#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtu s LEU 3 N 0.00 2.92 -0.22 2.45 2.96 -1.26 -0.22 118.68 125.31 1xtu s LEU 3 Ca 0.00 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1xtu s LEU 3 Cb 0.00 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 45.04 1xtu s LEU 3 CO 0.00 0.11 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.73 1xtu s TYR 4 N 0.73 2.57 -0.47 5.38 1.51 0.24 -4.95 117.35 122.36 1xtu s TYR 4 Ca -0.03 -1.75 -0.11 0.00 -1.01 0.00 0.00 57.07 54.16 1xtu s TYR 4 Cb -0.15 -1.69 0.11 0.00 -0.11 0.00 0.00 41.96 40.12 1xtu s TYR 4 CO 0.02 -0.78 0.35 0.08 -1.11 0.00 0.00 175.55 174.12 1xtu s VAL 5 N 1.34 4.46 -0.92 0.71 1.01 -1.26 -0.53 120.40 125.21 1xtu s VAL 5 Ca -0.03 -1.58 -0.22 0.00 0.00 0.00 0.00 61.98 60.15 1xtu s VAL 5 Cb -0.17 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.44 1xtu s VAL 5 CO -0.07 -0.70 1.26 -0.63 0.00 0.00 0.00 175.10 174.95 1xtu s ILE 6 N 1.44 4.26 -0.60 2.22 -1.09 0.30 -4.85 121.20 122.88 1xtu s ILE 6 Ca 0.04 -0.94 0.02 0.00 -2.23 0.00 0.00 60.65 57.54 1xtu s ILE 6 Cb -0.26 -4.90 0.40 0.00 -1.58 0.00 0.00 42.46 36.12 1xtu s ILE 6 CO 0.01 -1.72 1.54 -0.90 -1.23 0.00 0.00 174.94 172.64 1xtu n ASP 7 N 7.90 6.03 -4.88 3.58 5.68 -1.26 -4.49 116.55 129.10 1xtu n ASP 7 Ca 0.23 -3.77 -0.29 0.00 -0.50 0.00 0.00 54.79 50.45 1xtu n ASP 7 Cb 0.50 -0.72 -0.00 0.00 -1.14 0.00 0.00 41.12 39.75 1xtu n ASP 7 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1xtu s LYS 8 N -3.77 3.63 0.18 0.11 1.02 -1.26 -4.83 119.74 114.82 1xtu s LYS 8 Ca 0.51 0.48 -0.27 0.00 0.02 0.00 0.00 55.97 56.72 1xtu s LYS 8 Cb 0.42 -2.26 0.03 0.00 -0.52 0.00 0.00 37.83 35.50 1xtu s LYS 8 CO -0.24 -0.31 1.55 -1.35 -0.92 0.00 0.00 175.35 174.07 1xtu h PRO 9 N 0.24 -0.04 -0.98 -1.68 0.11 -1.99 -0.90 132.00 126.77 1xtu h PRO 9 Ca -0.46 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1xtu h PRO 9 Cb 1.20 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1xtu h PRO 9 CO 0.62 -0.03 0.62 0.97 -0.21 0.00 0.00 178.00 179.98 1xtu h ILE 10 N -0.04 1.05 0.00 4.15 6.09 -1.98 0.43 117.51 127.20 1xtu h ILE 10 Ca 0.21 -0.38 -0.14 0.00 -1.37 0.00 0.00 64.86 63.18 1xtu h ILE 10 Cb 0.49 -0.15 -0.02 0.00 0.47 0.00 0.00 36.82 37.60 1xtu h ILE 10 CO -0.91 0.20 -0.69 0.71 -3.07 0.00 0.00 178.15 174.39 1xtu h THR 11 N 1.11 1.48 -0.09 2.19 1.35 -1.60 -1.66 112.91 115.68 1xtu h THR 11 Ca 0.43 -2.36 -0.23 0.00 -0.55 0.00 0.00 66.41 63.71 1xtu h THR 11 Cb 0.22 2.28 0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1xtu h THR 11 CO -0.19 0.67 -0.84 -0.07 -0.25 0.00 0.00 175.52 174.84 1xtu h LEU 12 N 0.00 0.82 -0.14 3.87 3.38 -0.36 -0.38 115.31 122.49 1xtu h LEU 12 Ca -0.01 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.42 1xtu h LEU 12 Cb 1.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1xtu h LEU 12 CO 0.09 1.36 -0.07 -0.74 0.09 0.00 0.00 178.44 179.18 1xtu h HIS 13 N 0.44 -0.16 -0.58 1.13 2.76 0.04 0.28 115.15 119.05 1xtu h HIS 13 Ca -0.07 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.07 1xtu h HIS 13 Cb 1.47 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.50 1xtu h HIS 13 CO 0.08 -0.11 0.16 0.82 -1.30 0.00 0.00 177.93 177.59 1xtu h ILE 14 N -0.05 1.24 -0.79 6.26 2.04 -1.28 -2.38 117.51 122.55 1xtu h ILE 14 Ca 0.08 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1xtu h ILE 14 Cb 0.17 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1xtu h ILE 14 CO -0.18 0.32 0.52 0.25 0.00 0.00 0.00 178.15 179.07 1xtu h LEU 15 N 0.83 0.86 -0.38 1.44 5.85 -0.38 -1.12 115.31 122.42 1xtu h LEU 15 Ca 0.19 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1xtu h LEU 15 Cb 0.32 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1xtu h LEU 15 CO -0.00 0.60 0.23 0.74 -0.34 0.00 0.00 178.44 179.67 1xtu h THR 16 N 1.00 1.06 -1.00 1.05 2.02 0.03 0.10 112.91 117.17 1xtu h THR 16 Ca 0.31 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.34 1xtu h THR 16 Cb 0.00 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 1xtu h THR 16 CO -0.09 0.09 0.66 1.56 0.37 0.00 0.00 175.52 178.12 1xtu h GLN 17 N 0.47 1.31 -0.55 6.66 1.08 -0.96 -0.28 115.11 122.85 1xtu h GLN 17 Ca 0.15 -0.08 -0.09 0.00 -1.45 0.00 0.00 58.65 57.17 1xtu h GLN 17 Cb -0.02 -0.30 -0.02 0.00 -0.05 0.00 0.00 27.48 27.10 1xtu h GLN 17 CO -0.05 0.87 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.61 1xtu h LEU 18 N 1.35 0.97 -0.50 1.46 3.38 -0.46 -3.11 115.31 118.41 1xtu h LEU 18 Ca 0.37 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1xtu h LEU 18 Cb -0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.32 1xtu h LEU 18 CO -0.08 1.05 0.04 0.03 0.09 0.00 0.00 178.44 179.56 1xtu h ARG 19 N 0.87 0.85 -5.66 1.13 3.08 -0.22 -3.44 114.38 111.00 1xtu h ARG 19 Ca 0.15 -0.25 -0.59 0.00 0.07 0.00 0.00 59.98 59.36 1xtu h ARG 19 Cb 0.56 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1xtu h ARG 19 CO 0.03 0.87 1.55 -3.47 -1.07 0.00 0.00 179.97 177.88 1xtu n ASP 20 N -4.37 1.61 0.15 7.04 -0.08 -0.17 -4.77 116.55 115.97 1xtu n ASP 20 Ca 0.01 0.17 0.07 0.00 -1.51 0.00 0.00 54.79 53.52 1xtu n ASP 20 Cb 0.29 -1.22 0.35 0.00 2.34 0.00 0.00 41.12 42.88 1xtu n ASP 20 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1xtu n LYS 21 N 8.40 0.09 -0.54 -0.67 2.85 -1.26 -1.21 118.16 125.82 1xtu n LYS 21 Ca 0.48 0.56 0.05 0.00 -1.05 0.00 0.00 58.31 58.34 1xtu n LYS 21 Cb 0.23 -2.06 0.26 0.00 -0.65 0.00 0.00 35.03 32.81 1xtu n LYS 21 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1xtu n TYR 22 N -2.02 1.26 -3.52 5.58 4.02 -1.26 -4.86 117.16 116.36 1xtu n TYR 22 Ca -0.01 -0.45 -0.39 0.00 -0.01 0.00 0.00 57.90 57.04 1xtu n TYR 22 Cb 0.29 -0.31 -0.10 0.00 -0.02 0.00 0.00 39.34 39.20 1xtu n TYR 22 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1xtu s THR 23 N -2.02 5.26 0.92 -0.72 2.01 -0.35 -5.07 115.64 115.67 1xtu s THR 23 Ca 0.36 0.21 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 1xtu s THR 23 Cb 0.26 -3.62 0.14 0.00 0.01 0.00 0.00 72.50 69.29 1xtu s THR 23 CO 0.13 0.17 1.11 1.51 -0.69 0.00 0.00 174.62 176.85 1xtu s ASP 24 N 1.72 3.04 0.33 3.53 3.84 -1.26 -4.69 116.67 123.18 1xtu s ASP 24 Ca 0.09 1.95 0.04 0.00 -0.00 0.00 0.00 52.55 54.63 1xtu s ASP 24 Cb -0.16 -2.48 0.64 0.00 -1.38 0.00 0.00 42.92 39.54 1xtu s ASP 24 CO 0.11 -2.99 1.91 0.06 -0.00 0.00 0.00 175.17 174.26 1xtu h GLN 25 N -1.79 0.86 0.37 2.11 3.07 -1.83 0.55 115.11 118.46 1xtu h GLN 25 Ca -0.46 -0.05 -0.02 0.00 0.09 0.00 0.00 58.65 58.21 1xtu h GLN 25 Cb 1.27 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.64 1xtu h GLN 25 CO 0.46 0.57 -0.18 0.82 0.09 0.00 0.00 178.83 180.59 1xtu h ILE 26 N 0.89 0.63 0.00 1.86 2.04 -1.86 -0.16 117.51 120.92 1xtu h ILE 26 Ca 0.39 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.20 1xtu h ILE 26 Cb 0.34 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1xtu h ILE 26 CO -0.15 0.00 -0.22 0.78 0.00 0.00 0.00 178.15 178.55 1xtu h ASN 27 N -0.50 0.00 0.27 1.72 2.35 -1.85 -1.16 115.58 116.41 1xtu h ASN 27 Ca -0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1xtu h ASN 27 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1xtu h ASN 27 CO 0.08 0.22 -0.13 0.15 -1.65 0.00 0.00 177.43 176.11 1xtu h PHE 28 N 0.00 -0.34 -0.16 1.19 3.57 -0.45 -1.62 116.94 119.14 1xtu h PHE 28 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1xtu h PHE 28 Cb 0.71 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1xtu h PHE 28 CO 0.00 -0.07 0.08 0.00 -2.23 0.00 0.00 178.31 176.09 1xtu h ARG 29 N -0.57 0.17 -0.81 1.11 3.08 -0.78 -1.64 114.38 114.94 