0.00 1.01 -1.26 -0.46 121.20 122.84 1sqw s ILE 161 Ca 0.55 1.45 0.13 0.00 0.00 0.00 0.00 60.65 62.78 1sqw s ILE 161 Cb -0.21 -3.93 -0.19 0.00 0.01 0.00 0.00 42.46 38.14 1sqw s ILE 161 CO 0.27 0.02 0.13 1.33 0.00 0.00 0.00 174.94 176.69 1sqw n VAL 162 N 4.47 0.67 -3.90 2.92 0.24 0.67 -4.69 118.33 118.72 1sqw n VAL 162 Ca 0.11 -0.51 -0.20 0.00 -2.04 0.00 0.00 64.34 61.70 1sqw n VAL 162 Cb 0.46 -0.41 -0.17 0.00 -1.47 0.00 0.00 33.84 32.25 1sqw n VAL 162 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1sqw s VAL 163 N -2.53 0.27 -0.04 3.34 1.01 -0.98 0.50 120.40 121.97 1sqw s VAL 163 Ca -0.06 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 1sqw s VAL 163 Cb 0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1sqw s VAL 163 CO 0.58 0.20 0.90 -0.36 0.00 0.00 0.00 175.10 176.41 1sqw s PHE 164 N 1.39 3.60 0.26 5.22 0.08 0.63 -1.20 117.98 127.97 1sqw s PHE 164 Ca -0.04 1.53 -0.29 0.00 0.12 0.00 0.00 56.93 58.24 1sqw s PHE 164 Cb -0.13 -3.03 -0.09 0.00 -0.57 0.00 0.00 43.02 39.19 1sqw s PHE 164 CO -0.02 -0.03 1.26 -1.58 -0.10 0.00 0.00 175.22 174.74 1sqw s HIS 165 N 1.17 3.26 -0.04 0.36 5.65 -1.26 -0.77 115.29 123.65 1sqw s HIS 165 Ca 0.47 1.40 -0.02 0.00 0.25 0.00 0.00 55.06 57.16 1sqw s HIS 165 Cb -0.19 -3.55 -0.02 0.00 -1.18 0.00 0.00 32.58 27.63 1sqw s HIS 165 CO 0.23 -1.55 -0.05 1.04 -0.65 0.00 0.00 174.74 173.76 1sqw n GLN 166 N 1.67 0.08 -3.58 2.88 1.13 0.31 -4.86 117.38 115.01 1sqw n GLN 166 Ca 0.02 0.03 -0.17 0.00 -1.94 0.00 0.00 57.00 54.95 1sqw n GLN 166 Cb 0.43 -0.68 -0.07 0.00 0.11 0.00 0.00 30.24 30.03 1sqw n GLN 166 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sqw s ALA 167 N -2.07 -1.55 0.06 -1.58 0.00 -0.76 -4.96 121.76 110.90 1sqw s ALA 167 Ca -0.05 1.16 -0.03 0.00 0.00 0.00 0.00 51.96 53.04 1sqw s ALA 167 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1sqw s ALA 167 CO 0.07 -0.34 0.03 0.16 0.00 0.00 0.00 175.76 175.68 1sqw s ASP 168 N -1.07 0.37 0.00 0.00 -4.77 -1.26 -0.60 116.67 109.34 1sqw s ASP 168 Ca -0.10 -0.86 0.27 0.00 -3.30 0.00 0.00 52.55 48.55 1sqw s ASP 168 Cb -0.01 0.23 1.55 0.00 -1.09 0.00 0.00 42.92 43.59 1sqw s ASP 168 CO 0.08 -0.60 1.94 2.30 0.70 0.00 0.00 175.17 179.58 1sqw n ILE 169 N 0.20 0.03 0.08 2.11 -5.35 0.15 -2.81 119.36 113.78 1sqw n ILE 169 Ca -0.15 0.01 -0.08 0.00 -0.27 0.00 0.00 62.75 62.26 1sqw n ILE 169 Cb 0.61 -0.59 -0.05 0.00 -1.74 0.00 0.00 39.64 37.87 1sqw n ILE 169 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1sqw h GLY 170 N 4.20 0.09 1.35 3.28 0.00 -1.83 -1.05 103.07 109.11 1sqw h GLY 170 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1sqw h GLY 170 CO 0.00 0.17 0.27 1.05 0.00 0.00 0.00 176.54 178.02 1sqw h GLU 171 N 0.04 0.00 0.00 4.80 4.11 -1.74 -3.31 114.58 118.48 1sqw h GLU 171 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1sqw h GLU 171 Cb 1.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1sqw h GLU 171 CO 0.13 0.00 0.00 2.48 0.07 0.00 0.00 179.01 181.69 1sqw n TYR 172 N -2.35 0.00 0.32 2.06 -0.00 -1.22 -4.87 117.16 111.10 1sqw n TYR 172 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 1sqw n TYR 172 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.64 1sqw n TYR 172 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.86 178.41 1sqw n VAL 173 N -0.72 0.43 0.00 -3.48 3.14 -0.40 -4.20 118.33 113.09 1sqw n VAL 173 Ca 0.00 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1sqw n VAL 173 Cb 0.00 -0.75 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 1sqw n VAL 173 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1sqw n ARG 174 N 0.92 0.00 -0.43 1.45 1.74 -1.26 -4.53 116.66 114.56 1sqw n ARG 174 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1sqw n ARG 174 Cb 0.19 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1sqw n ARG 174 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1sqw n HIS 175 N -0.90 0.00 0.00 -1.55 8.25 -1.26 -5.23 115.22 114.53 1sqw n HIS 175 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1sqw n HIS 175 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1sqw n HIS 175 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13