1xtu h ARG 29 Ca -0.04 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.12 1xtu h ARG 29 Cb 0.42 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 1xtu h ARG 29 CO 0.06 0.11 0.42 0.87 -1.07 0.00 0.00 179.97 180.37 1xtu h LYS 30 N 0.18 0.64 -0.46 0.04 1.57 -1.20 -0.34 116.57 116.99 1xtu h LYS 30 Ca 0.06 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1xtu h LYS 30 Cb 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1xtu h LYS 30 CO -0.04 0.42 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.31 1xtu h ASN 31 N 0.66 0.77 -0.63 0.86 2.35 -0.88 -1.17 115.58 117.55 1xtu h ASN 31 Ca 0.42 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 1xtu h ASN 31 Cb 0.51 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1xtu h ASN 31 CO -0.31 0.87 0.21 0.25 -1.65 0.00 0.00 177.43 176.79 1xtu h LEU 32 N 0.73 0.93 -0.16 1.61 5.85 -0.17 0.24 115.31 124.35 1xtu h LEU 32 Ca 0.14 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1xtu h LEU 32 Cb 0.51 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1xtu h LEU 32 CO 0.03 0.87 -0.10 0.58 -0.34 0.00 0.00 178.44 179.48 1xtu h VAL 33 N 0.97 1.32 -0.69 1.05 2.07 -0.78 -1.41 116.25 118.78 1xtu h VAL 33 Ca 0.21 -1.17 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1xtu h VAL 33 Cb 0.27 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 1xtu h VAL 33 CO -0.01 0.35 0.37 -0.09 0.02 0.00 0.00 177.57 178.21 1xtu h ARG 34 N -0.00 0.64 -0.22 1.57 2.43 -0.90 -1.46 114.38 116.44 1xtu h ARG 34 Ca 0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1xtu h ARG 34 Cb 0.59 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1xtu h ARG 34 CO 0.03 0.43 0.09 -0.07 -1.51 0.00 0.00 179.97 178.93 1xtu h LEU 35 N 0.66 0.31 -0.77 3.80 3.38 -0.87 -2.44 115.31 119.39 1xtu h LEU 35 Ca 0.32 -0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.30 1xtu h LEU 35 Cb 0.25 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.80 1xtu h LEU 35 CO -0.21 0.39 0.17 1.23 0.09 0.00 0.00 178.44 180.11 1xtu h GLY 36 N 0.21 1.08 0.95 0.83 0.00 -0.26 0.44 103.07 106.32 1xtu h GLY 36 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1xtu h GLY 36 CO -0.01 -0.25 0.16 -0.09 0.00 0.00 0.00 176.54 176.36 1xtu h ARG 37 N 0.24 0.61 0.24 4.80 2.43 -1.07 0.16 114.38 121.79 1xtu h ARG 37 Ca 0.45 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1xtu h ARG 37 Cb 0.80 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1xtu h ARG 37 CO -0.56 0.57 -0.12 0.82 -1.51 0.00 0.00 179.97 179.17 1xtu h ILE 38 N 0.51 0.80 -0.47 1.20 2.04 -0.47 -0.55 117.51 120.57 1xtu h ILE 38 Ca 0.14 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.85 1xtu h ILE 38 Cb 0.19 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1xtu h ILE 38 CO -0.01 0.05 0.32 -0.07 0.00 0.00 0.00 178.15 178.44 1xtu h LEU 39 N -0.44 0.22 0.15 1.44 3.38 -0.13 0.61 115.31 120.53 1xtu h LEU 39 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xtu h LEU 39 Cb 0.34 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xtu h LEU 39 CO 0.05 0.13 -0.07 1.23 0.09 0.00 0.00 178.44 179.88 1xtu h GLY 40 N 0.24 -0.21 0.06 0.83 0.00 -0.30 0.19 103.07 103.89 1xtu h GLY 40 Ca 0.22 0.08 0.11 0.00 0.00 0.00 0.00 47.33 47.73 1xtu h GLY 40 CO -0.04 -0.07 -0.04 -1.82 0.00 0.00 0.00 176.54 174.56 1xtu h TYR 41 N -0.34 -0.12 -0.36 5.60 3.20 0.59 0.13 116.97 125.68 1xtu h TYR 41 Ca -0.02 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1xtu h TYR 41 Cb 0.27 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1xtu h TYR 41 CO -0.02 -0.16 0.12 0.93 -1.64 0.00 0.00 178.16 177.39 1xtu h GLU 42 N 0.07 0.27 -0.74 1.82 4.39 -0.57 -1.81 114.58 118.00 1xtu h GLU 42 Ca 0.26 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1xtu h GLU 42 Cb 0.41 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1xtu h GLU 42 CO -0.48 0.18 0.43 0.82 -1.16 0.00 0.00 179.01 178.80 1xtu h ILE 43 N 0.28 1.22 -0.78 3.13 2.04 0.07 -2.72 117.51 120.74 1xtu h ILE 43 Ca 0.16 -0.52 0.19 0.00 1.00 0.00 0.00 64.86 65.69 1xtu h ILE 43 Cb 0.14 0.21 -0.13 0.00 -0.74 0.00 0.00 36.82 36.30 1xtu h ILE 43 CO -0.17 0.24 0.08 0.28 0.00 0.00 0.00 178.15 178.59 1xtu h SER 44 N 1.02 -0.21 0.40 1.72 0.02 0.10 0.40 113.55 117.00 1xtu h SER 44 Ca 0.26 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1xtu h SER 44 Cb 0.00 0.31 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1xtu h SER 44 CO -0.05 -0.15 0.00 0.59 -1.14 0.00 0.00 176.83 176.08 1xtu n ASN 45 N -5.29 0.00 0.00 3.07 3.02 -1.03 -1.50 115.26 113.54 1xtu n ASN 45 Ca 0.16 0.31 0.11 0.00 -0.03 0.00 0.00 54.58 55.12 1xtu n ASN 45 Cb 0.52 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 1xtu n ASN 45 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1xtu n THR 46 N -1.40 0.03 -1.54 3.41 -2.24 0.14 -4.97 114.28 107.69 1xtu n THR 46 Ca 0.05 -0.17 -0.36 0.00 -2.27 0.00 0.00 64.05 61.30 1xtu n THR 46 Cb 0.14 0.59 0.09 0.00 -2.10 0.00 0.00 70.33 69.05 1xtu n THR 46 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xtu n LEU 47 N -1.77 5.39 -4.74 3.22 4.77 -0.56 -4.94 117.00 118.36 1xtu n LEU 47 Ca 0.02 0.76 -0.41 0.00 -0.03 0.00 0.00 56.01 56.34 1xtu n LEU 47 Cb 0.41 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 1xtu n LEU 47 CO 0.43 -1.28 0.88 -0.62 -1.33 0.00 0.00 177.39 175.47 1xtu s ASP 48 N -1.58 7.09 0.20 -1.43 -1.08 -1.26 -5.03 116.67 113.59 1xtu s ASP 48 Ca 0.80 2.26 -0.03 0.00 -0.52 0.00 0.00 52.55 55.06 1xtu s ASP 48 Cb -0.36 -2.61 -0.04 0.00 -1.46 0.00 0.00 42.92 38.46 1xtu s ASP 48 CO 0.44 -0.35 0.17 -0.72 0.52 0.00 0.00 175.17 175.23 1xtu s TYR 49 N -0.23 1.04 0.13 -5.34 -0.85 -1.26 -4.26 117.35 106.57 1xtu s TYR 49 Ca 0.52 -1.29 0.09 0.00 -0.52 0.00 0.00 57.07 55.87 1xtu s TYR 49 Cb -0.33 -0.46 -0.04 0.00 0.38 0.00 0.00 41.96 41.52 1xtu s TYR 49 CO 0.38 -0.68 -0.22 -1.21 -1.52 0.00 0.00 175.55 172.30 1xtu s GLU 50 N -4.14 1.23 0.05 -3.49 2.02 -0.97 -5.00 118.70 108.41 1xtu s GLU 50 Ca 0.36 -1.27 -0.20 0.00 0.02 0.00 0.00 54.97 53.88 1xtu s GLU 50 Cb 0.06 -1.50 -0.06 0.00 0.10 0.00 0.00 34.13 32.73 1xtu s GLU 50 CO 0.11 0.34 0.59 0.42 0.02 0.00 0.00 175.26 176.74 1xtu s ILE 51 N -1.37 4.77 0.29 -1.63 1.01 -1.26 -1.87 121.20 121.15 1xtu s ILE 51 Ca 0.11 1.25 0.05 0.00 0.00 0.00 0.00 60.65 62.05 1xtu s ILE 51 Cb -0.09 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 1xtu s ILE 51 CO 0.05 0.51 0.18 1.33 0.00 0.00 0.00 174.94 177.02 1xtu n VAL 52 N 2.00 0.00 -4.23 2.92 0.24 0.44 -4.95 118.33 114.75 1xtu n VAL 52 Ca -0.09 -1.93 -0.21 0.00 -2.04 0.00 0.00 64.34 60.07 1xtu n VAL 52 Cb 0.51 0.86 -0.12 0.00 -1.47 0.00 0.00 33.84 33.61 1xtu n VAL 52 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1xtu s GLU 53 N -3.15 0.95 0.01 7.34 2.12 -1.26 -0.09 118.70 124.62 1xtu s GLU 53 Ca 0.26 -1.03 -0.08 0.00 0.36 0.00 0.00 54.97 54.47 1xtu s GLU 53 Cb 0.01 -1.06 0.00 0.00 0.26 0.00 0.00 34.13 33.34 1xtu s GLU 53 CO 0.18 0.24 0.15 0.54 -0.54 0.00 0.00 175.26 175.84 1xtu s VAL 54 N -1.21 0.09 -0.17 3.70 0.11 0.13 -4.85 120.40 118.20 1xtu s VAL 54 Ca 0.02 -0.77 -0.07 0.00 -2.93 0.00 0.00 61.98 58.23 1xtu s VAL 54 Cb -0.10 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1xtu s VAL 54 CO 0.03 -0.42 0.06 -0.70 -3.33 0.00 0.00 175.10 170.73 1xtu s GLU 55 N -1.77 3.83 0.42 1.54 2.12 -1.26 -0.45 118.70 123.14 1xtu s GLU 55 Ca -0.12 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 54.89 1xtu s GLU 55 Cb -0.05 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 1xtu s GLU 55 CO -0.00 0.35 0.62 0.95 -0.54 0.00 0.00 175.26 176.65 1xtu s THR 56 N 0.14 4.11 0.66 -1.70 -4.23 0.13 -4.95 115.64 109.80 1xtu s THR 56 Ca 0.05 -0.58 0.30 0.00 -1.18 0.00 0.00 61.69 60.27 1xtu s THR 56 Cb -0.12 -3.50 0.30 0.00 1.34 0.00 0.00 72.50 70.52 1xtu s THR 56 CO 0.01 -0.32 1.92 -0.65 -0.54 0.00 0.00 174.62 175.04 1xtu h PRO 57 N 0.52 0.00 -0.35 3.99 0.11 -1.99 0.22 132.00 134.50 1xtu h PRO 57 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xtu h PRO 57 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xtu h PRO 57 CO 0.57 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.64 1xtu n LEU 58 N -2.93 0.67 -1.49 2.35 4.77 -1.26 -4.85 117.00 114.25 1xtu n LEU 58 Ca -0.02 -0.34 -0.16 0.00 -0.03 0.00 0.00 56.01 55.47 1xtu n LEU 58 Cb 0.39 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1xtu n LEU 58 CO 0.14 0.15 -0.18 0.61 -1.33 0.00 0.00 177.39 176.78 1xtu n GLY 59 N 0.42 0.76 3.47 -0.72 0.00 0.77 -5.00 105.19 104.89 1xtu n GLY 59 Ca 0.02 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1xtu n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xtu s VAL 60 N -2.68 2.60 -0.01 1.61 -7.23 -1.24 -4.93 120.40 108.51 1xtu s VAL 60 Ca 0.00 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1xtu s VAL 60 Cb 0.00 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1xtu s VAL 60 CO 0.00 -0.14 0.01 -0.54 -0.31 0.00 0.00 175.10 174.12 1xtu s LYS 61 N -2.79 2.83 0.04 4.82 1.02 -1.26 -0.69 119.74 123.71 1xtu s LYS 61 Ca 0.23 -0.58 -0.08 0.00 0.02 0.00 0.00 55.97 55.56 1xtu s LYS 61 Cb -0.08 -2.70 -0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1xtu s LYS 61 CO 0.12 0.64 0.17 -0.08 -0.92 0.00 0.00 175.35 175.27 1xtu s THR 62 N -1.07 0.12 0.42 2.17 -1.32 0.40 -4.95 115.64 111.42 1xtu s THR 62 Ca 0.19 -0.98 -0.15 0.00 -1.21 0.00 0.00 61.69 59.54 1xtu s THR 62 Cb -0.12 -0.95 -0.08 0.00 -1.51 0.00 0.00 72.50 69.84 1xtu s THR 62 CO 0.10 -0.54 0.86 -0.54 -2.21 0.00 0.00 174.62 172.28 1xtu s LYS 63 N -2.71 3.96 0.23 7.08 1.02 -1.26 0.21 119.74 128.26 1xtu s LYS 63 Ca -0.04 0.77 -0.02 0.00 0.02 0.00 0.00 55.97 56.71 1xtu s LYS 63 Cb -0.00 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1xtu s LYS 63 CO -0.05 -0.06 0.33 0.41 -0.92 0.00 0.00 175.35 175.06 1xtu n GLY 64 N -1.06 2.39 3.49 -3.33 0.00 0.87 -4.84 105.19 102.70 1xtu n GLY 64 Ca 0.05 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 1xtu n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xtu s VAL 65 N -2.66 2.77 -0.23 1.61 1.01 -1.26 -0.42 120.40 121.21 1xtu s VAL 65 Ca 0.18 -1.70 -0.03 0.00 0.00 0.00 0.00 61.98 60.43 1xtu s VAL 65 Cb -0.01 -2.31 0.11 0.00 0.00 0.00 0.00 36.38 34.17 1xtu s VAL 65 CO 0.13 -0.01 0.24 -0.62 0.00 0.00 0.00 175.10 174.84 1xtu s ASP 66 N -2.45 1.51 -1.24 3.32 3.68 -0.78 -4.88 116.67 115.83 1xtu s ASP 66 Ca 0.20 -0.39 -0.15 0.00 2.13 0.00 0.00 52.55 54.34 1xtu s ASP 66 Cb -0.09 0.41 0.14 0.00 -1.45 0.00 0.00 42.92 41.93 1xtu s ASP 66 CO 0.11 -0.35 1.52 -0.38 0.13 0.00 0.00 175.17 176.21 1xtu n ILE 67 N 5.32 4.17 0.03 4.11 5.41 -1.26 -2.28 119.36 134.85 1xtu n ILE 67 Ca -0.05 -4.56 0.10 0.00 1.00 0.00 0.00 62.75 59.25 1xtu n ILE 67 Cb 0.48 -2.43 0.54 0.00 -0.71 0.00 0.00 39.64 37.52 1xtu n ILE 67 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1xtu h THR 68 N 4.88 0.94 0.00 1.39 1.35 -1.94 -0.87 112.91 118.67 1xtu h THR 68 Ca 0.35 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1xtu h THR 68 Cb 0.87 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1xtu h THR 68 CO 1.31 0.05 0.16 0.47 -0.25 0.00 0.00 175.52 177.26 1xtu n ASP 69 N -4.47 0.32 0.00 5.36 9.92 -1.26 -1.17 116.55 125.24 1xtu n ASP 69 Ca 0.05 0.57 0.03 0.00 -0.53 0.00 0.00 54.79 54.91 1xtu n ASP 69 Cb 0.27 -0.57 0.13 0.00 -0.64 0.00 0.00 41.12 40.31 1xtu n ASP 69 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1xtu n LEU 70 N -1.94 0.00 -0.33 0.64 4.77 -0.33 0.00 117.00 119.82 1xtu n LEU 70 Ca -0.01 0.38 0.09 0.00 -0.03 0.00 0.00 56.01 56.44 1xtu n LEU 70 Cb 0.18 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1xtu n LEU 70 CO 0.05 -0.31 0.21 0.59 -1.33 0.00 0.00 177.39 176.60 1xtu n ASN 71 N -1.38 1.58 -2.86 -1.43 3.02 -0.32 -4.54 115.26 109.34 1xtu n ASN 71 Ca 0.02 -1.29 -0.29 0.00 -0.03 0.00 0.00 54.58 52.99 1xtu n ASN 71 Cb 0.05 0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 39.79 1xtu n ASN 71 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xtu n ASN 72 N -0.37 5.00 -4.18 6.41 3.02 0.10 -4.96 115.26 120.27 1xtu n ASN 72 Ca 0.07 -3.71 -0.28 0.00 -0.03 0.00 0.00 54.58 50.63 1xtu n ASN 72 Cb 0.37 -0.61 -0.16 0.00 -0.61 0.00 0.00 39.78 38.76 1xtu n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xtu s ILE 73 N -4.83 1.69 -0.14 2.41 1.01 -1.25 0.26 121.20 120.34 1xtu s ILE 73 Ca 0.48 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 1xtu s ILE 73 Cb 0.32 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 41.37 1xtu s ILE 73 CO -0.17 0.48 -0.08 -0.69 0.00 0.00 0.00 174.94 174.48 1xtu s VAL 74 N 0.10 1.16 -0.20 2.92 1.01 -0.80 -1.17 120.40 123.42 1xtu s VAL 74 Ca -0.08 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1xtu s VAL 74 Cb -0.14 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1xtu s VAL 74 CO 0.04 0.30 0.13 -0.63 0.00 0.00 0.00 175.10 174.94 1xtu s ILE 75 N 1.64 5.41 -0.24 2.22 1.01 0.39 -0.87 121.20 130.76 1xtu s ILE 75 Ca 0.03 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 1xtu s ILE 75 Cb -0.14 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1xtu s ILE 75 CO -0.08 0.43 0.09 -0.63 0.00 0.00 0.00 174.94 174.75 1xtu s ILE 76 N 0.40 4.59 -0.37 2.92 1.01 0.19 -1.53 121.20 128.40 1xtu s ILE 76 Ca 0.08 -0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 1xtu s ILE 76 Cb -0.11 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1xtu s ILE 76 CO -0.02 0.35 0.49 0.21 0.00 0.00 0.00 174.94 175.98 1xtu s ASN 77 N 1.38 6.28 0.09 3.58 3.84 -0.12 -3.22 114.94 126.76 1xtu s ASN 77 Ca 0.06 -0.20 0.23 0.00 0.21 0.00 0.00 52.86 53.15 1xtu s ASN 77 Cb -0.15 -2.26 0.91 0.00 -0.55 0.00 0.00 41.25 39.21 1xtu s ASN 77 CO 0.04 -0.51 1.71 -0.38 -2.79 0.00 0.00 177.10 175.17 1xtu n ILE 78 N 5.45 0.59 -1.62 -5.21 5.41 -1.26 -1.67 119.36 121.04 1xtu n ILE 78 Ca -0.05 0.07 0.01 0.00 1.00 0.00 0.00 62.75 63.78 1xtu n ILE 78 Cb 0.49 -0.80 -0.00 0.00 -0.71 0.00 0.00 39.64 38.61 1xtu n ILE 78 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1xtu n LEU 79 N -1.78 0.00 0.00 1.39 4.77 -1.26 -3.62 117.00 116.50 1xtu n LEU 79 Ca 0.05 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1xtu n LEU 79 Cb 0.28 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1xtu n LEU 79 CO 0.22 -0.15 0.00 0.54 -1.33 0.00 0.00 177.39 176.67 1xtu n ARG 80 N -0.80 0.00 0.27 3.23 1.74 -1.26 -1.83 116.66 118.02 1xtu n ARG 80 Ca 0.00 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.26 1xtu n ARG 80 Cb 0.03 0.00 0.93 0.00 -1.02 0.00 0.00 32.46 32.39 1xtu n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xtu h ALA 81 N -0.84 1.50 0.00 7.54 0.00 -1.92 -1.99 119.26 123.55 1xtu h ALA 81 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xtu h ALA 81 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xtu h ALA 81 CO 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 179.25 178.74 1xtu h ALA 82 N 1.74 1.19 -0.61 0.00 0.00 -1.69 -3.32 119.26 116.56 1xtu h ALA 82 Ca 0.04 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1xtu h ALA 82 Cb 0.39 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 1xtu h ALA 82 CO -0.00 0.36 -0.48 0.28 0.00 0.00 0.00 179.25 179.41 1xtu h VAL 83 N 0.00 0.05 -0.65 0.00 2.07 -1.51 0.32 116.25 116.53 1xtu h VAL 83 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1xtu h VAL 83 Cb 0.66 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1xtu h VAL 83 CO 0.04 0.00 0.43 -0.65 0.02 0.00 0.00 177.57 177.41 1xtu h PRO 84 N -0.23 0.81 -0.26 1.57 0.11 -1.80 0.90 132.00 133.10 1xtu h PRO 84 Ca 0.16 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 1xtu h PRO 84 Cb 0.55 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1xtu h PRO 84 CO -0.71 0.54 -0.09 1.25 -0.21 0.00 0.00 178.00 178.78 1xtu h LEU 85 N 0.83 0.52 -0.93 2.35 5.85 -1.30 -2.41 115.31 120.23 1xtu h LEU 85 Ca 0.25 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1xtu h LEU 85 Cb -0.03 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1xtu h LEU 85 CO -0.06 0.78 0.39 0.58 -0.34 0.00 0.00 178.44 179.79 1xtu h VAL 86 N 0.25 1.25 -0.73 1.05 2.07 0.09 -1.39 116.25 118.85 1xtu h VAL 86 Ca 0.06 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 66.96 1xtu h VAL 86 Cb 0.57 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1xtu h VAL 86 CO 0.03 0.30 0.40 -0.08 0.02 0.00 0.00 177.57 178.24 1xtu h GLU 87 N 1.15 0.68 -0.35 1.57 4.57 -0.67 0.38 114.58 121.91 1xtu h GLU 87 Ca 0.28 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 1xtu h GLU 87 Cb 0.11 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1xtu h GLU 87 CO -0.04 0.45 0.10 0.78 -1.18 0.00 0.00 179.01 179.12 1xtu h GLY 88 N 0.70 0.58 0.97 1.92 0.00 -0.86 -2.01 103.07 104.36 1xtu h GLY 88 Ca 0.34 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1xtu h GLY 88 CO -0.23 0.33 0.29 1.41 0.00 0.00 0.00 176.54 178.34 1xtu h LEU 89 N 0.41 0.49 -0.98 3.11 3.38 -0.21 -2.30 115.31 119.21 1xtu h LEU 89 Ca 0.11 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1xtu h LEU 89 Cb 0.27 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1xtu h LEU 89 CO -0.00 0.35 0.63 -0.07 0.09 0.00 0.00 178.44 179.44 1xtu h LEU 90 N 0.59 1.04 -1.95 1.67 3.38 -0.11 0.14 115.31 120.07 1xtu h LEU 90 Ca 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1xtu h LEU 90 Cb -0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1xtu h LEU 90 CO -0.05 0.68 -0.10 0.11 0.09 0.00 0.00 178.44 179.17 1xtu h LYS 91 N 1.19 0.00 0.08 1.13 1.79 -0.83 -2.16 116.57 117.77 1xtu h LYS 91 Ca 0.41 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.60 1xtu h LYS 91 Cb 0.08 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1xtu h LYS 91 CO -0.15 0.10 -1.15 0.00 -1.08 0.00 0.00 179.45 177.17 1xtu h ALA 92 N 1.90 0.11 -2.64 3.86 0.00 -0.32 -3.38 119.26 118.79 1xtu h ALA 92 Ca -0.00 -0.76 -0.66 0.00 0.00 0.00 0.00 54.91 53.49 1xtu h ALA 92 Cb 0.22 0.06 -0.39 0.00 0.00 0.00 0.00 17.79 17.69 1xtu h ALA 92 CO 0.01 0.75 -0.31 1.19 0.00 0.00 0.00 179.25 180.89 1xtu n PHE 93 N -3.76 3.58 -0.35 0.00 3.01 -0.17 -4.93 117.46 114.84 1xtu n PHE 93 Ca -0.11 -4.06 0.26 0.00 1.01 0.00 0.00 57.45 54.55 1xtu n PHE 93 Cb 0.94 -0.81 0.51 0.00 -0.01 0.00 0.00 39.48 40.11 1xtu n PHE 93 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1xtu h PRO 94 N 5.19 0.29 -0.70 -1.08 0.11 -1.72 0.43 132.00 134.51 1xtu h PRO 94 Ca 0.17 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1xtu h PRO 94 Cb 0.73 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1xtu h PRO 94 CO 0.85 0.19 0.03 1.63 -0.21 0.00 0.00 178.00 180.49 1xtu n LYS 95 N -4.91 3.87 -3.12 1.05 5.02 -1.26 -4.96 118.16 113.86 1xtu n LYS 95 Ca 0.32 -2.39 -0.37 0.00 -2.02 0.00 0.00 58.31 53.85 1xtu n LYS 95 Cb 1.05 -2.08 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 1xtu n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xtu s ALA 96 N -2.35 3.45 0.42 7.82 0.00 0.14 -4.72 121.76 126.51 1xtu s ALA 96 Ca 0.42 0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 1xtu s ALA 96 Cb 0.32 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1xtu s ALA 96 CO 0.12 0.34 0.67 1.03 0.00 0.00 0.00 175.76 177.92 1xtu s ARG 97 N -1.74 3.52 -0.01 0.00 0.52 -0.32 -4.91 118.95 116.00 1xtu s ARG 97 Ca 0.40 -0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.58 1xtu s ARG 97 Cb -0.18 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.78 1xtu s ARG 97 CO 0.22 -0.03 -0.05 -1.14 0.02 0.00 0.00 175.30 174.31 1xtu s GLN 98 N -4.52 0.50 0.26 3.54 0.74 -1.26 -0.46 119.66 118.47 1xtu s GLN 98 Ca 0.44 -0.16 0.06 0.00 0.05 0.00 0.00 55.36 55.75 1xtu s GLN 98 Cb -0.10 -0.51 -0.06 0.00 1.10 0.00 0.00 33.01 33.45 1xtu s GLN 98 CO 0.40 0.06 -0.04 0.20 -0.55 0.00 0.00 175.29 175.37 1xtu s GLY 99 N 0.15 1.74 -0.02 2.59 0.00 -0.59 -4.57 107.32 106.63 1xtu s GLY 99 Ca -0.01 -1.86 0.02 0.00 0.00 0.00 0.00 44.72 42.87 1xtu s GLY 99 CO -0.00 -1.78 -0.07 -1.34 0.00 0.00 0.00 173.10 169.90 1xtu s VAL 100 N -3.15 0.62 -0.45 1.40 -7.23 0.38 -0.94 120.40 111.03 1xtu s VAL 100 Ca 0.29 -0.28 0.02 0.00 -1.81 0.00 0.00 61.98 60.20 1xtu s VAL 100 Cb 0.04 -0.56 0.14 0.00 0.56 0.00 0.00 36.38 36.56 1xtu s VAL 100 CO 0.11 0.20 0.25 -0.63 -0.31 0.00 0.00 175.10 174.72 1xtu s ILE 101 N 0.18 1.44 -0.45 -0.62 1.01 -0.67 -1.22 121.20 120.88 1xtu s ILE 101 Ca -0.02 -2.64 -0.27 0.00 0.00 0.00 0.00 60.65 57.71 1xtu s ILE 101 Cb -0.07 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1xtu s ILE 101 CO 0.00 -0.91 1.87 -0.83 0.00 0.00 0.00 174.94 175.07 1xtu s GLY 102 N 0.26 0.47 0.01 6.18 0.00 0.14 -4.32 107.32 110.05 1xtu s GLY 102 Ca 0.18 -0.09 0.07 0.00 0.00 0.00 0.00 44.72 44.89 1xtu s GLY 102 CO -0.01 3.40 -0.23 0.00 0.00 0.00 0.00 173.10 176.26 1xtu s ALA 103 N 8.14 1.92 -0.08 3.20 0.00 -1.24 0.18 121.76 133.89 1xtu s ALA 103 Ca 0.77 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 1xtu s ALA 103 Cb -0.18 -0.45 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1xtu s ALA 103 CO 0.28 0.46 0.12 -1.12 0.00 0.00 0.00 175.76 175.50 1xtu s SER 104 N -0.80 1.04 0.65 0.00 0.01 -0.63 -4.94 113.70 109.03 1xtu s SER 104 Ca 0.09 0.15 -0.13 0.00 1.31 0.00 0.00 55.95 57.36 1xtu s SER 104 Cb -0.09 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 1xtu s SER 104 CO 0.00 -0.26 1.06 0.00 0.41 0.00 0.00 173.24 174.46 1xtu s ARG 105 N 2.23 3.04 -0.30 12.44 1.70 -1.26 -2.59 118.95 134.21 1xtu s ARG 105 Ca 0.04 1.11 -0.21 0.00 -0.47 0.00 0.00 55.73 56.21 1xtu s ARG 105 Cb -0.12 -2.00 -0.01 0.00 -0.57 0.00 0.00 34.95 32.25 1xtu s ARG 105 CO -0.05 -1.03 0.65 0.08 -1.08 0.00 0.00 175.30 173.87 1xtu s VAL 106 N -2.72 4.92 -0.08 4.99 1.01 0.48 -4.93 120.40 124.07 1xtu s VAL 106 Ca 0.61 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 1xtu s VAL 106 Cb -0.16 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1xtu s VAL 106 CO 0.46 -0.14 1.48 -1.61 0.00 0.00 0.00 175.10 175.30 1xtu s GLU 107 N 2.64 4.21 0.02 2.72 0.41 -1.26 -4.57 118.70 122.87 1xtu s GLU 107 Ca 0.26 1.98 -0.01 0.00 -0.41 0.00 0.00 54.97 56.79 1xtu s GLU 107 Cb -0.15 -3.84 -0.02 0.00 -1.78 0.00 0.00 34.13 28.34 1xtu s GLU 107 CO 0.12 -0.76 -0.02 0.14 -0.49 0.00 0.00 175.26 174.25 1xtu s VAL 108 N 3.59 0.11 -0.41 2.63 -7.23 -1.26 -5.13 120.40 112.70 1xtu s VAL 108 Ca 0.66 -0.94 -0.10 0.00 -1.81 0.00 0.00 61.98 59.79 1xtu s VAL 108 Cb -0.29 -0.33 0.07 0.00 0.56 0.00 0.00 36.38 36.38 1xtu s VAL 108 CO 0.24 -0.51 0.25 -0.62 -0.31 0.00 0.00 175.10 174.15 1xtu s ASP 109 N -1.53 5.67 0.47 4.85 -1.08 -1.26 -4.48 116.67 119.32 1xtu s ASP 109 Ca -0.15 -1.37 0.08 0.00 -0.52 0.00 0.00 52.55 50.59 1xtu s ASP 109 Cb -0.09 -2.00 0.03 0.00 -1.46 0.00 0.00 42.92 39.40 1xtu s ASP 109 CO -0.01 -0.50 0.58 -0.83 0.52 0.00 0.00 175.17 174.92 1xtu s GLY 110 N 2.00 1.96 0.03 2.66 0.00 -0.97 -5.01 107.32 107.99 1xtu s GLY 110 Ca 0.03 -1.81 -0.22 0.00 0.00 0.00 0.00 44.72 42.72 1xtu s GLY 110 CO 0.03 -1.62 1.33 0.50 0.00 0.00 0.00 173.10 173.35 1xtu h LYS 111 N 0.60 0.28 0.00 2.90 1.57 -1.99 -3.44 116.57 116.50 1xtu h LYS 111 Ca -0.37 -0.15 -0.39 0.00 -1.87 0.00 0.00 60.65 57.87 1xtu h LYS 111 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1xtu h LYS 111 CO 0.47 0.68 -0.12 0.39 -0.57 0.00 0.00 179.45 180.31 1xtu n GLU 112 N -4.62 0.79 -2.41 3.15 1.02 -1.26 -4.89 120.64 112.41 1xtu n GLU 112 Ca -0.07 -2.43 -0.43 0.00 -0.02 0.00 0.00 57.16 54.21 1xtu n GLU 112 Cb 0.34 0.02 -0.02 0.00 -0.02 0.00 0.00 31.44 31.76 1xtu n GLU 112 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xtu s VAL 113 N -1.84 4.20 0.72 2.62 1.01 -1.26 -4.39 120.40 121.47 1xtu s VAL 113 Ca 0.35 1.50 -0.16 0.00 0.00 0.00 0.00 61.98 63.68 1xtu s VAL 113 Cb -0.03 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1xtu s VAL 113 CO 0.23 -0.06 1.14 -2.65 0.00 0.00 0.00 175.10 173.75 1xtu n PRO 114 N 5.84 0.60 -0.00 2.72 -0.02 -1.26 -4.94 135.00 137.94 1xtu n PRO 114 Ca 0.12 0.27 0.01 0.00 -2.02 0.00 0.00 63.50 61.89 1xtu n PRO 114 Cb 0.45 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1xtu n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xtu n LYS 115 N -2.28 2.37 -3.57 -0.52 5.02 -1.26 -4.94 118.16 112.97 1xtu n LYS 115 Ca 0.14 -0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 1xtu n LYS 115 Cb 0.49 -0.90 -0.06 0.00 -0.02 0.00 0.00 35.03 34.54 1xtu n LYS 115 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1xtu s ASP 116 N -1.93 -0.54 0.37 4.39 -4.77 -1.26 -4.90 116.67 108.04 1xtu s ASP 116 Ca -0.00 0.72 0.09 0.00 -3.30 0.00 0.00 52.55 50.05 1xtu s ASP 116 Cb 0.02 0.62 -0.07 0.00 -1.09 0.00 0.00 42.92 42.40 1xtu s ASP 116 CO 0.12 -0.40 -0.05 -0.04 0.70 0.00 0.00 175.17 175.49 1xtu s MET 117 N -0.76 1.88 -0.25 2.11 -1.94 -1.26 -5.09 119.30 113.99 1xtu s MET 117 Ca -0.04 -2.01 -0.09 0.00 -1.71 0.00 0.00 55.69 51.84 1xtu s MET 117 Cb -0.02 -1.68 -0.04 0.00 2.01 0.00 0.00 34.83 35.11 1xtu s MET 117 CO 0.04 0.06 0.11 -0.51 -0.01 0.00 0.00 175.02 174.71 1xtu s ASP 118 N -3.65 5.58 -0.06 3.03 1.01 -1.26 -4.89 116.67 116.43 1xtu s ASP 118 Ca 0.34 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.53 1xtu s ASP 118 Cb 0.05 -2.01 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 1xtu s ASP 118 CO 0.17 0.00 -0.03 -0.69 0.21 0.00 0.00 175.17 174.83 1xtu s VAL 119 N 1.41 3.98 0.04 -1.27 1.01 -1.26 -0.39 120.40 123.92 1xtu s VAL 119 Ca 0.06 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1xtu s VAL 119 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1xtu s VAL 119 CO 0.06 0.55 -0.13 -0.31 0.00 0.00 0.00 175.10 175.26 1xtu s TYR 120 N -0.89 1.17 -0.43 5.22 1.51 -1.07 -4.92 117.35 117.93 1xtu s TYR 120 Ca 0.14 -0.37 -0.20 0.00 -1.01 0.00 0.00 57.07 55.64 1xtu s TYR 120 Cb -0.11 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1xtu s TYR 120 CO 0.04 0.03 0.59 0.42 -1.11 0.00 0.00 175.55 175.52 1xtu s ILE 121 N -0.91 4.89 -0.05 2.71 -1.09 -1.26 -1.60 121.20 123.90 1xtu s ILE 121 Ca 0.00 -0.01 0.13 0.00 -2.23 0.00 0.00 60.65 58.54 1xtu s ILE 121 Cb -0.08 -4.17 -0.19 0.00 -1.58 0.00 0.00 42.46 36.45 1xtu s ILE 121 CO 0.01 -0.56 0.84 0.10 -1.23 0.00 0.00 174.94 174.11 1xtu h TYR 122 N 8.84 0.00 -3.19 3.97 -0.00 -0.65 -3.47 116.97 122.47 1xtu h TYR 122 Ca -0.26 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.28 1xtu h TYR 122 Cb 1.10 0.00 -0.28 0.00 0.00 0.00 0.00 36.73 37.54 1xtu h TYR 122 CO 0.70 0.86 -0.51 -0.47 -0.00 0.00 0.00 178.16 178.74 1xtu s TYR 123 N -2.72 -0.24 -0.04 0.10 5.04 -1.18 -4.99 117.35 113.33 1xtu s TYR 123 Ca -0.03 0.59 -0.01 0.00 -2.44 0.00 0.00 57.07 55.18 1xtu s TYR 123 Cb 0.08 0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.45 1xtu s TYR 123 CO 0.82 -0.16 0.02 0.21 -1.34 0.00 0.00 175.55 175.10 1xtu s LYS 124 N 0.69 0.16 -0.29 4.97 2.20 -1.26 0.23 119.74 126.45 1xtu s LYS 124 Ca -0.05 0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 1xtu s LYS 124 Cb -0.06 -0.50 0.18 0.00 -1.51 0.00 0.00 37.83 35.94 1xtu s LYS 124 CO -0.04 -0.22 0.53 0.21 -0.36 0.00 0.00 175.35 175.48 1xtu s LYS 125 N 1.47 0.51 0.13 4.03 2.47 -0.35 -5.01 119.74 122.99 1xtu s LYS 125 Ca -0.04 0.55 0.08 0.00 -1.56 0.00 0.00 55.97 55.01 1xtu s LYS 125 Cb -0.13 0.13 -0.04 0.00 -1.46 0.00 0.00 37.83 36.33 1xtu s LYS 125 CO -0.03 -0.92 -0.20 0.96 0.16 0.00 0.00 175.35 175.33 1xtu s ILE 126 N 2.75 1.76 0.00 5.43 -4.36 -1.26 -0.47 121.20 125.04 1xtu s ILE 126 Ca 0.12 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 1xtu s ILE 126 Cb -0.12 -1.69 0.00 0.00 1.25 0.00 0.00 42.46 41.90 1xtu s ILE 126 CO -0.25 -0.18 0.00 -2.65 0.24 0.00 0.00 174.94 172.10 1xtu n PRO 127 N 0.72 -0.38 -3.01 0.37 -0.02 -1.26 -4.94 135.00 126.48 1xtu n PRO 127 Ca -0.17 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.88 1xtu n PRO 127 Cb 0.55 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.97 1xtu n PRO 127 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xtu s ASP 128 N -1.39 6.35 -0.69 2.55 -1.08 -1.26 -4.99 116.67 116.16 1xtu s ASP 128 Ca 0.00 -0.31 -0.25 0.00 -0.52 0.00 0.00 52.55 51.48 1xtu s ASP 128 Cb 0.00 -2.36 0.05 0.00 -1.46 0.00 0.00 42.92 39.15 1xtu s ASP 128 CO 0.00 -0.92 1.11 -0.63 0.52 0.00 0.00 175.17 175.25 1xtu s ILE 129 N 3.17 4.05 -0.48 4.11 1.01 -1.26 -4.96 121.20 126.84 1xtu s ILE 129 Ca 0.26 -0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.63 1xtu s ILE 129 Cb -0.14 -4.79 -0.02 0.00 0.01 0.00 0.00 42.46 37.52 1xtu s ILE 129 CO 0.20 -1.64 1.83 -0.13 0.00 0.00 0.00 174.94 175.20 1xtu s ARG 130 N 4.82 2.95 0.43 2.79 0.52 -1.26 -4.89 118.95 124.31 1xtu s ARG 130 Ca 0.28 1.00 -0.22 0.00 -0.52 0.00 0.00 55.73 56.27 1xtu s ARG 130 Cb -0.13 -4.30 -0.12 0.00 0.52 0.00 0.00 34.95 30.92 1xtu s ARG 130 CO 0.12 -2.33 0.59 0.00 0.02 0.00 0.00 175.30 173.71 1xtu n ALA 131 N 11.66 -1.30 -0.32 2.13 0.00 -1.25 -0.87 120.51 130.56 1xtu n ALA 131 Ca 0.22 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1xtu n ALA 131 Cb 0.50 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1xtu n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xtu n LYS 132 N 0.49 0.00 -0.01 0.00 5.02 -0.27 -4.59 118.16 118.80 1xtu n LYS 132 Ca 0.11 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.39 1xtu n LYS 132 Cb 0.40 -4.29 -0.01 0.00 -0.02 0.00 0.00 35.03 31.11 1xtu n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xtu n VAL 133 N -1.98 0.10 -2.95 -0.18 0.31 -0.16 -4.45 118.33 109.03 1xtu n VAL 133 Ca 0.00 -0.04 -0.40 0.00 -0.01 0.00 0.00 64.34 63.90 1xtu n VAL 133 Cb 0.00 -0.89 -0.06 0.00 -0.91 0.00 0.00 33.84 31.98 1xtu n VAL 133 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1xtu s ASP 134 N -4.51 7.40 -0.46 4.52 1.01 -0.05 -4.62 116.67 119.97 1xtu s ASP 134 Ca -0.03 1.66 -0.17 0.00 0.71 0.00 0.00 52.55 54.73 1xtu s ASP 134 Cb 0.01 -2.51 0.05 0.00 1.01 0.00 0.00 42.92 41.47 1xtu s ASP 134 CO 0.04 0.17 0.45 0.20 0.21 0.00 0.00 175.17 176.25 1xtu s ASN 135 N -0.98 6.18 -0.10 0.27 0.01 0.14 -0.08 114.94 120.38 1xtu s ASN 135 Ca 0.37 -0.97 -0.17 0.00 -0.71 0.00 0.00 52.86 51.38 1xtu s ASN 135 Cb -0.23 -2.22 -0.05 0.00 0.41 0.00 0.00 41.25 39.16 1xtu s ASN 135 CO 0.27 -0.66 0.46 -0.69 -1.51 0.00 0.00 177.10 174.96 1xtu s VAL 136 N 2.05 5.15 -0.23 1.60 1.01 -0.29 -1.90 120.40 127.79 1xtu s VAL 136 Ca 0.09 0.92 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1xtu s VAL 136 Cb -0.20 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.42 1xtu s VAL 136 CO 0.11 0.38 -0.12 -0.63 0.00 0.00 0.00 175.10 174.83 1xtu s ILE 137 N 0.29 2.39 -0.21 2.22 1.01 -0.05 0.63 121.20 127.48 1xtu s ILE 137 Ca 0.25 -1.17 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 1xtu s ILE 137 Cb -0.15 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1xtu s ILE 137 CO 0.11 0.25 0.08 -0.63 0.00 0.00 0.00 174.94 174.75 1xtu s ILE 138 N 1.25 4.78 -0.04 2.92 1.01 0.27 -0.64 121.20 130.75 1xtu s ILE 138 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.64 1xtu s ILE 138 Cb -0.16 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 1xtu s ILE 138 CO -0.08 0.40 -0.11 0.00 0.00 0.00 0.00 174.94 175.15 1xtu s ALA 139 N 0.84 2.80 -0.30 9.38 0.00 -1.20 -0.93 121.76 132.36 1xtu s ALA 139 Ca 0.04 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 1xtu s ALA 139 Cb -0.13 -1.04 0.16 0.00 0.00 0.00 0.00 23.12 22.10 1xtu s ALA 139 CO 0.02 0.57 0.68 0.34 0.00 0.00 0.00 175.76 177.38 1xtu s ASP 140 N -0.93 -1.15 0.27 0.00 2.15 -0.37 -4.23 116.67 112.42 1xtu s ASP 140 Ca 0.13 1.19 0.00 0.00 0.43 0.00 0.00 52.55 54.30 1xtu s ASP 140 Cb -0.11 2.15 0.62 0.00 -0.30 0.00 0.00 42.92 45.29 1xtu s ASP 140 CO 0.02 -0.22 1.69 -0.65 -0.17 0.00 0.00 175.17 175.85 1xtu h PRO 141 N 7.95 0.35 -5.68 4.34 0.11 -1.87 -3.34 132.00 133.86 1xtu h PRO 141 Ca -0.19 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.29 1xtu h PRO 141 Cb 1.13 -0.08 -0.31 0.00 0.11 0.00 0.00 31.00 31.85 1xtu h PRO 141 CO 0.15 0.23 -0.85 -1.64 -0.21 0.00 0.00 178.00 175.68 1xtu s MET 142 N -5.95 1.91 -0.30 1.05 -1.94 -1.26 -0.53 119.30 112.28 1xtu s MET 142 Ca -0.12 -0.71 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1xtu s MET 142 Cb 0.24 -1.70 0.09 0.00 2.01 0.00 0.00 34.83 35.46 1xtu s MET 142 CO 0.77 0.34 0.03 0.42 -0.01 0.00 0.00 175.02 176.57 1xtu s ILE 143 N -0.17 1.63 0.00 2.53 1.01 -0.92 -5.00 121.20 120.28 1xtu s ILE 143 Ca -0.00 -1.71 0.00 0.00 0.00 0.00 0.00 60.65 58.94 1xtu s ILE 143 Cb -0.11 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.26 1xtu s ILE 143 CO 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 174.94 174.50 1xtu n ALA 144 N 4.56 0.00 1.38 9.38 0.00 -1.26 -0.75 120.51 133.82 1xtu n ALA 144 Ca -0.03 -0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.44 1xtu n ALA 144 Cb 0.43 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.30 1xtu n ALA 144 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xtu n THR 145 N -1.88 0.00 -0.68 0.00 -2.24 -1.26 -3.29 114.28 104.94 1xtu n THR 145 Ca 0.00 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1xtu n THR 145 Cb 0.00 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1xtu n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xtu n ALA 146 N 0.34 0.00 -0.35 6.98 0.00 -1.26 -4.76 120.51 121.46 1xtu n ALA 146 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.64 1xtu n ALA 146 Cb 0.40 -0.81 0.19 0.00 0.00 0.00 0.00 19.45 19.23 1xtu n ALA 146 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xtu h SER 147 N 0.00 1.01 0.17 0.00 0.02 -1.90 0.11 113.55 112.96 1xtu h SER 147 Ca 0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1xtu h SER 147 Cb 0.11 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1xtu h SER 147 CO 0.00 0.65 -0.08 0.74 -1.14 0.00 0.00 176.83 176.99 1xtu h THR 148 N 1.14 0.94 -0.68 -2.27 2.02 -1.91 -1.93 112.91 110.23 1xtu h THR 148 Ca 0.42 -0.71 0.05 0.00 0.77 0.00 0.00 66.41 66.94 1xtu h THR 148 Cb 0.16 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 1xtu h THR 148 CO -0.16 0.16 0.39 0.24 0.37 0.00 0.00 175.52 176.52 1xtu h MET 149 N -0.59 0.70 -0.85 6.66 2.07 -1.87 -1.99 114.93 119.06 1xtu h MET 149 Ca -0.02 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.57 1xtu h MET 149 Cb 0.44 -0.16 -0.04 0.00 -1.87 0.00 0.00 31.60 29.97 1xtu h MET 149 CO 0.04 0.47 0.56 -0.07 1.07 0.00 0.00 176.91 178.98 1xtu h LEU 150 N 0.72 0.98 -0.75 1.22 3.38 -0.76 0.13 115.31 120.24 1xtu h LEU 150 Ca 0.30 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1xtu h LEU 150 Cb 0.16 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1xtu h LEU 150 CO -0.17 0.71 0.41 0.50 0.09 0.00 0.00 178.44 179.98 1xtu h LYS 151 N 1.16 1.04 0.09 1.13 1.63 -0.62 0.50 116.57 121.50 1xtu h LYS 151 Ca 0.31 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1xtu h LYS 151 Cb -0.13 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.30 1xtu h LYS 151 CO -0.07 0.77 -0.04 0.28 -3.45 0.00 0.00 179.45 176.95 1xtu h VAL 152 N 1.03 1.11 -0.65 2.00 2.07 -0.91 -3.00 116.25 117.90 1xtu h VAL 152 Ca 0.26 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 67.10 1xtu h VAL 152 Cb 0.03 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1xtu h VAL 152 CO -0.04 0.18 0.43 -0.07 0.02 0.00 0.00 177.57 178.09 1xtu h LEU 153 N -0.46 0.55 -1.01 2.57 3.38 -0.47 -1.60 115.31 118.26 1xtu h LEU 153 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1xtu h LEU 153 Cb 0.39 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1xtu h LEU 153 CO 0.02 0.35 0.78 -0.08 0.09 0.00 0.00 178.44 179.60 1xtu h GLU 154 N 0.62 0.00 0.00 1.13 4.81 0.16 -0.42 114.58 120.88 1xtu h GLU 154 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1xtu h GLU 154 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1xtu h GLU 154 CO -0.09 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 177.34 1xtu n GLU 155 N -2.89 -0.37 0.09 1.92 0.28 -0.63 -4.58 120.64 114.45 1xtu n GLU 155 Ca 0.04 -0.20 -0.14 0.00 -0.16 0.00 0.00 57.16 56.70 1xtu n GLU 155 Cb 0.87 -0.70 -0.14 0.00 1.43 0.00 0.00 31.44 32.90 1xtu n GLU 155 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1xtu h VAL 156 N 0.59 1.47 -0.53 3.84 2.07 -0.74 -3.22 116.25 119.73 1xtu h VAL 156 Ca 0.00 -3.08 -0.01 0.00 0.82 0.00 0.00 66.70 64.42 1xtu h VAL 156 Cb 0.30 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 1xtu h VAL 156 CO 0.00 0.89 0.27 0.58 0.02 0.00 0.00 177.57 179.32 1xtu h VAL 157 N 0.06 1.17 -0.75 2.57 2.07 -1.64 -2.45 116.25 117.29 1xtu h VAL 157 Ca -0.13 -0.46 0.17 0.00 0.82 0.00 0.00 66.70 67.09 1xtu h VAL 157 Cb 1.94 0.48 -0.12 0.00 -1.52 0.00 0.00 31.29 32.07 1xtu h VAL 157 CO 0.18 0.20 0.10 0.11 0.02 0.00 0.00 177.57 178.18 1xtu h LYS 158 N 0.74 0.18 0.00 1.57 1.57 -1.80 0.35 116.57 119.18 1xtu h LYS 158 Ca 0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1xtu h LYS 158 Cb 0.06 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1xtu h LYS 158 CO -0.03 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 1xtu n ALA 159 N -2.78 1.45 -3.59 3.86 0.00 -0.92 -4.91 120.51 113.62 1xtu n ALA 159 Ca 0.14 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 1xtu n ALA 159 Cb 0.48 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1xtu n ALA 159 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xtu n ASN 160 N -1.47 -5.73 -4.72 0.00 5.15 0.12 -3.80 115.26 104.81 1xtu n ASN 160 Ca 0.03 -0.77 -0.29 0.00 -0.60 0.00 0.00 54.58 52.95 1xtu n ASN 160 Cb 0.10 -3.13 0.15 0.00 -0.53 0.00 0.00 39.78 36.38 1xtu n ASN 160 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1xtu s PRO 161 N -4.90 0.79 0.11 1.20 0.02 -1.26 -1.11 135.00 129.85 1xtu s PRO 161 Ca 0.17 0.35 -0.18 0.00 0.02 0.00 0.00 61.00 61.37 1xtu s PRO 161 Cb -0.07 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 1xtu s PRO 161 CO 0.85 -2.45 1.65 -0.22 -0.33 0.00 0.00 177.00 176.50 1xtu h LYS 162 N -1.69 0.46 -3.95 5.54 3.64 -0.71 -3.37 116.57 116.50 1xtu h LYS 162 Ca -0.52 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 58.66 1xtu h LYS 162 Cb 1.33 -0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.94 1xtu h LYS 162 CO 0.60 0.48 -0.41 1.03 -2.27 0.00 0.00 179.45 178.88 1xtu s ARG 163 N -5.50 0.95 -0.14 1.90 0.52 -1.16 -4.94 118.95 110.58 1xtu s ARG 163 Ca -0.13 -1.12 -0.03 0.00 -0.52 0.00 0.00 55.73 53.93 1xtu s ARG 163 Cb 0.09 0.33 0.05 0.00 0.52 0.00 0.00 34.95 35.94 1xtu s ARG 163 CO 0.73 -0.31 0.04 0.42 0.02 0.00 0.00 175.30 176.20 1xtu s ILE 164 N -3.93 0.31 -0.09 1.52 1.01 -1.26 -1.14 121.20 117.63 1xtu s ILE 164 Ca 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 1xtu s ILE 164 Cb 0.05 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1xtu s ILE 164 CO -0.05 -0.05 0.07 -0.31 0.00 0.00 0.00 174.94 174.60 1xtu s TYR 165 N 1.97 3.36 -0.06 3.97 1.51 0.20 -1.37 117.35 126.94 1xtu s TYR 165 Ca 0.02 0.33 0.05 0.00 -1.01 0.00 0.00 57.07 56.46 1xtu s TYR 165 Cb -0.15 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1xtu s TYR 165 CO -0.07 0.59 -0.20 0.42 -1.11 0.00 0.00 175.55 175.18 1xtu s ILE 166 N -0.99 2.50 -0.08 2.71 1.01 0.02 -0.57 121.20 125.80 1xtu s ILE 166 Ca 0.16 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1xtu s ILE 166 Cb -0.12 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.42 1xtu s ILE 166 CO 0.05 0.57 -0.12 -0.69 0.00 0.00 0.00 174.94 174.75 1xtu s VAL 167 N -0.31 1.15 0.17 2.92 1.01 -0.11 -0.08 120.40 125.15 1xtu s VAL 167 Ca 0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1xtu s VAL 167 Cb -0.13 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1xtu s VAL 167 CO 0.02 0.37 0.27 -0.94 0.00 0.00 0.00 175.10 174.82 1xtu s SER 168 N 0.91 0.06 -0.15 3.32 1.04 -0.73 -1.24 113.70 116.90 1xtu s SER 168 Ca -0.10 -0.92 -0.20 0.00 0.48 0.00 0.00 55.95 55.22 1xtu s SER 168 Cb -0.15 0.43 -0.24 0.00 0.10 0.00 0.00 66.02 66.16 1xtu s SER 168 CO 0.01 -0.89 0.44 0.40 0.98 0.00 0.00 173.24 174.18 1xtu h ILE 169 N 2.56 1.09 -3.77 -1.02 1.08 -0.98 -3.17 117.51 113.30 1xtu h ILE 169 Ca -0.32 -2.30 -0.31 0.00 -0.39 0.00 0.00 64.86 61.54 1xtu h ILE 169 Cb 1.23 2.61 -0.30 0.00 -3.07 0.00 0.00 36.82 37.29 1xtu h ILE 169 CO 0.49 0.54 -0.75 -0.63 -0.69 0.00 0.00 178.15 177.11 1xtu s ILE 170 N -2.39 0.30 0.01 -0.67 1.01 -0.94 -1.84 121.20 116.68 1xtu s ILE 170 Ca -0.24 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.33 1xtu s ILE 170 Cb 0.04 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 1xtu s ILE 170 CO 0.68 0.11 -0.11 -0.44 0.00 0.00 0.00 174.94 175.18 1xtu s SER 171 N 0.17 1.28 0.46 3.58 0.01 -0.71 -2.16 113.70 116.33 1xtu s SER 171 Ca -0.01 -0.28 -0.20 0.00 1.31 0.00 0.00 55.95 56.77 1xtu s SER 171 Cb -0.04 -0.11 -0.10 0.00 0.21 0.00 0.00 66.02 65.97 1xtu s SER 171 CO -0.00 0.08 0.97 -0.94 0.41 0.00 0.00 173.24 173.75 1xtu s SER 172 N -0.57 6.78 0.34 2.44 1.04 0.08 -1.48 113.70 122.33 1xtu s SER 172 Ca 0.02 1.70 0.07 0.00 0.48 0.00 0.00 55.95 58.22 1xtu s SER 172 Cb -0.05 -2.54 0.74 0.00 0.10 0.00 0.00 66.02 64.27 1xtu s SER 172 CO 0.00 -0.47 1.87 -0.08 0.98 0.00 0.00 173.24 175.54 1xtu h GLU 173 N 1.63 0.75 0.09 4.02 4.81 -1.34 -0.68 114.58 123.88 1xtu h GLU 173 Ca -0.49 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1xtu h GLU 173 Cb 1.19 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1xtu h GLU 173 CO 0.61 0.50 -0.05 -0.92 -0.73 0.00 0.00 179.01 178.42 1xtu h TYR 174 N 0.78 -0.12 0.03 0.92 3.20 -1.84 -2.11 116.97 117.82 1xtu h TYR 174 Ca 0.44 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.31 1xtu h TYR 174 Cb 0.61 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1xtu h TYR 174 CO -0.00 0.01 -0.04 0.78 -1.64 0.00 0.00 178.16 177.27 1xtu h GLY 175 N -0.22 -0.07 0.33 1.82 0.00 -1.27 0.26 103.07 103.93 1xtu h GLY 175 Ca -0.01 0.04 0.12 0.00 0.00 0.00 0.00 47.33 47.48 1xtu h GLY 175 CO 0.02 -0.04 0.38 -2.08 0.00 0.00 0.00 176.54 174.82 1xtu h VAL 176 N -0.08 0.78 -0.22 4.60 2.07 -1.15 0.32 116.25 122.56 1xtu h VAL 176 Ca 0.01 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1xtu h VAL 176 Cb 0.09 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1xtu h VAL 176 CO -0.02 0.11 -0.01 0.78 0.02 0.00 0.00 177.57 178.45 1xtu h ASN 177 N 0.59 0.40 -0.88 0.57 2.35 -1.03 -2.01 115.58 115.58 1xtu h ASN 177 Ca 0.40 -0.33 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1xtu h ASN 177 Cb 0.51 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.72 1xtu h ASN 177 CO -0.32 0.63 0.58 0.50 -1.65 0.00 0.00 177.43 177.17 1xtu h LYS 178 N 0.16 1.12 0.27 0.81 3.64 0.15 -2.11 116.57 120.62 1xtu h LYS 178 Ca 0.06 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1xtu h LYS 178 Cb 0.43 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1xtu h LYS 178 CO 0.01 0.74 -0.13 0.82 -2.27 0.00 0.00 179.45 178.63 1xtu h ILE 179 N 1.16 0.23 0.00 2.00 2.04 -0.88 -3.21 117.51 118.85 1xtu h ILE 179 Ca 0.33 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1xtu h ILE 179 Cb -0.08 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1xtu h ILE 179 CO -0.08 0.06 0.00 -0.07 0.00 0.00 0.00 178.15 178.06 1xtu h LEU 180 N -1.05 0.00 0.00 1.44 3.38 -1.37 0.20 115.31 117.90 1xtu h LEU 180 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xtu h LEU 180 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1xtu h LEU 180 CO 0.06 0.00 -0.95 0.77 0.09 0.00 0.00 178.44 178.41 1xtu h SER 181 N 0.00 0.00 0.25 -0.43 4.64 -1.48 -2.41 113.55 114.11 1xtu h SER 181 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1xtu h SER 181 Cb 0.06 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.10 1xtu h SER 181 CO 0.00 0.01 -2.01 1.17 -0.87 0.00 0.00 176.83 175.13 1xtu n LYS 182 N -2.71 0.67 -3.25 4.77 3.00 -0.30 -4.64 118.16 115.71 1xtu n LYS 182 Ca 0.00 0.20 -0.25 0.00 -0.00 0.00 0.00 58.31 58.26 1xtu n LYS 182 Cb 0.55 -1.68 -0.08 0.00 0.00 0.00 0.00 35.03 33.82 1xtu n LYS 182 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1xtu n TYR 183 N -3.07 0.13 0.31 5.64 4.02 0.54 -4.98 117.16 119.74 1xtu n TYR 183 Ca -0.26 -3.62 0.14 0.00 -0.01 0.00 0.00 57.90 54.15 1xtu n TYR 183 Cb 1.07 -0.32 0.72 0.00 -0.02 0.00 0.00 39.34 40.80 1xtu n TYR 183 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1xtu h PRO 184 N 4.22 0.00 -0.00 -0.72 0.11 -1.65 -1.04 132.00 132.92 1xtu h PRO 184 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1xtu h PRO 184 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1xtu h PRO 184 CO 0.50 0.00 -0.20 1.97 -0.21 0.00 0.00 178.00 180.07 1xtu n PHE 185 N -2.93 0.00 -2.31 0.65 1.16 -1.26 -3.17 117.46 109.60 1xtu n PHE 185 Ca -0.01 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.17 1xtu n PHE 185 Cb 0.48 -0.34 -0.03 0.00 -1.61 0.00 0.00 39.48 37.98 1xtu n PHE 185 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1xtu s ILE 186 N -2.87 3.14 -0.55 1.97 1.01 -0.39 -4.60 121.20 118.91 1xtu s ILE 186 Ca 0.17 1.13 -0.18 0.00 0.00 0.00 0.00 60.65 61.77 1xtu s ILE 186 Cb 0.19 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 39.04 1xtu s ILE 186 CO 0.57 0.25 0.62 -0.31 0.00 0.00 0.00 174.94 176.08 1xtu s TYR 187 N -1.18 3.08 -0.34 3.97 2.02 -0.47 -1.17 117.35 123.25 1xtu s TYR 187 Ca 0.47 -0.92 -0.16 0.00 -0.37 0.00 0.00 57.07 56.10 1xtu s TYR 187 Cb -0.35 -3.77 -0.01 0.00 -0.40 0.00 0.00 41.96 37.43 1xtu s TYR 187 CO 0.46 -1.13 0.41 -1.17 -1.57 0.00 0.00 175.55 172.55 1xtu s LEU 188 N 2.37 4.41 -0.14 -1.29 2.96 0.69 -0.80 118.68 126.88 1xtu s LEU 188 Ca 0.10 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1xtu s LEU 188 Cb -0.24 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 1xtu s LEU 188 CO 0.07 -0.38 0.03 -0.36 -1.32 0.00 0.00 176.35 174.39 1xtu s PHE 189 N 2.14 3.23 0.01 5.38 0.40 0.88 0.79 117.98 130.80 1xtu s PHE 189 Ca 0.14 0.11 -0.20 0.00 -0.60 0.00 0.00 56.93 56.38 1xtu s PHE 189 Cb -0.16 -1.94 0.04 0.00 0.51 0.00 0.00 43.02 41.47 1xtu s PHE 189 CO 0.12 0.31 0.45 -0.08 0.70 0.00 0.00 175.22 176.71 1xtu s THR 190 N -0.24 0.04 0.05 0.64 -1.32 0.31 -1.78 115.64 113.34 1xtu s THR 190 Ca 0.07 -0.34 0.06 0.00 -1.21 0.00 0.00 61.69 60.26 1xtu s THR 190 Cb -0.12 -0.86 -0.23 0.00 -1.51 0.00 0.00 72.50 69.78 1xtu s THR 190 CO 0.02 -0.19 1.00 0.58 -2.21 0.00 0.00 174.62 173.82 1xtu h VAL 191 N 3.26 1.33 -2.54 5.08 2.07 -1.33 0.88 116.25 124.99 1xtu h VAL 191 Ca -0.30 -3.06 -0.09 0.00 0.82 0.00 0.00 66.70 64.07 1xtu h VAL 191 Cb 1.18 2.71 -0.19 0.00 -1.52 0.00 0.00 31.29 33.47 1xtu h VAL 191 CO 0.41 0.80 -0.04 0.00 0.02 0.00 0.00 177.57 178.76 1xtu s ALA 192 N -2.65 -1.27 -0.30 1.67 0.00 -0.81 -4.35 121.76 114.05 1xtu s ALA 192 Ca -0.03 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 1xtu s ALA 192 Cb 0.09 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.32 1xtu s ALA 192 CO 0.83 -0.33 -0.02 0.42 0.00 0.00 0.00 175.76 176.67 1xtu s ILE 193 N -1.35 2.80 0.32 0.00 1.01 -1.26 -1.74 121.20 120.98 1xtu s ILE 193 Ca -0.12 -1.49 -0.14 0.00 0.00 0.00 0.00 60.65 58.90 1xtu s ILE 193 Cb -0.02 -2.64 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 1xtu s ILE 193 CO 0.06 -0.12 0.72 -1.81 0.00 0.00 0.00 174.94 173.79 1xtu s ASP 194 N 1.23 6.74 0.07 3.58 1.01 -0.55 -4.81 116.67 123.94 1xtu s ASP 194 Ca -0.05 1.24 -0.26 0.00 0.71 0.00 0.00 52.55 54.19 1xtu s ASP 194 Cb -0.20 -2.36 -0.17 0.00 1.01 0.00 0.00 42.92 41.21 1xtu s ASP 194 CO -0.02 -0.21 1.63 1.55 0.21 0.00 0.00 175.17 178.33 1xtu h PRO 195 N 2.19 -0.27 -4.93 8.23 0.13 -1.89 -0.82 132.00 134.64 1xtu h PRO 195 Ca -0.48 0.02 -0.39 0.00 -0.87 0.00 0.00 66.00 64.28 1xtu h PRO 195 Cb 1.17 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 1xtu h PRO 195 CO 0.66 -0.13 -0.59 -1.83 -0.23 0.00 0.00 178.00 175.88 1xtu s GLU 196 N -5.87 1.52 0.20 0.86 -1.05 -1.21 -4.34 118.70 108.80 1xtu s GLU 196 Ca -0.15 -1.84 0.11 0.00 -0.15 0.00 0.00 54.97 52.95 1xtu s GLU 196 Cb 0.05 -0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.38 1xtu s GLU 196 CO 0.64 -0.33 -0.23 -0.51 0.95 0.00 0.00 175.26 175.78 1xtu s LEU 197 N -3.37 2.45 0.00 1.83 1.43 -1.26 0.06 118.68 119.83 1xtu s LEU 197 Ca 0.36 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1xtu s LEU 197 Cb 0.07 -1.14 0.04 0.00 0.03 0.00 0.00 46.19 45.19 1xtu s LEU 197 CO 0.15 0.10 0.35 -0.46 0.23 0.00 0.00 176.35 176.72 1xtu n ASN 198 N 0.15 0.86 0.30 2.29 0.23 -0.45 -4.88 115.26 113.76 1xtu n ASN 198 Ca -0.12 -1.63 0.18 0.00 -0.53 0.00 0.00 54.58 52.48 1xtu n ASN 198 Cb 0.57 -0.19 0.90 0.00 -2.08 0.00 0.00 39.78 38.98 1xtu n ASN 198 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1xtu h ASN 199 N 0.01 0.00 0.32 0.53 2.35 -1.86 -1.35 115.58 115.57 1xtu h ASN 199 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1xtu h ASN 199 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1xtu h ASN 199 CO 0.16 0.04 -0.43 0.29 -1.65 0.00 0.00 177.43 175.84 1xtu n LYS 200 N -3.27 0.43 -0.84 0.81 5.02 -1.26 -2.30 118.16 116.75 1xtu n LYS 200 Ca -0.02 -0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.00 1xtu n LYS 200 Cb 0.19 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1xtu n LYS 200 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xtu n GLY 201 N 1.43 1.28 3.72 0.72 0.00 -0.51 -4.53 105.19 107.29 1xtu n GLY 201 Ca 0.08 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1xtu n GLY 201 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xtu s TYR 202 N -2.08 3.19 0.09 1.61 1.51 -1.26 -4.77 117.35 115.64 1xtu s TYR 202 Ca 0.00 0.17 -0.31 0.00 -1.01 0.00 0.00 57.07 55.93 1xtu s TYR 202 Cb 0.00 -1.74 -0.07 0.00 -0.11 0.00 0.00 41.96 40.05 1xtu s TYR 202 CO 0.00 0.50 1.24 0.42 -1.11 0.00 0.00 175.55 176.60 1xtu s ILE 203 N -1.06 3.80 -0.14 2.71 1.01 -1.26 -1.34 121.20 124.93 1xtu s ILE 203 Ca 0.19 1.33 0.01 0.00 0.00 0.00 0.00 60.65 62.17 1xtu s ILE 203 Cb -0.12 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 1xtu s ILE 203 CO 0.09 0.12 -0.17 -0.76 0.00 0.00 0.00 174.94 174.22 1xtu s LEU 204 N 0.85 2.46 0.22 2.97 1.43 0.11 -2.42 118.68 124.29 1xtu s LEU 204 Ca 0.59 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1xtu s LEU 204 Cb -0.32 -1.54 0.18 0.00 0.03 0.00 0.00 46.19 44.55 1xtu s LEU 204 CO 0.31 0.13 1.71 -0.65 0.23 0.00 0.00 176.35 178.07 1xtu h PRO 205 N 6.99 1.00 0.00 1.29 0.11 -1.95 -3.21 132.00 136.24 1xtu h PRO 205 Ca -0.28 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1xtu h PRO 205 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1xtu h PRO 205 CO 0.54 0.95 0.00 0.41 -0.21 0.00 0.00 178.00 179.69 1xtu n GLY 206 N -0.59 1.36 0.50 -0.55 0.00 -1.02 -4.56 105.19 100.33 1xtu n GLY 206 Ca 0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 1xtu n GLY 206 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xtu n LEU 207 N 0.00 -0.00 0.00 0.99 -0.00 -1.26 -4.73 117.00 111.99 1xtu n LEU 207 Ca 0.00 -1.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.00 1xtu n LEU 207 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xtu n LEU 207 CO 0.00 0.75 0.00 0.61 -0.00 0.00 0.00 177.39 178.75 1xtu n GLY 208 N 0.00 -1.72 3.60 1.47 0.00 -1.26 -4.79 105.19 102.49 1xtu n GLY 208 Ca -0.00 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1xtu n GLY 208 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xtu s ASP 209 N -4.00 6.59 0.23 1.61 2.15 -1.26 -4.92 116.67 117.07 1xtu s ASP 209 Ca 0.00 0.46 -0.07 0.00 0.43 0.00 0.00 52.55 53.37 1xtu s ASP 209 Cb 0.00 -2.40 0.41 0.00 -0.30 0.00 0.00 42.92 40.63 1xtu s ASP 209 CO 0.00 -0.70 1.68 0.00 -0.17 0.00 0.00 175.17 175.98 1xtu h ALA 210 N 8.36 0.85 -0.36 3.66 0.00 -1.98 0.15 119.26 129.93 1xtu h ALA 210 Ca -0.25 0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xtu h ALA 210 Cb 1.09 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1xtu h ALA 210 CO 0.90 -0.35 0.18 0.78 0.00 0.00 0.00 179.25 180.76 1xtu h GLY 211 N 0.22 0.49 0.97 0.00 0.00 -1.94 -0.89 103.07 101.93 1xtu h GLY 211 Ca 0.39 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 1xtu h GLY 211 CO -0.52 0.10 -0.10 -1.80 0.00 0.00 0.00 176.54 174.22 1xtu h ASP 212 N 0.37 0.77 0.33 0.19 1.82 -1.65 0.13 116.42 118.38 1xtu h ASP 212 Ca 0.15 -0.36 -0.01 0.00 -0.39 0.00 0.00 57.03 56.42 1xtu h ASP 212 Cb 0.06 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 39.86 1xtu h ASP 212 CO -0.10 0.95 -0.06 0.03 -1.61 0.00 0.00 179.24 178.45 1xtu h ARG 213 N 0.57 0.00 0.00 0.28 2.47 -0.44 0.31 114.38 117.57 1xtu h ARG 213 Ca 0.10 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.44 1xtu h ARG 213 Cb 0.62 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.87 1xtu h ARG 213 CO 0.04 0.06 -2.39 0.00 0.56 0.00 0.00 179.97 178.23 1xtu n ALA 214 N -2.21 1.46 -0.06 0.04 0.00 -0.37 -3.76 120.51 115.62 1xtu n ALA 214 Ca -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1xtu n ALA 214 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xtu n ALA 214 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xtu n PHE 215 N -2.98 0.00 1.85 0.00 3.01 0.45 -4.68 117.46 115.10 1xtu n PHE 215 Ca -0.37 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.23 1xtu n PHE 215 Cb 1.09 0.00 0.88 0.00 -0.01 0.00 0.00 39.48 41.44 1xtu n PHE 215 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18